*HEADER    TRANSFERASE                             03-DEC-01   1KIK              
*TITLE     SH3 DOMAIN OF LYMPHOCYTE SPECIFIC KINASE (LCK)                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN (RESIDUES 64-120);                              
*COMPND   5 SYNONYM: P56-LCK, LSK, T CELL-SPECIFIC PROTEIN-TYROSINE              
*COMPND   6 KINASE;                                                              
*COMPND   7 EC: 2.7.1.112;                                                       
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-2                                 
*KEYWDS    SH3 DOMAIN, TYROSINE KINASE, SIGNAL TRANSDUCTION, LCK                 
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    L.BRIESE, D.WILLBOLD                                                  
*REVDAT   1   13-MAY-03 1KIK    0                                                

 ASSI {   23}
   ((resid 97   and name HE1 ))
   ((resid 97   and name HZ2 ))
      2.500     0.800     0.800 peak    23 weight  0.10000E+01 volume  0.38350E-02 ppm1      9.963 ppm2      7.393 CV     1
 ASSI {   24}
   ((resid 97   and name HE1 ))
   ((resid 97   and name HH2 ))
      4.400     2.500     1.600 peak    24 weight  0.10000E+01 volume  0.13264E-03 ppm1      9.963 ppm2      7.250 CV     1
 ASSI {   26}
   ((resid 97   and name HE1 ))
   ((resid 97   and name HD1 ))
      2.100     0.500     0.500 peak    26 weight  0.10000E+01 volume  0.12358E-01 ppm1      9.964 ppm2      7.082 CV     1
 ASSI {   28}
   ((resid 97   and name HE1 ))
   ((resid 96   and name HB3 ))
      3.600     1.700     1.700 peak    28 weight  0.10000E+01 volume  0.42928E-03 ppm1      9.965 ppm2      1.725 CV     1
 ASSI {   37}
   ((resid 111  and name HN  ))
   ( resid 110  and name HD% )
      3.300     1.300     1.300 peak    37 weight  0.10000E+01 volume  0.84382E-03 ppm1      9.568 ppm2      7.158 CV     1
 ASSI {   43}
   ((resid 111  and name HN  ))
   ((resid 110  and name HB2 ))
      3.100     1.200     1.200 peak    43 weight  0.10000E+01 volume  0.10316E-02 ppm1      9.571 ppm2      3.137 CV     1
 ASSI {   51}
   ((resid 98   and name HE1 ))
   ((resid 98   and name HZ2 ))
      3.000     1.100     1.100 peak    51 weight  0.10000E+01 volume  0.14568E-02 ppm1      9.532 ppm2      7.403 CV     1
 ASSI {   53}
   ((resid 98   and name HE1 ))
   ((resid 98   and name HD1 ))
      2.100     0.600     0.600 peak    53 weight  0.10000E+01 volume  0.10538E-01 ppm1      9.528 ppm2      6.883 CV     1
 ASSI {   55}
   ((resid 98   and name HE1 ))
   ((resid 95   and name HA1 ))
      3.400     1.500     1.500 peak    55 weight  0.10000E+01 volume  0.59922E-03 ppm1      9.529 ppm2      3.784 CV     1
 ASSI {   57}
   ((resid 98   and name HE1 ))
   ((resid 93   and name HB3 ))
      3.800     1.800     1.800 peak    57 weight  0.10000E+01 volume  0.33655E-03 ppm1      9.530 ppm2      1.149 CV     1
 ASSI {   58}
   ((resid 98   and name HE1 ))
   ((resid 113  and name HB2 ))
      3.400     1.500     1.500 peak    58 weight  0.10000E+01 volume  0.60795E-03 ppm1      9.529 ppm2      1.094 CV     1
 ASSI {   60}
   ((resid 98   and name HE1 ))
   ((resid 98   and name HE3 ))
      3.700     1.700     1.700 peak    60 weight  0.10000E+01 volume  0.38467E-03 ppm1      9.530 ppm2      7.201 CV     1
 ASSI {   63}
   ((resid 98   and name HE1 ))
   ((resid 93   and name HG3 ))
      3.900     1.900     1.900 peak    63 weight  0.10000E+01 volume  0.27943E-03 ppm1      9.531 ppm2      0.968 CV     1
 ASSI {   66}
   ((resid 69   and name HN  ))
   ((resid 117  and name HN  ))
      4.400     2.100     1.900 peak    66 weight  0.10000E+01 volume  0.20443E-03 ppm1      9.448 ppm2      8.540 CV     1
 ASSI {   68}
   ((resid 69   and name HN  ))
   ((resid 116  and name HA  ))
      2.700     0.900     0.900 peak    68 weight  0.10000E+01 volume  0.23469E-02 ppm1      9.446 ppm2      5.243 CV     1
 ASSI {   69}
   ((resid 69   and name HN  ))
   ((resid 68   and name HA  ))
      2.200     0.600     0.600 peak    69 weight  0.10000E+01 volume  0.92794E-02 ppm1      9.445 ppm2      4.527 CV     1
 ASSI {   75}
   ((resid 69   and name HN  ))
   ( resid 69   and name HD2%)
      2.900     1.000     1.000 peak    75 weight  0.10000E+01 volume  0.18364E-02 ppm1      9.445 ppm2      0.662 CV     1
 ASSI {   82}
   ((resid 100  and name HN  ))
   ((resid 99   and name HB2 ))
      3.700     1.700     1.700 peak    82 weight  0.10000E+01 volume  0.37274E-03 ppm1      9.400 ppm2      1.560 CV     1
 ASSI {   84}
   ((resid 100  and name HN  ))
   ((resid 99   and name HD2 ))
      3.000     1.100     1.100 peak    84 weight  0.10000E+01 volume  0.13518E-02 ppm1      9.397 ppm2      1.097 CV     1
 ASSI {   85}
   ((resid 100  and name HN  ))
   ( resid 90   and name HD1%)
      3.100     1.200     1.200 peak    85 weight  0.10000E+01 volume  0.10597E-02 ppm1      9.401 ppm2      0.747 CV     1
 ASSI {   86}
   ((resid 100  and name HN  ))
   ( resid 91   and name HD2%)
      4.500     2.500     1.500 peak    86 weight  0.10000E+01 volume  0.12077E-03 ppm1      9.401 ppm2      0.666 CV     1
 ASSI {   95}
   ((resid 91   and name HN  ))
   ((resid 101  and name HN  ))
      3.200     1.300     1.300 peak    95 weight  0.10000E+01 volume  0.94751E-03 ppm1      9.212 ppm2      8.943 CV     1
 ASSI {   98}
   ((resid 91   and name HN  ))
   ((resid 91   and name HA  ))
      2.600     0.800     0.800 peak    98 weight  0.10000E+01 volume  0.34972E-02 ppm1      9.216 ppm2      4.330 CV     1
 ASSI {  100}
   ((resid 91   and name HN  ))
   ((resid 91   and name HB2 ))
      2.700     0.900     0.900 peak   100 weight  0.10000E+01 volume  0.25719E-02 ppm1      9.214 ppm2      1.564 CV     1
 ASSI {  101}
   ((resid 91   and name HN  ))
   ((resid 91   and name HG  ))
      2.000     0.900     0.900 peak   101 weight  0.10000E+01 volume  0.30440E-02 ppm1      9.213 ppm2      1.461 CV     1
 ASSI {  102}
   ((resid 91   and name HN  ))
   ((resid 91   and name HB3 ))
      3.700     0.800     0.800 peak   102 weight  0.10000E+01 volume  0.40489E-02 ppm1      9.211 ppm2      1.227 CV     1
 ASSI {  103}
   ((resid 91   and name HN  ))
   ( resid 90   and name HD1%)
      3.000     1.100     1.100 peak   103 weight  0.10000E+01 volume  0.14718E-02 ppm1      9.214 ppm2      0.734 CV     1
 ASSI {  104}
   ((resid 91   and name HN  ))
   ( resid 91   and name HD2%)
      2.800     1.000     1.000 peak   104 weight  0.10000E+01 volume  0.20574E-02 ppm1      9.213 ppm2      0.673 CV     1
 OR {  104}
   ((resid 91   and name HN  ))
   ( resid 91   and name HD1%)
 ASSI {  114}
   ((resid 80   and name HN  ))
   ((resid 110  and name HN  ))
      3.000     1.100     1.100 peak   114 weight  0.10000E+01 volume  0.14815E-02 ppm1      9.089 ppm2      8.698 CV     1
 ASSI {  116}
   ((resid 80   and name HN  ))
   ((resid 80   and name HA  ))
      3.200     1.200     1.200 peak   116 weight  0.10000E+01 volume  0.10212E-02 ppm1      9.089 ppm2      4.514 CV     1
 ASSI {  120}
   ((resid 80   and name HN  ))
   ( resid 111  and name HG2%)
      3.300     1.300     1.300 peak   120 weight  0.10000E+01 volume  0.80405E-03 ppm1      9.089 ppm2      1.106 CV     1
 ASSI {  131}
   ((resid 66   and name HN  ))
   ((resid 66   and name HB  ))
      3.600     1.700     1.700 peak   131 weight  0.10000E+01 volume  0.42530E-03 ppm1      9.037 ppm2      2.011 CV     1
 ASSI {  132}
   ((resid 66   and name HN  ))
   ((resid 65   and name HB3 ))
      3.000     1.100     1.100 peak   132 weight  0.10000E+01 volume  0.15174E-02 ppm1      9.037 ppm2      1.665 CV     1
 ASSI {  137}
   ((resid 66   and name HN  ))
   ((resid 88   and name HN  ))
      2.600     0.800     0.800 peak   137 weight  0.10000E+01 volume  0.33016E-02 ppm1      9.039 ppm2      8.770 CV     1
 ASSI {  140}
   ((resid 66   and name HN  ))
   ((resid 65   and name HA  ))
      1.900     0.500     0.500 peak   140 weight  0.10000E+01 volume  0.18364E-01 ppm1      9.035 ppm2      5.177 CV     1
 ASSI {  141}
   ((resid 66   and name HN  ))
   ((resid 66   and name HA  ))
      2.400     0.700     0.700 peak   141 weight  0.10000E+01 volume  0.48920E-02 ppm1      9.041 ppm2      4.965 CV     1
 ASSI {  142}
   ((resid 66   and name HN  ))
   ((resid 65   and name HG  ))
      3.200     1.300     1.300 peak   142 weight  0.10000E+01 volume  0.85621E-03 ppm1      9.035 ppm2      1.528 CV     1
 ASSI {  143}
   ((resid 66   and name HN  ))
   ((resid 65   and name HB2 ))
      2.700     0.900     0.900 peak   143 weight  0.10000E+01 volume  0.27681E-02 ppm1      9.039 ppm2      1.388 CV     1
 ASSI {  144}
   ((resid 66   and name HN  ))
   ( resid 66   and name HG1%)
      2.400     0.700     0.700 peak   144 weight  0.10000E+01 volume  0.55657E-02 ppm1      9.037 ppm2      0.769 CV     1
 ASSI {  146}
   ((resid 66   and name HN  ))
   ( resid 66   and name HG2%)
      2.300     0.600     0.600 peak   146 weight  0.10000E+01 volume  0.71601E-02 ppm1      9.035 ppm2      0.584 CV     1
 ASSI {  147}
   ((resid 98   and name HN  ))
   ((resid 111  and name HN  ))
      3.300     1.300     1.300 peak   147 weight  0.10000E+01 volume  0.81774E-03 ppm1      9.019 ppm2      9.570 CV     1
 ASSI {  153}
   ((resid 98   and name HN  ))
   ((resid 98   and name HB2 ))
      2.600     0.800     0.800 peak   153 weight  0.10000E+01 volume  0.36114E-02 ppm1      9.019 ppm2      2.958 CV     1
 ASSI {  159}
   ((resid 83   and name HN  ))
   ( resid 82   and name HD% )
      3.000     1.200     1.200 peak   159 weight  0.10000E+01 volume  0.12663E-02 ppm1      8.985 ppm2      6.966 CV     1
 ASSI {  160}
   ((resid 83   and name HN  ))
   ((resid 82   and name HA  ))
      2.100     0.500     0.500 peak   160 weight  0.10000E+01 volume  0.13068E-01 ppm1      8.983 ppm2      5.022 CV     1
 ASSI {  161}
   ((resid 83   and name HN  ))
   ((resid 83   and name HA  ))
      2.800     1.000     1.000 peak   161 weight  0.10000E+01 volume  0.19315E-02 ppm1      8.983 ppm2      4.758 CV     1
 ASSI {  162}
   ((resid 83   and name HN  ))
   ((resid 82   and name HB3 ))
      2.500     0.800     0.800 peak   162 weight  0.10000E+01 volume  0.37698E-02 ppm1      8.981 ppm2      3.258 CV     1
 ASSI {  163}
   ((resid 83   and name HN  ))
   ((resid 82   and name HB2 ))
      2.300     0.700     0.700 peak   163 weight  0.10000E+01 volume  0.65471E-02 ppm1      8.985 ppm2      2.891 CV     1
 ASSI {  164}
   ((resid 83   and name HN  ))
   ((resid 86   and name HG2 ))
      3.000     1.100     1.100 peak   164 weight  0.10000E+01 volume  0.15012E-02 ppm1      8.987 ppm2      2.472 CV     1
 ASSI {  165}
   ((resid 83   and name HN  ))
   ((resid 86   and name HG3 ))
      2.200     0.600     0.600 peak   165 weight  0.10000E+01 volume  0.79099E-02 ppm1      8.983 ppm2      2.366 CV     1
 ASSI {  166}
   ((resid 83   and name HN  ))
   ((resid 83   and name HB2 ))
      2.500     0.800     0.800 peak   166 weight  0.10000E+01 volume  0.44949E-02 ppm1      8.985 ppm2      2.110 CV     1
 ASSI {  167}
   ((resid 83   and name HN  ))
   ((resid 83   and name HB3 ))
      2.500     0.800     0.800 peak   167 weight  0.10000E+01 volume  0.45210E-02 ppm1      8.983 ppm2      1.934 CV     1
 ASSI {  173}
   ((resid 67   and name HN  ))
   ((resid 117  and name HN  ))
      2.800     0.700     0.700 peak   173 weight  0.10000E+01 volume  0.55220E-02 ppm1      8.960 ppm2      8.540 CV     1
 ASSI {  176}
   ((resid 67   and name HN  ))
   ((resid 116  and name HA  ))
      3.500     1.500     1.500 peak   176 weight  0.10000E+01 volume  0.56557E-03 ppm1      8.957 ppm2      5.233 CV     1
 ASSI {  177}
   ((resid 67   and name HN  ))
   ((resid 66   and name HA  ))
      2.000     0.500     0.500 peak   177 weight  0.10000E+01 volume  0.16054E-01 ppm1      8.960 ppm2      4.948 CV     1
 ASSI {  178}
   ((resid 67   and name HN  ))
   ((resid 118  and name HA  ))
      3.000     1.100     1.100 peak   178 weight  0.10000E+01 volume  0.13055E-02 ppm1      8.962 ppm2      4.249 CV     1
 ASSI {  179}
   ((resid 67   and name HN  ))
   ((resid 66   and name HB  ))
      2.200     0.600     0.600 peak   179 weight  0.10000E+01 volume  0.89990E-02 ppm1      8.960 ppm2      2.014 CV     1
 ASSI {  180}
   ((resid 67   and name HN  ))
   ((resid 116  and name HB  ))
      3.000     1.100     1.100 peak   180 weight  0.10000E+01 volume  0.14750E-02 ppm1      8.955 ppm2      1.770 CV     1
 ASSI {  181}
   ((resid 67   and name HN  ))
   ((resid 67   and name HB  ))
      2.600     0.800     0.800 peak   181 weight  0.10000E+01 volume  0.34451E-02 ppm1      8.957 ppm2      1.542 CV     1
 ASSI {  182}
   ((resid 67   and name HN  ))
   ((resid 67   and name HG13))
      3.000     1.100     1.100 peak   182 weight  0.10000E+01 volume  0.13407E-02 ppm1      8.957 ppm2      1.345 CV     1
 ASSI {  183}
   ((resid 67   and name HN  ))
   ( resid 119  and name HB% )
      6.000     1.400     1.400 peak   183 weight  0.10000E+01 volume  0.65797E-03 ppm1      8.957 ppm2      1.243 CV     1
 ASSI {  185}
   ((resid 67   and name HN  ))
   ( resid 67   and name HG2%)
      3.600     1.700     1.000 peak   185 weight  0.10000E+01 volume  0.61565E-02 ppm1      8.957 ppm2      0.770 CV     1
 ASSI {  186}
   ((resid 67   and name HN  ))
   ( resid 116  and name HG2%)
      3.300     1.300     1.300 peak   186 weight  0.10000E+01 volume  0.81186E-03 ppm1      8.960 ppm2      0.676 CV     1
 ASSI {  187}
   ((resid 67   and name HN  ))
   ( resid 66   and name HG2%)
      2.900     1.100     1.100 peak   187 weight  0.10000E+01 volume  0.15546E-02 ppm1      8.960 ppm2      0.585 CV     1
 ASSI {  190}
   ((resid 101  and name HN  ))
   ((resid 89   and name HN  ))
      2.400     0.700     0.700 peak   190 weight  0.10000E+01 volume  0.53231E-02 ppm1      8.959 ppm2      8.754 CV     1
 ASSI {  192}
   ((resid 101  and name HN  ))
   ((resid 100  and name HA  ))
 2.100     0.600     0.600 peak   192 weight  0.10000E+01 volume  0.11484E-01 ppm1      8.961 ppm2      5.452 CV     1
 ASSI {  193}
   ((resid 101  and name HN  ))
   ((resid 101  and name HA  ))
      2.700     0.900     0.900 peak   193 weight  0.10000E+01 volume  0.24017E-02 ppm1      8.959 ppm2      5.270 CV     1
 ASSI {  194}
   ((resid 101  and name HN  ))
   ((resid 90   and name HA  ))
      3.200     1.300     1.300 peak   194 weight  0.10000E+01 volume  0.92794E-03 ppm1      8.957 ppm2      4.243 CV     1
 ASSI {  195}
   ((resid 101  and name HN  ))
   ((resid 101  and name HB3 ))
      2.400     0.700     0.700 peak   195 weight  0.10000E+01 volume  0.53472E-02 ppm1      8.959 ppm2      1.955 CV     1
 ASSI {  196}
   ((resid 101  and name HN  ))
   ((resid 101  and name HB2 ))
      2.500     0.800     0.800 peak   196 weight  0.10000E+01 volume  0.43359E-02 ppm1      8.959 ppm2      1.710 CV     1
 ASSI {  197}
   ((resid 101  and name HN  ))
   ((resid 89   and name HG2 ))
      2.800     1.000     1.000 peak   197 weight  0.10000E+01 volume  0.18826E-02 ppm1      8.959 ppm2      1.462 CV     1
 ASSI {  198}
   ((resid 101  and name HN  ))
   ( resid 100  and name HB% )
  3.6  1  1
 ASSI {  199}
   ((resid 101  and name HN  ))
   ((resid 88   and name HB2 ))
      3.100     1.200     1.200 peak   199 weight  0.10000E+01 volume  0.10427E-02 ppm1      8.955 ppm2      1.098 CV     1
 ASSI {  200}
   ((resid 101  and name HN  ))
   ( resid 91   and name HD2%)
      2.700     0.900     0.900 peak   200 weight  0.10000E+01 volume  0.28490E-02 ppm1      8.959 ppm2      0.674 CV     1
 ASSI {  203}
   ((resid 90   and name HN  ))
   ((resid 65   and name HA  ))
      3.000     1.100     1.100 peak   203 weight  0.10000E+01 volume  0.13453E-02 ppm1      8.940 ppm2      5.170 CV     1
 ASSI {  204}
   ((resid 90   and name HN  ))
   ((resid 89   and name HA  ))
      2.000     0.500     0.500 peak   204 weight  0.10000E+01 volume  0.14536E-01 ppm1      8.940 ppm2      4.993 CV     1
 ASSI {  206}
   ((resid 90   and name HN  ))
   ((resid 64   and name HB2 ))
      3.100     1.200     1.200 peak   206 weight  0.10000E+01 volume  0.12384E-02 ppm1      8.940 ppm2      2.948 CV     1
 ASSI {  207}
   ((resid 90   and name HN  ))
   ((resid 64   and name HB3 ))
      3.100     1.200     1.200 peak   207 weight  0.10000E+01 volume  0.11125E-02 ppm1      8.941 ppm2      2.855 CV     1
 ASSI {  208}
   ((resid 90   and name HN  ))
   ((resid 90   and name HB  ))
      2.300     0.700     0.700 peak   208 weight  0.10000E+01 volume  0.65406E-02 ppm1      8.939 ppm2      1.970 CV     1
 ASSI {  209}
   ((resid 90   and name HN  ))
   ((resid 90   and name HG13))
      3.5     0.700     0.700 peak   209 weight  0.10000E+01 volume  0.65002E-02 ppm1      8.939 ppm2      1.571 CV     1
 ASSI {  210}
   ((resid 90   and name HN  ))
   ((resid 89   and name HG2 ))
      2.800     1.000     1.000 peak   210 weight  0.10000E+01 volume  0.19556E-02 ppm1      8.940 ppm2      1.464 CV     1
 ASSI {  211}
   ((resid 90   and name HN  ))
   ((resid 90   and name HG12))
      2.500     0.800     0.800 peak   211 weight  0.10000E+01 volume  0.40717E-02 ppm1      8.940 ppm2      1.269 CV     1
 ASSI {  212}
   ((resid 90   and name HN  ))
   ( resid 90   and name HD1%)
      2.600     0.800     0.800 peak   212 weight  0.10000E+01 volume  0.33453E-02 ppm1      8.941 ppm2      0.746 CV     1
 ASSI {  214}
   ((resid 90   and name HN  ))
   ((resid 89   and name HN  ))
      3.300     1.300     1.300 peak   214 weight  0.10000E+01 volume  0.80273E-03 ppm1      8.941 ppm2      8.749 CV     1
 ASSI {  215}
   ((resid 90   and name HN  ))
   ( resid 90   and name HG2%)
      2.800     1.000     1.000 peak   215 weight  0.10000E+01 volume  0.21102E-02 ppm1      8.938 ppm2      0.560 CV     1
 ASSI {  240}
   ((resid 78   and name HN  ))
   ((resid 79   and name HN  ))
      2.700     0.900     0.900 peak   240 weight  0.10000E+01 volume  0.24461E-02 ppm1      8.853 ppm2      7.862 CV     1
 ASSI {  242}
   ((resid 78   and name HN  ))
   ((resid 77   and name HA  ))
      2.100     0.600     0.600 peak   242 weight  0.10000E+01 volume  0.11066E-01 ppm1      8.857 ppm2      4.392 CV     1
 ASSI {  243}
   ((resid 78   and name HN  ))
   ((resid 78   and name HA1 ))
      2.500     0.800     0.800 peak   243 weight  0.10000E+01 volume  0.41233E-02 ppm1      8.857 ppm2      3.936 CV     1
 ASSI {  244}
   ((resid 78   and name HN  ))
   ((resid 77   and name HB2 ))
      3.200     1.300     1.300 peak   244 weight  0.10000E+01 volume  0.85555E-03 ppm1      8.855 ppm2      2.584 CV     1
 ASSI {  248}
   ((resid 103  and name HN  ))
   ((resid 102  and name HN  ))
      3.400     1.400     1.400 peak   248 weight  0.10000E+01 volume  0.69449E-03 ppm1      8.870 ppm2      8.753 CV     1
 ASSI {  253}
   ((resid 103  and name HN  ))
   ((resid 102  and name HA  ))
      2.100     0.600     0.600 peak   253 weight  0.10000E+01 volume  0.10193E-01 ppm1      8.871 ppm2      4.667 CV     1
 ASSI {  254}
   ((resid 103  and name HN  ))
   ((resid 103  and name HA  ))
      2.500     0.800     0.800 peak   254 weight  0.10000E+01 volume  0.36537E-02 ppm1      8.873 ppm2      4.286 CV     1
 ASSI {  256}
   ((resid 103  and name HN  ))
   ((resid 103  and name HB2 ))
      2.100     0.500     0.500 peak   256 weight  0.10000E+01 volume  0.12455E-01 ppm1      8.871 ppm2      1.713 CV     1
 ASSI {  257}
   ((resid 103  and name HN  ))
   ( resid 103  and name HD1%)
      2.800     1.000     1.000 peak   257 weight  0.10000E+01 volume  0.22432E-02 ppm1      8.869 ppm2      0.817 CV     1
 ASSI {  276}
   ((resid 85   and name HN  ))
   ((resid 68   and name HN  ))
      3.400     1.500     1.500 peak   276 weight  0.10000E+01 volume  0.62413E-03 ppm1      8.824 ppm2      8.516 CV     1
 ASSI {  279}
   ((resid 85   and name HN  ))
   ((resid 85   and name HA2 ))
      2.400     0.700     0.700 peak   279 weight  0.10000E+01 volume  0.47596E-02 ppm1      8.824 ppm2      4.349 CV     1
 ASSI {  280}
   ((resid 85   and name HN  ))
   ((resid 85   and name HA1 ))
      2.200     0.600     0.600 peak   280 weight  0.10000E+01 volume  0.98533E-02 ppm1      8.830 ppm2      3.475 CV     1
 ASSI {  281}
   ((resid 85   and name HN  ))
   ((resid 84   and name HA  ))
      2.000     0.500     0.500 peak   281 weight  0.10000E+01 volume  0.14828E-01 ppm1      8.829 ppm2      3.346 CV     1
 ASSI {  282}
   ((resid 85   and name HN  ))
   ( resid 68   and name HB% )
      2.200     0.600     0.600 peak   282 weight  0.10000E+01 volume  0.81709E-02 ppm1      8.821 ppm2      1.660 CV     1
 ASSI {  283}
   ((resid 85   and name HN  ))
   ((resid 84   and name HG3 ))
      2.900     1.000     1.000 peak   283 weight  0.10000E+01 volume  0.17033E-02 ppm1      8.821 ppm2      1.174 CV     1
 ASSI {  284}
   ((resid 85   and name HN  ))
   ((resid 84   and name HG2 ))
      2.800     1.000     1.000 peak   284 weight  0.10000E+01 volume  0.18787E-02 ppm1      8.826 ppm2      1.034 CV     1
 ASSI {  285}
   ((resid 85   and name HN  ))
   ( resid 67   and name HG2%)
      3.300     1.300     1.300 peak   285 weight  0.10000E+01 volume  0.79947E-03 ppm1      8.829 ppm2      0.765 CV     1
 ASSI {  298}
   ((resid 77   and name HN  ))
   ((resid 76   and name HB3 ))
      3.900     1.900     1.900 peak   298 weight  0.10000E+01 volume  0.28810E-03 ppm1      8.790 ppm2      3.150 CV     1
 ASSI {  299}
   ((resid 77   and name HN  ))
   ((resid 77   and name HB3 ))
      2.900     1.100     1.100 peak   299 weight  0.10000E+01 volume  0.16061E-02 ppm1      8.790 ppm2      2.588 CV     1
 ASSI {  303}
   ((resid 88   and name HN  ))
   ((resid 87   and name HA  ))
      2.000     0.500     0.500 peak   303 weight  0.10000E+01 volume  0.16603E-01 ppm1      8.777 ppm2      5.225 CV     1
 ASSI {  304}
   ((resid 88   and name HN  ))
   ((resid 88   and name HA  ))
      2.800     1.000     1.000 peak   304 weight  0.10000E+01 volume  0.19322E-02 ppm1      8.775 ppm2      5.030 CV     1
 ASSI {  305}
   ((resid 88   and name HN  ))
   ((resid 67   and name HA  ))
      2.800     1.000     1.000 peak   305 weight  0.10000E+01 volume  0.20261E-02 ppm1      8.775 ppm2      4.901 CV     1
 ASSI {  306}
   ((resid 88   and name HN  ))
   ((resid 87   and name HB3 ))
      3.300     1.300     1.300 peak   306 weight  0.10000E+01 volume  0.84447E-03 ppm1      8.776 ppm2      2.091 CV     1
 ASSI {  307}
   ((resid 88   and name HN  ))
   ((resid 87   and name HB2 ))
      2.700     0.900     0.900 peak   307 weight  0.10000E+01 volume  0.26795E-02 ppm1      8.775 ppm2      2.002 CV     1
 ASSI {  308}
   ((resid 88   and name HN  ))
   ((resid 88   and name HG  ))
      2.700     0.900     0.900 peak   308 weight  0.10000E+01 volume  0.26528E-02 ppm1      8.775 ppm2      1.328 CV     1
 ASSI {  311}
   ((resid 88   and name HN  ))
   ( resid 65   and name HD1%)
      3.200     1.300     1.300 peak   311 weight  0.10000E+01 volume  0.85686E-03 ppm1      8.777 ppm2      0.826 CV     1
 ASSI {  313}
   ((resid 88   and name HN  ))
   ( resid 66   and name HG2%)
      2.700     0.900     0.900 peak   313 weight  0.10000E+01 volume  0.27525E-02 ppm1      8.774 ppm2      0.590 CV     1
 ASSI {  314}
   ((resid 102  and name HN  ))
   ((resid 101  and name HN  ))
      5.800     4.300     0.200 peak   314 weight  0.10000E+01 volume  0.25015E-04 ppm1      8.768 ppm2      8.954 CV     1
 ASSI {  318}
   ((resid 102  and name HN  ))
   ((resid 106  and name HN  ))
      3.800     1.800     1.800 peak   318 weight  0.10000E+01 volume  0.31170E-03 ppm1      8.760 ppm2      7.664 CV     1
 ASSI {  319}
   ((resid 102  and name HN  ))
   ((resid 108  and name HA  ))
      2.800     1.000     1.000 peak   319 weight  0.10000E+01 volume  0.19524E-02 ppm1      8.771 ppm2      5.682 CV     1
 ASSI {  320}
   ((resid 102  and name HN  ))
   ((resid 101  and name HA  ))
      2.100     0.500     0.500 peak   320 weight  0.10000E+01 volume  0.13290E-01 ppm1      8.768 ppm2      5.269 CV     1
 ASSI {  322}
   ((resid 102  and name HN  ))
   ((resid 102  and name HA  ))
      2.700     0.900     0.900 peak   322 weight  0.10000E+01 volume  0.24409E-02 ppm1      8.765 ppm2      4.660 CV     1
 ASSI {  324}
   ((resid 102  and name HN  ))
   ((resid 102  and name HB3 ))
      2.600     0.600     0.600 peak   324 weight  0.10000E+01 volume  0.73557E-02 ppm1      8.765 ppm2      4.034 CV     1
 ASSI {  325}
   ((resid 102  and name HN  ))
   ((resid 101  and name HG3 ))
      2.800     0.900     0.900 peak   325 weight  0.10000E+01 volume  0.22986E-02 ppm1      8.768 ppm2      2.106 CV     1
 ASSI {  326}
   ((resid 102  and name HN  ))
   ((resid 101  and name HG2 ))
      2.500     0.800     0.800 peak   326 weight  0.10000E+01 volume  0.38076E-02 ppm1      8.765 ppm2      1.971 CV     1
 ASSI {  327}
   ((resid 102  and name HN  ))
   ((resid 101  and name HB2 ))
      3.100     1.200     1.200 peak   327 weight  0.10000E+01 volume  0.11588E-02 ppm1      8.768 ppm2      1.714 CV     1
 ASSI {  329}
   ((resid 102  and name HN  ))
   ( resid 80   and name HD2%)
      2.600     0.800     0.800 peak   329 weight  0.10000E+01 volume  0.34959E-02 ppm1      8.765 ppm2      0.647 CV     1
 ASSI {  331}
   ((resid 71   and name HN  ))
   ((resid 84   and name HN  ))
      4.300     2.300     1.700 peak   331 weight  0.10000E+01 volume  0.15637E-03 ppm1      8.981 ppm2      8.337 CV     1
 ASSI {  334}
   ((resid 71   and name HN  ))
   ((resid 70   and name HA  ))
      2.700     0.900     0.900 peak   334 weight  0.10000E+01 volume  0.26658E-02 ppm1      8.978 ppm2      4.621 CV     1
 ASSI {  335}
   ((resid 71   and name HN  ))
   ((resid 71   and name HB3 ))
      3.000     1.100     1.100 peak   335 weight  0.10000E+01 volume  0.13570E-02 ppm1      8.984 ppm2      4.085 CV     1
 ASSI {  337}
   ((resid 71   and name HN  ))
   ((resid 70   and name HB3 ))
      3.000     1.100     1.100 peak   337 weight  0.10000E+01 volume  0.14698E-02 ppm1      8.982 ppm2      3.060 CV     1
 ASSI {  338}
   ((resid 71   and name HN  ))
   ((resid 70   and name HB2 ))
      3.400     1.400     1.400 peak   338 weight  0.10000E+01 volume  0.70231E-03 ppm1      8.982 ppm2      2.421 CV     1
 ASSI {  339}
   ((resid 71   and name HN  ))
   ((resid 84   and name HB2 ))
      2.700     0.900     0.900 peak   339 weight  0.10000E+01 volume  0.24963E-02 ppm1      8.978 ppm2      1.672 CV     1
 ASSI {  343}
   ((resid 77   and name HN  ))
   ((resid 77   and name HA  ))
      4.000     2.000     2.000 peak   343 weight  0.10000E+01 volume  0.25732E-03 ppm1      8.787 ppm2      4.417 CV     1
 ASSI {  347}
   ((resid 89   and name HN  ))
   ((resid 88   and name HA  ))
      2.100     0.500     0.500 peak   347 weight  0.10000E+01 volume  0.13310E-01 ppm1      8.760 ppm2      5.027 CV     1
 ASSI {  348}
   ((resid 89   and name HN  ))
   ((resid 89   and name HB2 ))
      2.300     0.700     0.700 peak   348 weight  0.10000E+01 volume  0.61421E-02 ppm1      8.760 ppm2      1.674 CV     1
 ASSI {  349}
   ((resid 89   and name HN  ))
   ((resid 89   and name HB3 ))
      2.600     0.800     0.800 peak   349 weight  0.10000E+01 volume  0.34392E-02 ppm1      8.757 ppm2      1.607 CV     1
 ASSI {  351}
   ((resid 89   and name HN  ))
   ((resid 89   and name HG3 ))
      3.200     1.200     1.200 peak   351 weight  0.10000E+01 volume  0.10232E-02 ppm1      8.758 ppm2      1.309 CV     1
 ASSI {  352}
   ((resid 89   and name HN  ))
   ((resid 88   and name HB2 ))
      2.800     1.000     1.000 peak   352 weight  0.10000E+01 volume  0.19100E-02 ppm1      8.757 ppm2      1.163 CV     1
 ASSI {  353}
   ((resid 89   and name HN  ))
   ((resid 88   and name HB3 ))
      2.700     0.900     0.900 peak   353 weight  0.10000E+01 volume  0.27616E-02 ppm1      8.757 ppm2      1.090 CV     1
 ASSI {  354}
   ((resid 89   and name HN  ))
   ( resid 103  and name HD1%)
      2.800     1.000     1.000 peak   354 weight  0.10000E+01 volume  0.19054E-02 ppm1      8.757 ppm2      0.817 CV     1
 ASSI {  355}
   ((resid 89   and name HN  ))
   ( resid 88   and name HD2%)
      3.200     1.300     1.300 peak   355 weight  0.10000E+01 volume  0.85621E-03 ppm1      8.755 ppm2      0.627 CV     1
 ASSI {  364}
   ((resid 109  and name HN  ))
   ((resid 100  and name HN  ))
      2.700     0.900     0.900 peak   364 weight  0.10000E+01 volume  0.26371E-02 ppm1      8.718 ppm2      9.395 CV     1
 ASSI {  368}
   ((resid 109  and name HN  ))
   ((resid 108  and name HA  ))
      2.100     0.500     0.500 peak   368 weight  0.10000E+01 volume  0.12905E-01 ppm1      8.719 ppm2      5.689 CV     1
 ASSI {  369}
   ((resid 109  and name HN  ))
   ((resid 101  and name HA  ))
      3.000     1.100     1.100 peak   369 weight  0.10000E+01 volume  0.13753E-02 ppm1      8.718 ppm2      5.273 CV     1
 ASSI {  370}
   ((resid 109  and name HN  ))
   ((resid 109  and name HA2 ))
      2.600     0.800     0.800 peak   370 weight  0.10000E+01 volume  0.34503E-02 ppm1      8.718 ppm2      4.099 CV     1
 ASSI {  371}
   ((resid 109  and name HN  ))
   ((resid 109  and name HA1 ))
      2.600     0.800     0.800 peak   371 weight  0.10000E+01 volume  0.33674E-02 ppm1      8.718 ppm2      3.923 CV     1
 ASSI {  372}
   ((resid 109  and name HN  ))
   ((resid 108  and name HG2 ))
      3.400     1.500     1.500 peak   372 weight  0.10000E+01 volume  0.62504E-03 ppm1      8.719 ppm2      2.022 CV     1
 ASSI {  373}
   ((resid 109  and name HN  ))
   ((resid 108  and name HB2 ))
      2.900     1.000     1.000 peak   373 weight  0.10000E+01 volume  0.18585E-02 ppm1      8.718 ppm2      1.862 CV     1
 ASSI {  374}
   ((resid 109  and name HN  ))
   ((resid 108  and name HB3 ))
      2.600     0.800     0.800 peak   374 weight  0.10000E+01 volume  0.32677E-02 ppm1      8.718 ppm2      1.801 CV     1
 ASSI {  375}
   ((resid 109  and name HN  ))
   ( resid 100  and name HB% )
      3.800     1.800     1.800 peak   375 weight  0.10000E+01 volume  0.31894E-03 ppm1      8.718 ppm2      1.209 CV     1
 ASSI {  376}
   ((resid 109  and name HN  ))
   ((resid 99   and name HD2 ))
      3.900     1.900     1.900 peak   376 weight  0.10000E+01 volume  0.27584E-03 ppm1      8.718 ppm2      1.101 CV     1
 ASSI {  377}
   ((resid 109  and name HN  ))
   ((resid 99   and name HD3 ))
      2.800     1.000     1.000 peak   377 weight  0.10000E+01 volume  0.19420E-02 ppm1      8.719 ppm2      0.794 CV     1
 ASSI {  378}
   ((resid 109  and name HN  ))
   ((resid 80   and name HB3 ))
      2.700     0.900     0.900 peak   378 weight  0.10000E+01 volume  0.27395E-02 ppm1      8.720 ppm2      0.733 CV     1
 ASSI {  379}
   ((resid 109  and name HN  ))
   ( resid 80   and name HD2%)
      2.700     0.900     0.900 peak   379 weight  0.10000E+01 volume  0.27766E-02 ppm1      8.720 ppm2      0.652 CV     1
 ASSI {  384}
   ((resid 99   and name HN  ))
   ((resid 92   and name HN  ))
      2.800     1.000     1.000 peak   384 weight  0.10000E+01 volume  0.20600E-02 ppm1      8.721 ppm2      7.662 CV     1
 ASSI {  390}
   ((resid 99   and name HN  ))
   ((resid 92   and name HB3 ))
      3.300     1.400     1.400 peak   390 weight  0.10000E+01 volume  0.78121E-03 ppm1      8.721 ppm2      1.916 CV     1
 ASSI {  391}
   ((resid 99   and name HN  ))
   ((resid 99   and name HB3 ))
      2.700     0.900     0.900 peak   391 weight  0.10000E+01 volume  0.27701E-02 ppm1      8.723 ppm2      1.655 CV     1
 ASSI {  392}
   ((resid 99   and name HN  ))
   ((resid 99   and name HB2 ))
      2.700     0.900     0.900 peak   392 weight  0.10000E+01 volume  0.28276E-02 ppm1      8.722 ppm2      1.568 CV     1
 ASSI {  399}
   ((resid 110  and name HN  ))
   ( resid 110  and name HD% )
      2.800     1.000     1.000 peak   399 weight  0.10000E+01 volume  0.20946E-02 ppm1      8.701 ppm2      7.176 CV     1
 ASSI {  401}
   ((resid 110  and name HN  ))
   ((resid 79   and name HA  ))
      2.200     0.600     0.600 peak   401 weight  0.10000E+01 volume  0.87382E-02 ppm1      8.701 ppm2      5.325 CV     1
 ASSI {  402}
   ((resid 110  and name HN  ))
   ((resid 109  and name HA2 ))
      2.300     0.700     0.700 peak   402 weight  0.10000E+01 volume  0.65341E-02 ppm1      8.701 ppm2      4.085 CV     1
 ASSI {  403}
   ((resid 110  and name HN  ))
   ((resid 109  and name HA1 ))
      2.400     0.700     0.700 peak   403 weight  0.10000E+01 volume  0.57789E-02 ppm1      8.703 ppm2      3.929 CV     1
 ASSI {  404}
   ((resid 110  and name HN  ))
   ((resid 110  and name HB2 ))
      2.300     0.700     0.700 peak   404 weight  0.10000E+01 volume  0.63873E-02 ppm1      8.701 ppm2      3.130 CV     1
 ASSI {  405}
   ((resid 110  and name HN  ))
   ((resid 80   and name HB3 ))
      3.300     1.400     1.400 peak   405 weight  0.10000E+01 volume  0.76231E-03 ppm1      8.701 ppm2      0.742 CV     1
 ASSI {  429}
   ((resid 96   and name HN  ))
   ((resid 95   and name HA2 ))
      2.300     0.600     0.600 peak   429 weight  0.10000E+01 volume  0.72448E-02 ppm1      8.632 ppm2      4.076 CV     1
 ASSI {  465}
   ((resid 93   and name HN  ))
   ((resid 92   and name HA  ))
      2.100     0.500     0.500 peak   465 weight  0.10000E+01 volume  0.12364E-01 ppm1      8.594 ppm2      4.305 CV     1
 ASSI {  466}
   ((resid 93   and name HN  ))
   ((resid 93   and name HA  ))
      2.800     1.000     1.000 peak   466 weight  0.10000E+01 volume  0.18944E-02 ppm1      8.594 ppm2      3.602 CV     1
 ASSI {  467}
   ((resid 93   and name HN  ))
   ((resid 92   and name HG3 ))
      3.500     1.500     1.500 peak   467 weight  0.10000E+01 volume  0.58330E-03 ppm1      8.596 ppm2      2.230 CV     1
 ASSI {  468}
   ((resid 93   and name HN  ))
   ((resid 92   and name HG2 ))
      3.600     1.600     1.600 peak   468 weight  0.10000E+01 volume  0.44962E-03 ppm1      8.597 ppm2      2.137 CV     1
 ASSI {  469}
   ((resid 93   and name HN  ))
   ((resid 92   and name HB2 ))
      3.300     1.400     1.400 peak   469 weight  0.10000E+01 volume  0.71601E-03 ppm1      8.597 ppm2      2.047 CV     1
 ASSI {  470}
   ((resid 93   and name HN  ))
   ((resid 92   and name HB3 ))
      4.000     2.000     2.000 peak   470 weight  0.10000E+01 volume  0.24024E-03 ppm1      8.596 ppm2      1.913 CV     1
 ASSI {  471}
   ((resid 93   and name HN  ))
   ((resid 93   and name HB3 ))
      3.200     1.300     1.300 peak   471 weight  0.10000E+01 volume  0.89403E-03 ppm1      8.593 ppm2      1.162 CV     1
 ASSI {  472}
   ((resid 93   and name HN  ))
   ((resid 93   and name HB2 ))
      2.700     0.900     0.900 peak   472 weight  0.10000E+01 volume  0.27806E-02 ppm1      8.595 ppm2      0.979 CV     1
 ASSI {  478}
   ((resid 75   and name HN  ))
   ((resid 76   and name HN  ))
      2.400     0.700     0.700 peak   478 weight  0.10000E+01 volume  0.46443E-02 ppm1      8.603 ppm2      7.805 CV     1
 ASSI {  480}
   ((resid 75   and name HN  ))
   ((resid 75   and name HA  ))
      3.100     1.200     1.200 peak   480 weight  0.10000E+01 volume  0.12233E-02 ppm1      8.607 ppm2      4.386 CV     1
 ASSI {  481}
   ((resid 75   and name HN  ))
   ((resid 74   and name HA  ))
      2.300     0.700     0.700 peak   481 weight  0.10000E+01 volume  0.65927E-02 ppm1      8.607 ppm2      3.986 CV     1
 ASSI {  485}
   ((resid 75   and name HN  ))
   ((resid 74   and name HB2 ))
      3.000     1.100     1.100 peak   485 weight  0.10000E+01 volume  0.13029E-02 ppm1      8.603 ppm2      1.986 CV     1
 ASSI {  491}
   ((resid 117  and name HN  ))
   ((resid 116  and name HA  ))
      2.300     0.700     0.700 peak   491 weight  0.10000E+01 volume  0.66710E-02 ppm1      8.555 ppm2      5.236 CV     1
 ASSI {  493}
   ((resid 117  and name HN  ))
   ((resid 66   and name HB  ))
      3.000     1.100     1.100 peak   493 weight  0.10000E+01 volume  0.13649E-02 ppm1      8.552 ppm2      2.022 CV     1
 ASSI {  494}
   ((resid 117  and name HN  ))
   ((resid 116  and name HB  ))
      2.600     0.800     0.800 peak   494 weight  0.10000E+01 volume  0.39537E-02 ppm1      8.551 ppm2      1.775 CV     1
 ASSI {  495}
   ((resid 117  and name HN  ))
   ( resid 117  and name HB% )
      2.700     0.700     0.700 peak   495 weight  0.10000E+01 volume  0.52057E-02 ppm1      8.550 ppm2      1.360 CV     1
 ASSI {  496}
   ((resid 117  and name HN  ))
   ( resid 66   and name HG1%)
      4.900     1.200     1.200 peak   496 weight  0.10000E+01 volume  0.11346E-02 ppm1      8.552 ppm2      0.766 CV     1
 ASSI {  497}
   ((resid 117  and name HN  ))
   ( resid 116  and name HG2%)
      4.800     1.000     1.000 peak   497 weight  0.10000E+01 volume  0.19289E-02 ppm1      8.551 ppm2      0.674 CV     1
 ASSI {  499}
   ((resid 117  and name HN  ))
   ((resid 68   and name HA  ))
      4.100     2.000     2.000 peak   499 weight  0.10000E+01 volume  0.22726E-03 ppm1      8.556 ppm2      4.538 CV     1
 ASSI {  512}
   ((resid 68   and name HN  ))
   ((resid 86   and name HN  ))
      3.400     1.400     1.400 peak   512 weight  0.10000E+01 volume  0.70493E-03 ppm1      8.532 ppm2      8.115 CV     1
 ASSI {  514}
   ((resid 68   and name HN  ))
   ((resid 67   and name HA  ))
      1.900     0.500     0.500 peak   514 weight  0.10000E+01 volume  0.19093E-01 ppm1      8.530 ppm2      4.901 CV     1
 ASSI {  515}
   ((resid 68   and name HN  ))
   ((resid 68   and name HA  ))
      2.800     1.000     1.000 peak   515 weight  0.10000E+01 volume  0.19759E-02 ppm1      8.534 ppm2      4.532 CV     1
 ASSI {  516}
   ((resid 68   and name HN  ))
   ( resid 68   and name HB% )
      2.200     0.600     0.600 peak   516 weight  0.10000E+01 volume  0.95859E-02 ppm1      8.532 ppm2      1.663 CV     1
 ASSI {  518}
   ((resid 68   and name HN  ))
   ((resid 67   and name HG13))
      3.100     1.200     1.200 peak   518 weight  0.10000E+01 volume  0.10662E-02 ppm1      8.532 ppm2      1.330 CV     1
 ASSI {  520}
   ((resid 68   and name HN  ))
   ( resid 67   and name HG2%)
      2.700     0.900     0.900 peak   520 weight  0.10000E+01 volume  0.28216E-02 ppm1      8.530 ppm2      0.765 CV     1
 ASSI {  522}
   ((resid 108  and name HN  ))
   ((resid 108  and name HA  ))
      2.600     0.800     0.800 peak   522 weight  0.10000E+01 volume  0.34816E-02 ppm1      8.539 ppm2      5.689 CV     1
 ASSI {  523}
   ((resid 108  and name HN  ))
   ((resid 107  and name HA  ))
      1.900     0.400     0.400 peak   523 weight  0.10000E+01 volume  0.22184E-01 ppm1      8.536 ppm2      4.217 CV     1
 ASSI {  524}
   ((resid 108  and name HN  ))
   ((resid 107  and name HG3 ))
      2.800     0.900     0.900 peak   524 weight  0.10000E+01 volume  0.28992E-02 ppm1      8.538 ppm2      2.409 CV     1
 ASSI {  525}
   ((resid 108  and name HN  ))
   ((resid 108  and name HG3 ))
      2.700     0.900     0.900 peak   525 weight  0.10000E+01 volume  0.27681E-02 ppm1      8.535 ppm2      2.240 CV     1
 ASSI {  527}
   ((resid 108  and name HN  ))
   ((resid 107  and name HB3 ))
      3.000     1.100     1.100 peak   527 weight  0.10000E+01 volume  0.15129E-02 ppm1      8.537 ppm2      1.922 CV     1
 ASSI {  528}
   ((resid 108  and name HN  ))
   ((resid 108  and name HB2 ))
      2.400     0.700     0.700 peak   528 weight  0.10000E+01 volume  0.51366E-02 ppm1      8.536 ppm2      1.863 CV     1
 ASSI {  529}
   ((resid 108  and name HN  ))
   ((resid 108  and name HB3 ))
      2.700     0.900     0.900 peak   529 weight  0.10000E+01 volume  0.28529E-02 ppm1      8.536 ppm2      1.808 CV     1
 ASSI {  534}
   ((resid 108  and name HN  ))
   ((resid 109  and name HN  ))
      3.800     1.800     1.800 peak   534 weight  0.10000E+01 volume  0.32729E-03 ppm1      8.536 ppm2      8.718 CV     1
 ASSI {  536}
   ((resid 108  and name HN  ))
   ( resid 80   and name HD1%)
      3.200     1.300     1.300 peak   536 weight  0.10000E+01 volume  0.86859E-03 ppm1      8.536 ppm2      0.798 CV     1
ASSI {  550}
   ((resid 100  and name HA  ))
   ((resid 99   and name HB2 ))
      4.200     2.200     1.800 peak   550 weight  0.10000E+01 volume  0.18942E-03 ppm1      5.455 ppm2      1.683 CV     1
 ASSI {  564}
   ((resid 64   and name HN  ))
   ((resid 65   and name HN  ))
      2.600     0.800     0.800 peak   564 weight  0.10000E+01 volume  0.34764E-02 ppm1      8.490 ppm2      7.882 CV     1
 ASSI {  568}
   ((resid 64   and name HN  ))
   ((resid 64   and name HB2 ))
      2.500     0.800     0.800 peak   568 weight  0.10000E+01 volume  0.40320E-02 ppm1      8.493 ppm2      2.950 CV     1
 ASSI {  569}
   ((resid 64   and name HN  ))
   ((resid 64   and name HB3 ))
      3.600     0.800     0.800 peak   569 weight  0.10000E+01 volume  0.34652E-02 ppm1      8.490 ppm2      2.857 CV     1
 ASSI {  589}
   ((resid 72   and name HN  ))
   ( resid 72   and name HD% )
      3.300     1.400     1.400 peak   589 weight  0.10000E+01 volume  0.74665E-03 ppm1      8.461 ppm2      7.028 CV     1
 ASSI {  590}
   ((resid 72   and name HN  ))
   ( resid 82   and name HD% )
      3.100     1.200     1.200 peak   590 weight  0.10000E+01 volume  0.12397E-02 ppm1      8.461 ppm2      6.968 CV     1
 ASSI {  591}
   ((resid 72   and name HN  ))
   ((resid 72   and name HA  ))
      3.000     0.500     0.500 peak   591 weight  0.10000E+01 volume  0.14073E-01 ppm1      8.464 ppm2      4.629 CV     1
 ASSI {  593}
   ((resid 72   and name HN  ))
   ((resid 71   and name HB2 ))
      2.900     1.000     1.000 peak   593 weight  0.10000E+01 volume  0.17372E-02 ppm1      8.463 ppm2      3.920 CV     1
 ASSI {  595}
   ((resid 72   and name HN  ))
   ((resid 72   and name HB3 ))
      2.800     1.000     1.000 peak   595 weight  0.10000E+01 volume  0.22041E-02 ppm1      8.463 ppm2      1.028 CV     1
 ASSI {  613}
   ((resid 95   and name HN  ))
   ((resid 96   and name HN  ))
      3.300     1.400     1.400 peak   613 weight  0.10000E+01 volume  0.73231E-03 ppm1      8.497 ppm2      8.629 CV     1
 ASSI {  616}
   ((resid 95   and name HN  ))
   ((resid 94   and name HB2 ))
      2.700     0.900     0.900 peak   616 weight  0.10000E+01 volume  0.28869E-02 ppm1      8.496 ppm2      3.837 CV     1
 ASSI {  623}
   ((resid 104  and name HN  ))
   ((resid 103  and name HN  ))
      2.400     0.700     0.700 peak   623 weight  0.10000E+01 volume  0.49240E-02 ppm1      8.480 ppm2      8.858 CV     1
 ASSI {  625}
   ((resid 104  and name HN  ))
   ((resid 105  and name HN  ))
      2.300     0.700     0.700 peak   625 weight  0.10000E+01 volume  0.62621E-02 ppm1      8.480 ppm2      8.105 CV     1
 ASSI {  629}
   ((resid 104  and name HN  ))
   ((resid 104  and name HA  ))
      2.400     0.700     0.700 peak   629 weight  0.10000E+01 volume  0.59184E-02 ppm1      8.487 ppm2      4.284 CV     1
 ASSI {  630}
   ((resid 104  and name HN  ))
   ((resid 102  and name HB3 ))
      3.100     1.200     1.200 peak   630 weight  0.10000E+01 volume  0.10896E-02 ppm1      8.480 ppm2      4.206 CV     1
 ASSI {  631}
   ((resid 104  and name HN  ))
   ((resid 104  and name HB  ))
      2.400     0.700     0.700 peak   631 weight  0.10000E+01 volume  0.57104E-02 ppm1      8.480 ppm2      4.085 CV     1
 ASSI {  632}
   ((resid 104  and name HN  ))
   ((resid 103  and name HB2 ))
      2.500     0.800     0.800 peak   632 weight  0.10000E+01 volume  0.39341E-02 ppm1      8.480 ppm2      1.714 CV     1
 ASSI {  633}
   ((resid 104  and name HN  ))
   ( resid 104  and name HG2%)
      2.700     0.900     0.900 peak   633 weight  0.10000E+01 volume  0.26351E-02 ppm1      8.482 ppm2      1.265 CV     1
 ASSI {  634}
   ((resid 104  and name HN  ))
   ( resid 103  and name HD1%)
      3.500     1.500     1.500 peak   634 weight  0.10000E+01 volume  0.53916E-03 ppm1      8.484 ppm2      0.812 CV     1
 ASSI {  635}
   ((resid 95   and name HN  ))
   ((resid 94   and name HN  ))
      3.500     1.500     1.500 peak   635 weight  0.10000E+01 volume  0.53747E-03 ppm1      8.499 ppm2      8.116 CV     1
 ASSI {  636}
   ((resid 95   and name HN  ))
   ((resid 94   and name HA  ))
      2.100     0.600     0.600 peak   636 weight  0.10000E+01 volume  0.11594E-01 ppm1      8.494 ppm2      4.586 CV     1
 ASSI {  637}
   ((resid 95   and name HN  ))
   ((resid 95   and name HA2 ))
      2.400     0.700     0.700 peak   637 weight  0.10000E+01 volume  0.53224E-02 ppm1      8.494 ppm2      4.066 CV     1
 ASSI {  638}
   ((resid 95   and name HN  ))
   ((resid 95   and name HA1 ))
      2.100     0.600     0.600 peak   638 weight  0.10000E+01 volume  0.11523E-01 ppm1      8.494 ppm2      3.756 CV     1
 ASSI {  690}
   ((resid 87   and name HN  ))
   ((resid 87   and name HA  ))
      2.600     0.900     0.900 peak   690 weight  0.10000E+01 volume  0.30818E-02 ppm1      8.400 ppm2      5.218 CV     1
 ASSI {  691}
   ((resid 87   and name HN  ))
   ((resid 86   and name HA  ))
      1.900     0.500     0.500 peak   691 weight  0.10000E+01 volume  0.21226E-01 ppm1      8.398 ppm2      4.178 CV     1
 ASSI {  692}
   ((resid 87   and name HN  ))
   ((resid 86   and name HG3 ))
      2.300     0.600     0.600 peak   692 weight  0.10000E+01 volume  0.72775E-02 ppm1      8.398 ppm2      2.461 CV     1
 ASSI {  693}
   ((resid 87   and name HN  ))
   ((resid 86   and name HB2 ))
      3.600     1.000     1.000 peak   693 weight  0.10000E+01 volume  0.36283E-02 ppm1      8.399 ppm2      2.367 CV     1
 ASSI {  694}
   ((resid 87   and name HN  ))
   ((resid 87   and name HB2 ))
      2.500     0.500     0.500 peak   694 weight  0.10000E+01 volume  0.13590E-01 ppm1      8.400 ppm2      1.995 CV     1
 ASSI {  713}
   ((resid 87   and name HN  ))
   ((resid 86   and name HB3 ))
      2.300     0.700     0.700 peak   713 weight  0.10000E+01 volume  0.60925E-02 ppm1      8.400 ppm2      2.092 CV     1
 ASSI {  714}
   ((resid 87   and name HN  ))
   ( resid 103  and name HD1%)
      3.200     1.300     1.300 peak   714 weight  0.10000E+01 volume  0.95011E-03 ppm1      8.393 ppm2      0.815 CV     1
 ASSI {  768}
   ((resid 119  and name HN  ))
   ((resid 67   and name HN  ))
      3.300     1.400     1.400 peak   768 weight  0.10000E+01 volume  0.76426E-03 ppm1      8.330 ppm2      8.959 CV     1
 ASSI {  769}
   ((resid 119  and name HN  ))
   ((resid 118  and name HN  ))
      3.700     1.700     1.700 peak   769 weight  0.10000E+01 volume  0.38487E-03 ppm1      8.330 ppm2      8.606 CV     1
 ASSI {  772}
   ((resid 119  and name HN  ))
   ((resid 66   and name HA  ))
      2.300     0.600     0.600 peak   772 weight  0.10000E+01 volume  0.74014E-02 ppm1      8.331 ppm2      4.945 CV     1
 ASSI {  773}
   ((resid 119  and name HN  ))
   ((resid 118  and name HA  ))
      1.900     0.400     0.400 peak   773 weight  0.10000E+01 volume  0.22654E-01 ppm1      8.332 ppm2      4.250 CV     1
 ASSI {  774}
   ((resid 119  and name HN  ))
   ((resid 118  and name HB3 ))
      2.900     1.100     1.100 peak   774 weight  0.10000E+01 volume  0.16074E-02 ppm1      8.329 ppm2      1.888 CV     1
 ASSI {  775}
   ((resid 119  and name HN  ))
   ((resid 118  and name HB2 ))
      3.100     1.200     1.200 peak   775 weight  0.10000E+01 volume  0.10864E-02 ppm1      8.333 ppm2      1.819 CV     1
 ASSI {  776}
   ((resid 119  and name HN  ))
   ((resid 67   and name HB  ))
      3.000     1.100     1.100 peak   776 weight  0.10000E+01 volume  0.13368E-02 ppm1      8.330 ppm2      1.558 CV     1
 ASSI {  778}
   ((resid 119  and name HN  ))
   ( resid 119  and name HB% )
      2.800     0.600     0.600 peak   778 weight  0.10000E+01 volume  0.93642E-02 ppm1      8.332 ppm2      1.245 CV     1
 ASSI {  826}
   ((resid 84   and name HN  ))
   ((resid 71   and name HA  ))
      2.700     0.900     0.900 peak   826 weight  0.10000E+01 volume  0.27675E-02 ppm1      8.342 ppm2      4.623 CV     1
 ASSI {  873}
   ((resid 84   and name HN  ))
   ((resid 84   and name HA  ))
      2.700     0.900     0.900 peak   873 weight  0.10000E+01 volume  0.28464E-02 ppm1      8.338 ppm2      3.351 CV     1
 ASSI {  874}
   ((resid 84   and name HN  ))
   ((resid 83   and name HB2 ))
      3.200     1.300     1.300 peak   874 weight  0.10000E+01 volume  0.88165E-03 ppm1      8.341 ppm2      2.104 CV     1
 ASSI {  875}
   ((resid 84   and name HN  ))
   ((resid 84   and name HB3 ))
      2.100     0.600     0.600 peak   875 weight  0.10000E+01 volume  0.10538E-01 ppm1      8.345 ppm2      1.687 CV     1
 ASSI {  881}
   ((resid 84   and name HN  ))
   ((resid 71   and name HB3 ))
      3.000     1.100     1.100 peak   881 weight  0.10000E+01 volume  0.13544E-02 ppm1      8.341 ppm2      4.077 CV     1
 ASSI { 1085}
   ((resid 81   and name HN  ))
   ((resid 81   and name HA1 ))
      2.600     0.800     0.800 peak  1085 weight  0.10000E+01 volume  0.34176E-02 ppm1      8.159 ppm2      4.353 CV     1
 ASSI { 1086}
   ((resid 81   and name HN  ))
   ((resid 81   and name HA2 ))
      2.200     0.600     0.600 peak  1086 weight  0.10000E+01 volume  0.78904E-02 ppm1      8.161 ppm2      3.550 CV     1
 ASSI { 1087}
   ((resid 81   and name HN  ))
   ((resid 74   and name HG3 ))
      3.200     1.300     1.300 peak  1087 weight  0.10000E+01 volume  0.86208E-03 ppm1      8.166 ppm2      2.033 CV     1
 ASSI { 1088}
   ((resid 81   and name HN  ))
   ((resid 74   and name HB3 ))
      3.400     1.500     1.500 peak  1088 weight  0.10000E+01 volume  0.63129E-03 ppm1      8.166 ppm2      1.988 CV     1
 ASSI { 1089}
   ((resid 81   and name HN  ))
   ((resid 80   and name HG  ))
      2.500     0.800     0.800 peak  1089 weight  0.10000E+01 volume  0.39797E-02 ppm1      8.161 ppm2      1.751 CV     1
 ASSI { 1090}
   ((resid 81   and name HN  ))
   ( resid 80   and name HD1%)
      2.300     0.700     0.700 peak  1090 weight  0.10000E+01 volume  0.65125E-02 ppm1      8.161 ppm2      0.804 CV     1
 ASSI { 1091}
   ((resid 81   and name HN  ))
   ((resid 80   and name HB3 ))
      3.300     1.400     1.400 peak  1091 weight  0.10000E+01 volume  0.75253E-03 ppm1      8.161 ppm2      0.726 CV     1
 ASSI { 1092}
   ((resid 81   and name HN  ))
   ( resid 80   and name HD2%)
      3.400     1.400     1.400 peak  1092 weight  0.10000E+01 volume  0.67623E-03 ppm1      8.166 ppm2      0.648 CV     1
 ASSI { 1129}
   ((resid 94   and name HN  ))
   ((resid 93   and name HN  ))
      3.200     1.200     1.200 peak  1129 weight  0.10000E+01 volume  0.10101E-02 ppm1      8.130 ppm2      8.592 CV     1
 ASSI { 1131}
   ((resid 94   and name HN  ))
   ((resid 98   and name HA  ))
      2.900     1.000     1.000 peak  1131 weight  0.10000E+01 volume  0.18317E-02 ppm1      8.130 ppm2      5.437 CV     1
 ASSI { 1132}
   ((resid 94   and name HN  ))
   ((resid 94   and name HA  ))
      2.800     1.000     1.000 peak  1132 weight  0.10000E+01 volume  0.19165E-02 ppm1      8.132 ppm2      4.592 CV     1
 ASSI { 1134}
   ((resid 94   and name HN  ))
   ((resid 93   and name HA  ))
      2.200     0.600     0.600 peak  1134 weight  0.10000E+01 volume  0.77209E-02 ppm1      8.130 ppm2      3.600 CV     1
 ASSI { 1135}
   ((resid 94   and name HN  ))
   ((resid 98   and name HD1 ))
      2.900     1.000     1.000 peak  1135 weight  0.10000E+01 volume  0.17339E-02 ppm1      8.133 ppm2      6.877 CV     1
 ASSI { 1181}
   ((resid 105  and name HN  ))
   ((resid 107  and name HN  ))
      3.200     1.200     1.200 peak  1181 weight  0.10000E+01 volume  0.10160E-02 ppm1      8.121 ppm2      7.907 CV     1
 ASSI { 1182}
   ((resid 105  and name HN  ))
   ((resid 106  and name HN  ))
      2.300     0.700     0.700 peak  1182 weight  0.10000E+01 volume  0.62673E-02 ppm1      8.114 ppm2      7.659 CV     1
 ASSI { 1185}
   ((resid 105  and name HN  ))
   ((resid 105  and name HB  ))
      2.700     0.900     0.900 peak  1185 weight  0.10000E+01 volume  0.23978E-02 ppm1      8.116 ppm2      4.508 CV     1
 ASSI { 1186}
   ((resid 105  and name HN  ))
   ((resid 104  and name HA  ))
      3.000     1.100     1.100 peak  1186 weight  0.10000E+01 volume  0.14086E-02 ppm1      8.121 ppm2      4.281 CV     1
 ASSI { 1187}
   ((resid 105  and name HN  ))
   ((resid 104  and name HB  ))
      2.500     0.800     0.800 peak  1187 weight  0.10000E+01 volume  0.36864E-02 ppm1      8.116 ppm2      4.082 CV     1
 ASSI { 1188}
   ((resid 105  and name HN  ))
   ((resid 106  and name HA2 ))
      3.700     1.700     1.700 peak  1188 weight  0.10000E+01 volume  0.37580E-03 ppm1      8.118 ppm2      3.818 CV     1
 ASSI { 1189}
   ((resid 105  and name HN  ))
   ( resid 105  and name HG2%)
      2.300     0.700     0.700 peak  1189 weight  0.10000E+01 volume  0.69905E-02 ppm1      8.112 ppm2      1.261 CV     1
 ASSI { 1202}
   ((resid 86   and name HN  ))
   ((resid 85   and name HN  ))
      2.500     0.800     0.800 peak  1202 weight  0.10000E+01 volume  0.39849E-02 ppm1      8.114 ppm2      8.821 CV     1
 ASSI { 1204}
   ((resid 86   and name HN  ))
   ((resid 87   and name HN  ))
      6     6     1.0 peak  1204 weight  0.10000E+01 volume  0.10329E-02 ppm1      8.116 ppm2      8.396 CV     1
 ASSI { 1206}
   ((resid 86   and name HN  ))
   ((resid 85   and name HA2 ))
      2.700     0.900     0.900 peak  1206 weight  0.10000E+01 volume  0.25680E-02 ppm1      8.115 ppm2      4.342 CV     1
 ASSI { 1207}
   ((resid 86   and name HN  ))
   ((resid 86   and name HA  ))
      2.500     0.800     0.800 peak  1207 weight  0.10000E+01 volume  0.38266E-02 ppm1      8.114 ppm2      4.177 CV     1
 ASSI { 1208}
   ((resid 86   and name HN  ))
   ((resid 85   and name HA1 ))
      2.900     1.100     1.100 peak  1208 weight  0.10000E+01 volume  0.15553E-02 ppm1      8.118 ppm2      3.472 CV     1
 ASSI { 1209}
   ((resid 86   and name HN  ))
   ((resid 84   and name HA  ))
      3.000     1.100     1.100 peak  1209 weight  0.10000E+01 volume  0.13394E-02 ppm1      8.115 ppm2      3.339 CV     1
 ASSI { 1210}
   ((resid 86   and name HN  ))
   ((resid 86   and name HG3 ))
      6.0     6     1.000 peak  1210 weight  0.10000E+01 volume  0.22484E-02 ppm1      8.113 ppm2      2.472 CV     1
 ASSI { 1211}
   ((resid 86   and name HN  ))
   ((resid 86   and name HB2 ))
      2.100     0.600     0.600 peak  1211 weight  0.10000E+01 volume  0.10381E-01 ppm1      8.118 ppm2      2.374 CV     1
 ASSI { 1212}
   ((resid 86   and name HN  ))
   ((resid 86   and name HB3 ))
      2.400     0.700     0.700 peak  1212 weight  0.10000E+01 volume  0.58872E-02 ppm1      8.113 ppm2      2.108 CV     1
 ASSI { 1213}
   ((resid 86   and name HN  ))
   ( resid 68   and name HB% )
      2.300     0.700     0.700 peak  1213 weight  0.10000E+01 volume  0.69449E-02 ppm1      8.118 ppm2      1.659 CV     1
 ASSI { 1376}
   ((resid 107  and name HN  ))
   ((resid 102  and name HB3 ))
      2.700     0.900     0.900 peak  1376 weight  0.10000E+01 volume  0.28066E-02 ppm1      7.915 ppm2      4.032 CV     1
 ASSI { 1382}
   ((resid 107  and name HN  ))
   ((resid 102  and name HN  ))
      3.300     1.400     1.400 peak  1382 weight  0.10000E+01 volume  0.74209E-03 ppm1      7.916 ppm2      8.767 CV     1
 ASSI { 1384}
   ((resid 107  and name HN  ))
   ((resid 106  and name HN  ))
      2.200     0.600     0.600 peak  1384 weight  0.10000E+01 volume  0.79752E-02 ppm1      7.915 ppm2      7.666 CV     1
 ASSI { 1386}
   ((resid 107  and name HN  ))
   ((resid 107  and name HA  ))
      2.200     0.600     0.600 peak  1386 weight  0.10000E+01 volume  0.90185E-02 ppm1      7.915 ppm2      4.206 CV     1
 ASSI { 1387}
   ((resid 107  and name HN  ))
   ((resid 106  and name HA2 ))
      3.000     1.100     1.100 peak  1387 weight  0.10000E+01 volume  0.14841E-02 ppm1      7.914 ppm2      3.815 CV     1
 ASSI { 1388}
   ((resid 107  and name HN  ))
   ((resid 107  and name HG3 ))
      2.400     0.700     0.700 peak  1388 weight  0.10000E+01 volume  0.58950E-02 ppm1      7.914 ppm2      2.411 CV     1
 ASSI { 1389}
   ((resid 107  and name HN  ))
   ((resid 107  and name HB3 ))
      2.400     1.0     1.00 peak  1389 weight  0.10000E+01 volume  0.59041E-02 ppm1      7.914 ppm2      2.042 CV     1
 ASSI { 1390}
   ((resid 107  and name HN  ))
   ((resid 107  and name HB2 ))
      2.200     0.600     0.600 peak  1390 weight  0.10000E+01 volume  0.91946E-02 ppm1      7.914 ppm2      1.921 CV     1
 ASSI { 1397}
   ((resid 120  and name HN  ))
   ((resid 119  and name HN  ))
      2.700     0.900     0.900 peak  1397 weight  0.10000E+01 volume  0.27473E-02 ppm1      7.922 ppm2      8.330 CV     1
 ASSI { 1400}
   ((resid 120  and name HN  ))
   ((resid 120  and name HA  ))
      2.600     0.900     0.900 peak  1400 weight  0.10000E+01 volume  0.29619E-02 ppm1      7.920 ppm2      4.415 CV     1
 ASSI { 1401}
   ((resid 120  and name HN  ))
   ((resid 119  and name HA  ))
      2.100     0.600     0.600 peak  1401 weight  0.10000E+01 volume  0.10714E-01 ppm1      7.921 ppm2      4.265 CV     1
 ASSI { 1402}
   ((resid 120  and name HN  ))
   ((resid 120  and name HB3 ))
      3.100     1.200     1.200 peak  1402 weight  0.10000E+01 volume  0.11053E-02 ppm1      7.921 ppm2      2.709 CV     1
 ASSI { 1403}
   ((resid 120  and name HN  ))
   ((resid 118  and name HB3 ))
      3.600     1.600     1.600 peak  1403 weight  0.10000E+01 volume  0.49722E-03 ppm1      7.921 ppm2      1.892 CV     1
 ASSI { 1405}
   ((resid 120  and name HN  ))
   ( resid 119  and name HB% )
      4.5     0.8     0.800 peak  1405 weight  0.10000E+01 volume  0.36172E-02 ppm1      7.921 ppm2      1.251 CV     1
 ASSI { 1414}
   ((resid 65   and name HN  ))
   ((resid 65   and name HA  ))
      2.400     0.700     0.700 peak  1414 weight  0.10000E+01 volume  0.49821E-02 ppm1      7.896 ppm2      5.176 CV     1
 ASSI { 1415}
   ((resid 65   and name HN  ))
   ((resid 64   and name HA  ))
      6.0     6     1.00 peak  1415 weight  0.10000E+01 volume  0.14352E-01 ppm1      7.896 ppm2      4.673 CV     1
 ASSI { 1416}
   ((resid 65   and name HN  ))
   ((resid 65   and name HB3 ))
      2.200     0.600     0.600 peak  1416 weight  0.10000E+01 volume  0.98728E-02 ppm1      7.894 ppm2      1.667 CV     1
 ASSI { 1417}
   ((resid 65   and name HN  ))
   ((resid 65   and name HG  ))
      6.0     6.00     1.00 peak  1417 weight  0.10000E+01 volume  0.62296E-02 ppm1      7.896 ppm2      1.526 CV     1
 ASSI { 1419}
   ((resid 65   and name HN  ))
   ( resid 65   and name HD1%)
      6.00     6.000     1.000 peak  1419 weight  0.10000E+01 volume  0.16967E-02 ppm1      7.896 ppm2      0.835 CV     1
 ASSI { 1420}
   ((resid 65   and name HN  ))
   ( resid 65   and name HD2%)
      6.0     6.000     1.000 peak  1420 weight  0.10000E+01 volume  0.18128E-02 ppm1      7.896 ppm2      0.771 CV     1
 ASSI { 1439}
   ((resid 82   and name HN  ))
   ((resid 72   and name HN  ))
      2.700     0.900     0.900 peak  1439 weight  0.10000E+01 volume  0.23300E-02 ppm1      7.877 ppm2      8.458 CV     1
 ASSI { 1440}
   ((resid 82   and name HN  ))
   ((resid 81   and name HN  ))
      3.600     1.600     1.600 peak  1440 weight  0.10000E+01 volume  0.43625E-03 ppm1      7.883 ppm2      8.156 CV     1
 ASSI { 1442}
   ((resid 82   and name HN  ))
   ( resid 72   and name HD% )
      3.000     1.100     1.100 peak  1442 weight  0.10000E+01 volume  0.14497E-02 ppm1      7.879 ppm2      7.027 CV     1
 ASSI { 1443}
   ((resid 82   and name HN  ))
   ( resid 82   and name HD% )
      2.900     1.000     1.000 peak  1443 weight  0.10000E+01 volume  0.17757E-02 ppm1      7.877 ppm2      6.964 CV     1
 ASSI { 1444}
   ((resid 82   and name HN  ))
   ((resid 82   and name HA  ))
      2.600     0.800     0.800 peak  1444 weight  0.10000E+01 volume  0.33864E-02 ppm1      7.881 ppm2      5.021 CV     1
 ASSI { 1445}
   ((resid 82   and name HN  ))
   ((resid 81   and name HA1 ))
      2.200     0.600     0.600 peak  1445 weight  0.10000E+01 volume  0.90120E-02 ppm1      7.879 ppm2      4.347 CV     1
 ASSI { 1446}
   ((resid 82   and name HN  ))
   ((resid 81   and name HA2 ))
      2.300     0.700     0.700 peak  1446 weight  0.10000E+01 volume  0.61148E-02 ppm1      7.883 ppm2      3.548 CV     1
 ASSI { 1448}
   ((resid 82   and name HN  ))
   ((resid 72   and name HB3 ))
      3.000     1.100     1.100 peak  1448 weight  0.10000E+01 volume  0.13100E-02 ppm1      7.875 ppm2      1.024 CV     1
 ASSI { 1451}
   ((resid 79   and name HN  ))
   ((resid 80   and name HN  ))
      4.200     2.300     1.800 peak  1451 weight  0.10000E+01 volume  0.17046E-03 ppm1      7.865 ppm2      9.064 CV     1
 ASSI { 1453}
   ((resid 79   and name HN  ))
   ((resid 79   and name HA  ))
      2.700     0.900     0.900 peak  1453 weight  0.10000E+01 volume  0.27415E-02 ppm1      7.860 ppm2      5.324 CV     1
 ASSI { 1454}
   ((resid 79   and name HN  ))
   ((resid 78   and name HA2 ))
      3.100     1.200     1.200 peak  1454 weight  0.10000E+01 volume  0.11973E-02 ppm1      7.860 ppm2      4.352 CV     1
 ASSI { 1455}
   ((resid 79   and name HN  ))
   ((resid 78   and name HA1 ))
      2.900     1.100     1.100 peak  1455 weight  0.10000E+01 volume  0.15207E-02 ppm1      7.864 ppm2      3.934 CV     1
 ASSI { 1456}
   ((resid 79   and name HN  ))
   ((resid 79   and name HB2 ))
      2.200     0.600     0.600 peak  1456 weight  0.10000E+01 volume  0.10114E-01 ppm1      7.867 ppm2      2.999 CV     1
 ASSI { 1458}
   ((resid 79   and name HN  ))
   ((resid 74   and name HB3 ))
      4.500     3.300     1.300 peak  1458 weight  0.10000E+01 volume  0.93315E-03 ppm1      7.860 ppm2      1.991 CV     1
 ASSI { 1496}
   ((resid 76   and name HN  ))
   ((resid 79   and name HB2 ))
      2.900     1.100     1.100 peak  1496 weight  0.10000E+01 volume  0.16329E-02 ppm1      7.810 ppm2      2.996 CV     1
 ASSI { 1498}
   ((resid 76   and name HN  ))
   ((resid 74   and name HB2 ))
      5.000     3.100     1.100 peak  1498 weight  0.10000E+01 volume  0.14744E-02 ppm1      7.812 ppm2      1.989 CV     1
 ASSI { 1504}
   ((resid 76   and name HN  ))
   ((resid 75   and name HA  ))
      2.900     1.000     1.000 peak  1504 weight  0.10000E+01 volume  0.17339E-02 ppm1      7.812 ppm2      4.385 CV     1
 ASSI { 1505}
   ((resid 76   and name HN  ))
   ((resid 76   and name HB2 ))
      2.800     1.000     1.000 peak  1505 weight  0.10000E+01 volume  0.19889E-02 ppm1      7.806 ppm2      2.830 CV     1
 ASSI { 1524}
   ((resid 97   and name HN  ))
   ((resid 96   and name HN  ))
      2.400     0.700     0.700 peak  1524 weight  0.10000E+01 volume  0.51973E-02 ppm1      7.742 ppm2      8.627 CV     1
 ASSI { 1526}
   ((resid 97   and name HN  ))
   ((resid 97   and name HD1 ))
      2.900     1.100     1.100 peak  1526 weight  0.10000E+01 volume  0.15846E-02 ppm1      7.744 ppm2      7.087 CV     1
 ASSI { 1527}
   ((resid 97   and name HN  ))
   ((resid 98   and name HD1 ))
      3.100     1.200     1.200 peak  1527 weight  0.10000E+01 volume  0.10890E-02 ppm1      7.744 ppm2      6.883 CV     1
 ASSI { 1528}
   ((resid 97   and name HN  ))
   ((resid 97   and name HA  ))
      2.900     1.000     1.000 peak  1528 weight  0.10000E+01 volume  0.18083E-02 ppm1      7.741 ppm2      5.216 CV     1
 ASSI { 1529}
   ((resid 97   and name HN  ))
   ((resid 97   and name HB2 ))
      2.300     0.600     0.600 peak  1529 weight  0.10000E+01 volume  0.73166E-02 ppm1      7.741 ppm2      2.933 CV     1
 ASSI { 1531}
   ((resid 97   and name HN  ))
   ((resid 96   and name HB3 ))
      2.500     0.800     0.800 peak  1531 weight  0.10000E+01 volume  0.38004E-02 ppm1      7.748 ppm2      1.731 CV     1
 ASSI { 1539}
   ((resid 97   and name HN  ))
   ((resid 96   and name HA  ))
      2.800     1.000     1.000 peak  1539 weight  0.10000E+01 volume  0.22706E-02 ppm1      7.745 ppm2      3.782 CV     1
 ASSI { 1555}
   ((resid 92   and name HN  ))
   ((resid 91   and name HN  ))
      2.200     0.600     0.600 peak  1555 weight  0.10000E+01 volume  0.81643E-02 ppm1      7.661 ppm2      9.209 CV     1
 ASSI { 1558}
   ((resid 92   and name HN  ))
   ((resid 100  and name HA  ))
      3.100     1.200     1.200 peak  1558 weight  0.10000E+01 volume  0.10578E-02 ppm1      7.661 ppm2      5.441 CV     1
 ASSI { 1559}
   ((resid 92   and name HN  ))
   ((resid 92   and name HA  ))
      2.300     0.700     0.700 peak  1559 weight  0.10000E+01 volume  0.65132E-02 ppm1      7.659 ppm2      4.301 CV     1
 ASSI { 1561}
   ((resid 92   and name HN  ))
   ((resid 92   and name HB3 ))
      3.000     1.100     1.100 peak  1561 weight  0.10000E+01 volume  0.13186E-02 ppm1      7.658 ppm2      1.917 CV     1
 ASSI { 1562}
   ((resid 92   and name HN  ))
   ((resid 99   and name HB3 ))
      2.600     0.900     0.900 peak  1562 weight  0.10000E+01 volume  0.30584E-02 ppm1      7.660 ppm2      1.653 CV     1
 ASSI { 1563}
   ((resid 92   and name HN  ))
   ((resid 91   and name HB2 ))
      2.500     0.800     0.800 peak  1563 weight  0.10000E+01 volume  0.37515E-02 ppm1      7.661 ppm2      1.563 CV     1
 ASSI { 1565}
   ((resid 92   and name HN  ))
   ((resid 91   and name HB3 ))
      2.700     0.900     0.900 peak  1565 weight  0.10000E+01 volume  0.24904E-02 ppm1      7.657 ppm2      1.239 CV     1
 ASSI { 1566}
   ((resid 92   and name HN  ))
   ( resid 91   and name HD1%)
      3.400     1.500     1.500 peak  1566 weight  0.10000E+01 volume  0.63058E-03 ppm1      7.660 ppm2      0.666 CV     1
 OR { 1566}
   ((resid 92   and name HN  ))
   ( resid 91   and name HD2%)
 ASSI { 1567}
   ((resid 92   and name HN  ))
   ( resid 90   and name HG2%)
      2.500     0.800     0.800 peak  1567 weight  0.10000E+01 volume  0.36746E-02 ppm1      7.660 ppm2      0.547 CV     1
 ASSI { 1578}
   ((resid 101  and name HE21))
   ((resid 101  and name HE22))
      1.800     0.400     0.400 peak  1578 weight  0.10000E+01 volume  0.30910E-01 ppm1      7.659 ppm2      6.750 CV     1
 ASSI { 1579}
   ((resid 101  and name HE21))
   ((resid 101  and name HG3 ))
      2.800     0.900     0.900 peak  1579 weight  0.10000E+01 volume  0.22856E-02 ppm1      7.659 ppm2      2.120 CV     1
 ASSI { 1588}
   ((resid 106  and name HN  ))
   ((resid 104  and name HN  ))
      3.200     1.300     1.300 peak  1588 weight  0.10000E+01 volume  0.91163E-03 ppm1      7.660 ppm2      8.480 CV     1
 ASSI { 1594}
   ((resid 106  and name HN  ))
   ((resid 105  and name HB  ))
      2.800     1.000     1.000 peak  1594 weight  0.10000E+01 volume  0.21422E-02 ppm1      7.666 ppm2      4.505 CV     1
 ASSI { 1595}
   ((resid 106  and name HN  ))
   ((resid 106  and name HA1 ))
      2.100     0.600     0.600 peak  1595 weight  0.10000E+01 volume  0.10818E-01 ppm1      7.664 ppm2      4.250 CV     1
 ASSI { 1596}
   ((resid 106  and name HN  ))
   ((resid 102  and name HB2 ))
      2.500     0.800     0.800 peak  1596 weight  0.10000E+01 volume  0.36778E-02 ppm1      7.666 ppm2      4.040 CV     1
 ASSI { 1597}
   ((resid 106  and name HN  ))
   ((resid 106  and name HA2 ))
      2.100     0.600     0.600 peak  1597 weight  0.10000E+01 volume  0.10792E-01 ppm1      7.664 ppm2      3.824 CV     1
 ASSI { 1599}
   ((resid 106  and name HN  ))
   ( resid 105  and name HG2%)
      3.100     1.200     1.200 peak  1599 weight  0.10000E+01 volume  0.10538E-02 ppm1      7.666 ppm2      1.258 CV     1
 ASSI { 1603}
   ((resid 115  and name HN  ))
   ((resid 114  and name HN  ))
      2.600     0.800     0.800 peak  1603 weight  0.10000E+01 volume  0.36309E-02 ppm1      7.665 ppm2      7.253 CV     1
 ASSI { 1604}
   ((resid 115  and name HN  ))
   ((resid 116  and name HN  ))
      2.200     0.600     0.600 peak  1604 weight  0.10000E+01 volume  0.96315E-02 ppm1      7.663 ppm2      7.027 CV     1
 ASSI { 1605}
   ((resid 115  and name HN  ))
   ((resid 115  and name HA  ))
      2.700     0.900     0.900 peak  1605 weight  0.10000E+01 volume  0.24167E-02 ppm1      7.662 ppm2      4.464 CV     1
 ASSI { 1607}
   ((resid 115  and name HN  ))
   ((resid 115  and name HB3 ))
      2.700     0.900     0.900 peak  1607 weight  0.10000E+01 volume  0.26038E-02 ppm1      7.662 ppm2      3.607 CV     1
 ASSI { 1608}
   ((resid 115  and name HN  ))
   ((resid 115  and name HB2 ))
      2.300     0.700     0.700 peak  1608 weight  0.10000E+01 volume  0.60828E-02 ppm1      7.662 ppm2      3.234 CV     1
 ASSI { 1610}
   ((resid 115  and name HN  ))
   ((resid 112  and name HB2 ))
      3.600     1.600     1.600 peak  1610 weight  0.10000E+01 volume  0.46182E-03 ppm1      7.666 ppm2      1.258 CV     1
 ASSI { 1611}
   ((resid 115  and name HN  ))
   ( resid 116  and name HG2%)
      3.000     1.100     1.100 peak  1611 weight  0.10000E+01 volume  0.12860E-02 ppm1      7.665 ppm2      0.671 CV     1
 ASSI { 1612}
   ((resid 115  and name HN  ))
   ((resid 112  and name HG2 ))
      4.200     2.200     1.800 peak  1612 weight  0.10000E+01 volume  0.18918E-03 ppm1      7.658 ppm2      0.614 CV     1
 ASSI { 1622}
   ((resid 73   and name HN  ))
   ((resid 72   and name HN  ))
      6.00     2.400     1.600 peak  1622 weight  0.10000E+01 volume  0.14431E-03 ppm1      7.631 ppm2      8.460 CV     1
 ASSI { 1625}
   ((resid 73   and name HN  ))
   ( resid 72   and name HD% )
      2.700     0.900     0.900 peak  1625 weight  0.10000E+01 volume  0.23736E-02 ppm1      7.626 ppm2      7.026 CV     1
 ASSI { 1626}
   ((resid 73   and name HN  ))
   ((resid 72   and name HA  ))
      2.000     0.500     0.500 peak  1626 weight  0.10000E+01 volume  0.15983E-01 ppm1      7.621 ppm2      4.624 CV     1
 ASSI { 1627}
   ((resid 73   and name HN  ))
   ((resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1627 weight  0.10000E+01 volume  0.34927E-02 ppm1      7.622 ppm2      4.503 CV     1
 ASSI { 1628}
   ((resid 73   and name HN  ))
   ((resid 72   and name HB2 ))
      3.400     1.400     1.400 peak  1628 weight  0.10000E+01 volume  0.67232E-03 ppm1      7.623 ppm2      2.253 CV     1
 ASSI { 1629}
   ((resid 73   and name HN  ))
   ((resid 73   and name HG3 ))
      3.000     1.100     1.100 peak  1629 weight  0.10000E+01 volume  0.13375E-02 ppm1      7.625 ppm2      2.029 CV     1
 ASSI { 1630}
   ((resid 73   and name HN  ))
   ((resid 73   and name HB3 ))
      2.500     0.800     0.800 peak  1630 weight  0.10000E+01 volume  0.37868E-02 ppm1      7.625 ppm2      1.691 CV     1
 ASSI { 1631}
   ((resid 73   and name HN  ))
   ((resid 73   and name HB2 ))
      2.400     0.700     0.700 peak  1631 weight  0.10000E+01 volume  0.54646E-02 ppm1      7.625 ppm2      1.608 CV     1
 ASSI { 1674}
   ((resid 113  and name HN  ))
   ((resid 114  and name HN  ))
      3.500     1.600     1.600 peak  1674 weight  0.10000E+01 volume  0.51262E-03 ppm1      7.547 ppm2      7.247 CV     1
 ASSI { 1675}
   ((resid 113  and name HN  ))
   ( resid 113  and name HD% )
      2.500     0.800     0.800 peak  1675 weight  0.10000E+01 volume  0.36687E-02 ppm1      7.549 ppm2      6.906 CV     1
 ASSI { 1680}
   ((resid 113  and name HN  ))
   ((resid 113  and name HB2 ))
      2.700     0.900     0.900 peak  1680 weight  0.10000E+01 volume  0.25856E-02 ppm1      7.545 ppm2      1.104 CV     1
 ASSI { 1692}
   ((resid 70   and name HN  ))
   ((resid 69   and name HN  ))
      2.200     0.600     0.600 peak  1692 weight  0.10000E+01 volume  0.77405E-02 ppm1      7.527 ppm2      9.446 CV     1
 ASSI { 1693}
   ((resid 70   and name HN  ))
   ((resid 70   and name HA  ))
      2.700     0.900     0.900 peak  1693 weight  0.10000E+01 volume  0.24030E-02 ppm1      7.526 ppm2      4.525 CV     1
 ASSI { 1697}
   ((resid 70   and name HN  ))
   ((resid 70   and name HB2 ))
      2.900     1.000     1.000 peak  1697 weight  0.10000E+01 volume  0.18291E-02 ppm1      7.529 ppm2      2.431 CV     1
 ASSI { 1698}
   ((resid 70   and name HN  ))
   ((resid 84   and name HB3 ))
      5.200     1.000     1.000 peak  1698 weight  0.10000E+01 volume  0.34907E-02 ppm1      7.526 ppm2      1.668 CV     1
 ASSI { 1699}
   ((resid 70   and name HN  ))
   ((resid 69   and name HG  ))
      3.500     1.600     1.600 peak  1699 weight  0.10000E+01 volume  0.50864E-03 ppm1      7.526 ppm2      1.349 CV     1
 ASSI { 1700}
   ((resid 70   and name HN  ))
   ((resid 69   and name HB2 ))
      3.100     1.200     1.200 peak  1700 weight  0.10000E+01 volume  0.11359E-02 ppm1      7.526 ppm2      1.221 CV     1
 ASSI { 1701}
   ((resid 70   and name HN  ))
   ((resid 69   and name HB3 ))
      3.300     1.400     1.400 peak  1701 weight  0.10000E+01 volume  0.73101E-03 ppm1      7.526 ppm2      1.064 CV     1
 ASSI { 1702}
   ((resid 70   and name HN  ))
   ( resid 69   and name HD2%)
      3.400     1.500     1.500 peak  1702 weight  0.10000E+01 volume  0.61793E-03 ppm1      7.526 ppm2      0.663 CV     1
 ASSI { 1712}
   ((resid 120  and name HD22))
   ((resid 120  and name HD21))
      1.800     0.400     0.400 peak  1712 weight  0.10000E+01 volume  0.25151E-01 ppm1      7.503 ppm2      6.802 CV     1
 ASSI { 1714}
   ((resid 120  and name HD22))
   ((resid 120  and name HB3 ))
      3.100     1.200     1.200 peak  1714 weight  0.10000E+01 volume  0.11835E-02 ppm1      7.491 ppm2      2.677 CV     1
 ASSI { 1735}
   ((resid 64   and name HD22))
   ((resid 64   and name HD21))
      1.800     0.400     0.400 peak  1735 weight  0.10000E+01 volume  0.33303E-01 ppm1      7.323 ppm2      6.633 CV     1
 ASSI { 1736}
   ((resid 64   and name HD22))
   ((resid 64   and name HB3 ))
      2.800     1.000     1.000 peak  1736 weight  0.10000E+01 volume  0.22080E-02 ppm1      7.320 ppm2      2.863 CV     1
 ASSI { 1743}
   ((resid 114  and name HD22))
   ((resid 114  and name HD21))
      2.100     0.500     0.500 peak  1743 weight  0.10000E+01 volume  0.13290E-01 ppm1      7.321 ppm2      6.522 CV     1
 ASSI { 1755}
   ((resid 114  and name HN  ))
   ((resid 116  and name HN  ))
      3.600     1.600     1.600 peak  1755 weight  0.10000E+01 volume  0.45693E-03 ppm1      7.250 ppm2      7.055 CV     1
 ASSI { 1756}
   ((resid 114  and name HN  ))
   ( resid 113  and name HD% )
      3.400     1.500     1.500 peak  1756 weight  0.10000E+01 volume  0.60339E-03 ppm1      7.249 ppm2      6.903 CV     1
 ASSI { 1761}
   ((resid 114  and name HN  ))
   ((resid 112  and name HB2 ))
      4.100     2.100     1.900 peak  1761 weight  0.10000E+01 volume  0.21663E-03 ppm1      7.252 ppm2      1.254 CV     1
 ASSI { 1780}
   ((resid 87   and name HE21))
   ((resid 87   and name HE22))
      1.700     0.400     0.500 peak  1780 weight  0.10000E+01 volume  0.43932E-01 ppm1      7.114 ppm2      6.713 CV     1
 ASSI { 1781}
   ((resid 87   and name HE21))
   ((resid 87   and name HG2 ))
      3.100     1.200     1.200 peak  1781 weight  0.10000E+01 volume  0.11751E-02 ppm1      7.110 ppm2      2.444 CV     1
 ASSI { 1782}
   ((resid 87   and name HE21))
   ((resid 87   and name HB3 ))
      3.900     1.900     1.900 peak  1782 weight  0.10000E+01 volume  0.29723E-03 ppm1      7.112 ppm2      2.081 CV     1
 ASSI { 1798}
   ((resid 116  and name HN  ))
   ((resid 115  and name HA  ))
      3.400     1.400     1.400 peak  1798 weight  0.10000E+01 volume  0.64375E-03 ppm1      7.027 ppm2      4.470 CV     1
 ASSI { 1800}
   ((resid 116  and name HN  ))
   ( resid 116  and name HG2%)
      2.300     0.600     0.600 peak  1800 weight  0.10000E+01 volume  0.74209E-02 ppm1      7.025 ppm2      0.679 CV     1
 ASSI { 1808}
   ((resid 107  and name HE22))
   ((resid 107  and name HE21))
      1.700     0.300     0.500 peak  1808 weight  0.10000E+01 volume  0.46338E-01 ppm1      6.954 ppm2      7.566 CV     1
 ASSI { 1865}
   ((resid 101  and name HE22))
   ((resid 101  and name HG3 ))
      3.000     1.100     1.100 peak  1865 weight  0.10000E+01 volume  0.13870E-02 ppm1      6.751 ppm2      2.121 CV     1
 ASSI { 1866}
   ((resid 101  and name HE22))
   ((resid 101  and name HG2 ))
      3.400     1.400     1.400 peak  1866 weight  0.10000E+01 volume  0.66123E-03 ppm1      6.753 ppm2      1.997 CV     1
 ASSI { 1868}
   ((resid 87   and name HE22))
   ((resid 87   and name HG2 ))
      3.600     1.600     1.600 peak  1868 weight  0.10000E+01 volume  0.49840E-03 ppm1      6.723 ppm2      2.450 CV     1
 ASSI { 1905}
   ((resid 93   and name HE21))
   ((resid 93   and name HE22))
      1.800     0.400     0.400 peak  1905 weight  0.10000E+01 volume  0.32520E-01 ppm1      6.518 ppm2      5.890 CV     1
 ASSI { 2041}
   ((resid 108  and name HN  ))
   ((resid 107  and name HN  ))
      3.200     1.300     1.300 peak  2041 weight  0.10000E+01 volume  0.95402E-03 ppm1      8.538 ppm2      7.891 CV     1
 ASSI { 2042}
   ((resid 64   and name HN  ))
   ((resid 90   and name HN  ))
      4.800     2.900     1.200 peak  2042 weight  0.10000E+01 volume  0.84447E-04 ppm1      8.495 ppm2      8.936 CV     1
 ASSI { 2053}
   ((resid 66   and name HN  ))
   ((resid 118  and name HA  ))
      4.800     2.900     1.200 peak  2053 weight  0.10000E+01 volume  0.83991E-04 ppm1      9.032 ppm2      4.246 CV     1
 ASSI { 2054}
   ((resid 66   and name HN  ))
   ( resid 119  and name HB% )
      4.200     1.800     1.800 peak  2054 weight  0.10000E+01 volume  0.31183E-03 ppm1      9.041 ppm2      1.245 CV     1
 ASSI { 2055}
   ((resid 66   and name HN  ))
   ((resid 88   and name HB3 ))
      4.600     2.600     1.400 peak  2055 weight  0.10000E+01 volume  0.10935E-03 ppm1      9.039 ppm2      1.154 CV     1
 ASSI { 2057}
   ((resid 79   and name HN  ))
   ((resid 110  and name HN  ))
      4.400     2.400     1.600 peak  2057 weight  0.10000E+01 volume  0.14445E-03 ppm1      7.862 ppm2      8.699 CV     1
 ASSI { 2059}
   ((resid 68   and name HN  ))
   ((resid 67   and name HN  ))
      4.000     2.000     2.000 peak  2059 weight  0.10000E+01 volume  0.22798E-03 ppm1      8.533 ppm2      8.964 CV     1
 ASSI { 2060}
   ((resid 68   and name HN  ))
   ((resid 88   and name HN  ))
      3.600     1.600     1.600 peak  2060 weight  0.10000E+01 volume  0.47199E-03 ppm1      8.530 ppm2      8.765 CV     1
 ASSI { 2061}
   ((resid 68   and name HN  ))
   ((resid 86   and name HB3 ))
      4.100     2.100     1.900 peak  2061 weight  0.10000E+01 volume  0.20841E-03 ppm1      8.534 ppm2      2.097 CV     1
 ASSI { 2062}
   ((resid 68   and name HN  ))
   ( resid 116  and name HG1%)
      5.200     3.400     0.800 peak  2062 weight  0.10000E+01 volume  0.48927E-04 ppm1      8.532 ppm2      0.375 CV     1
 ASSI { 2065}
   ((resid 70   and name HN  ))
   ((resid 116  and name HA  ))
      5.000     3.200     1.000 peak  2065 weight  0.10000E+01 volume  0.60893E-04 ppm1      7.528 ppm2      5.242 CV     1
 ASSI { 2066}
   ((resid 70   and name HN  ))
   ((resid 115  and name HB3 ))
      4.400     2.500     1.600 peak  2066 weight  0.10000E+01 volume  0.13133E-03 ppm1      7.528 ppm2      3.616 CV     1
 ASSI { 2074}
   ((resid 73   and name HN  ))
   ( resid 72   and name HE% )
      4.100     2.100     1.900 peak  2074 weight  0.10000E+01 volume  0.20475E-03 ppm1      7.621 ppm2      6.707 CV     1
 ASSI { 2075}
   ((resid 73   and name HN  ))
   ((resid 74   and name HD3 ))
      3.800     1.800     1.800 peak  2075 weight  0.10000E+01 volume  0.31183E-03 ppm1      7.623 ppm2      3.555 CV     1
 ASSI { 2079}
   ((resid 71   and name HN  ))
   ((resid 84   and name HA  ))
      4.800     2.800     1.200 peak  2079 weight  0.10000E+01 volume  0.86078E-04 ppm1      8.984 ppm2      3.356 CV     1
 ASSI { 2080}
   ((resid 71   and name HN  ))
   ((resid 84   and name HG2 ))
      4.800     2.800     1.200 peak  2080 weight  0.10000E+01 volume  0.85425E-04 ppm1      8.977 ppm2      1.032 CV     1
 ASSI { 2082}
   ((resid 75   and name HN  ))
   ( resid 72   and name HE% )
      3.800     1.800     1.800 peak  2082 weight  0.10000E+01 volume  0.31581E-03 ppm1      8.594 ppm2      6.708 CV     1
 ASSI { 2094}
   ((resid 80   and name HN  ))
   ( resid 72   and name HD% )
      4.400     2.500     1.600 peak  2094 weight  0.10000E+01 volume  0.13257E-03 ppm1      9.082 ppm2      6.699 CV     1
 ASSI { 2098}
   ((resid 81   and name HN  ))
   ((resid 80   and name HN  ))
      4.700     2.800     1.300 peak  2098 weight  0.10000E+01 volume  0.89990E-04 ppm1      8.168 ppm2      9.083 CV     1
 ASSI { 2100}
   ((resid 81   and name HN  ))
   ( resid 82   and name HD% )
      4.300     2.300     1.700 peak  2100 weight  0.10000E+01 volume  0.16954E-03 ppm1      8.166 ppm2      6.980 CV     1
 ASSI { 2101}
   ((resid 82   and name HN  ))
   ((resid 72   and name HB2 ))
      3.800     1.800     1.800 peak  2101 weight  0.10000E+01 volume  0.34678E-03 ppm1      7.885 ppm2      2.249 CV     1
 ASSI { 2103}
   ((resid 82   and name HN  ))
   ((resid 73   and name HA  ))
      3.400     1.400     1.400 peak  2103 weight  0.10000E+01 volume  0.70818E-03 ppm1      7.881 ppm2      4.498 CV     1
 ASSI { 2104}
   ((resid 82   and name HN  ))
   ((resid 72   and name HA  ))
      3.400     1.400     1.400 peak  2104 weight  0.10000E+01 volume  0.67232E-03 ppm1      7.883 ppm2      4.619 CV     1
 ASSI { 2107}
   ((resid 83   and name HN  ))
   ((resid 82   and name HN  ))
      3.900     1.900     1.900 peak  2107 weight  0.10000E+01 volume  0.26613E-03 ppm1      8.983 ppm2      7.878 CV     1
 ASSI { 2109}
   ((resid 83   and name HN  ))
   ( resid 68   and name HB% )
      4.800     2.900     1.200 peak  2109 weight  0.10000E+01 volume  0.77274E-04 ppm1      8.983 ppm2      1.666 CV     1
 ASSI { 2110}
   ((resid 84   and name HN  ))
   ((resid 83   and name HN  ))
      3.600     1.600     1.600 peak  2110 weight  0.10000E+01 volume  0.45628E-03 ppm1      8.343 ppm2      8.975 CV     1
 ASSI { 2111}
   ((resid 84   and name HN  ))
   ((resid 85   and name HN  ))
      3.700     1.700     1.700 peak  2111 weight  0.10000E+01 volume  0.40867E-03 ppm1      8.340 ppm2      8.827 CV     1
 ASSI { 2113}
   ((resid 84   and name HN  ))
   ((resid 83   and name HG2 ))
      3.400     1.400     1.400 peak  2113 weight  0.10000E+01 volume  0.68014E-03 ppm1      8.347 ppm2      2.367 CV     1
 OR { 2113}
   ((resid 84   and name HN  ))
   ((resid 83   and name HG3 ))
 ASSI { 2114}
   ((resid 86   and name HN  ))
   ( resid 67   and name HG2%)
      4.100     2.100     1.900 peak  2114 weight  0.10000E+01 volume  0.19980E-03 ppm1      8.118 ppm2      0.758 CV     1
 ASSI { 2115}
   ((resid 86   and name HN  ))
   ((resid 83   and name HB3 ))
      4.500     2.500     1.500 peak  2115 weight  0.10000E+01 volume  0.12821E-03 ppm1      8.113 ppm2      1.929 CV     1
 ASSI { 2117}
   ((resid 86   and name HN  ))
   ((resid 83   and name HN  ))
      3.600     1.700     1.700 peak  2117 weight  0.10000E+01 volume  0.43091E-03 ppm1      8.117 ppm2      8.976 CV     1
 ASSI { 2120}
   ((resid 87   and name HE22))
   ((resid 87   and name HB3 ))
      3.700     1.800     1.800 peak  2120 weight  0.10000E+01 volume  0.36218E-03 ppm1      6.724 ppm2      2.089 CV     1
 ASSI { 2121}
   ((resid 87   and name HE21))
   ( resid 65   and name HD2%)
      3.600     1.700     1.700 peak  2121 weight  0.10000E+01 volume  0.43013E-03 ppm1      7.107 ppm2      0.777 CV     1
 ASSI { 2122}
   ((resid 87   and name HE21))
   ( resid 65   and name HD1%)
      3.600     1.600     1.600 peak  2122 weight  0.10000E+01 volume  0.44877E-03 ppm1      7.107 ppm2      0.835 CV     1
 ASSI { 2124}
   ((resid 87   and name HE22))
   ( resid 65   and name HD1%)
      3.700     1.700     1.700 peak  2124 weight  0.10000E+01 volume  0.39752E-03 ppm1      6.725 ppm2      0.833 CV     1
 ASSI { 2129}
   ((resid 88   and name HN  ))
   ((resid 87   and name HN  ))
      3.700     1.700     1.700 peak  2129 weight  0.10000E+01 volume  0.37215E-03 ppm1      8.779 ppm2      8.388 CV     1
 ASSI { 2131}
   ((resid 89   and name HN  ))
   ((resid 101  and name HB3 ))
      3.800     1.900     1.900 peak  2131 weight  0.10000E+01 volume  0.30864E-03 ppm1      8.758 ppm2      1.948 CV     1
 ASSI { 2135}
   ((resid 90   and name HN  ))
   ((resid 91   and name HN  ))
      4.700     2.800     1.300 peak  2135 weight  0.10000E+01 volume  0.87903E-04 ppm1      8.937 ppm2      9.197 CV     1
 ASSI { 2139}
   ((resid 91   and name HN  ))
   ((resid 90   and name HB  ))
      3.700     1.700     1.700 peak  2139 weight  0.10000E+01 volume  0.39661E-03 ppm1      9.214 ppm2      1.953 CV     1
 ASSI { 2142}
   ((resid 93   and name HN  ))
   ((resid 92   and name HN  ))
      3.600     1.700     1.700 peak  2142 weight  0.10000E+01 volume  0.42472E-03 ppm1      8.597 ppm2      7.655 CV     1
 ASSI { 2143}
   ((resid 92   and name HN  ))
   ((resid 92   and name HG2 ))
      3.800     1.800     1.800 peak  2143 weight  0.10000E+01 volume  0.31053E-03 ppm1      7.659 ppm2      2.131 CV     1
 ASSI { 2144}
   ((resid 92   and name HN  ))
   ((resid 92   and name HG3 ))
      4.200     2.200     1.800 peak  2144 weight  0.10000E+01 volume  0.17685E-03 ppm1      7.659 ppm2      2.223 CV     1
 ASSI { 2148}
   ((resid 94   and name HN  ))
   ((resid 93   and name HG2 ))
      4.500     2.600     1.500 peak  2148 weight  0.10000E+01 volume  0.11555E-03 ppm1      8.122 ppm2      0.800 CV     1
 ASSI { 2149}
   ((resid 94   and name HN  ))
   ((resid 93   and name HG3 ))
      3.700     1.700     1.700 peak  2149 weight  0.10000E+01 volume  0.36485E-03 ppm1      8.124 ppm2      0.967 CV     1
 ASSI { 2150}
   ((resid 94   and name HN  ))
   ((resid 93   and name HB3 ))
      4.500     2.500     1.500 peak  2150 weight  0.10000E+01 volume  0.11999E-03 ppm1      8.132 ppm2      1.167 CV     1
 ASSI { 2151}
   ((resid 94   and name HN  ))
   ((resid 92   and name HA  ))
      5.200     3.400     0.800 peak  2151 weight  0.10000E+01 volume  0.50818E-04 ppm1      8.126 ppm2      4.293 CV     1
 ASSI { 2154}
   ((resid 95   and name HN  ))
   ((resid 98   and name HD1 ))
      5.300     3.500     0.700 peak  2154 weight  0.10000E+01 volume  0.44356E-04 ppm1      8.497 ppm2      6.877 CV     1
 ASSI { 2155}
   ((resid 96   and name HN  ))
   ((resid 97   and name HD1 ))
      4.900     3.100     1.100 peak  2155 weight  0.10000E+01 volume  0.68210E-04 ppm1      8.632 ppm2      7.090 CV     1
 ASSI { 2156}
   ((resid 96   and name HN  ))
   ((resid 98   and name HD1 ))
      5.100     3.200     0.900 peak  2156 weight  0.10000E+01 volume  0.56987E-04 ppm1      8.632 ppm2      6.882 CV     1
 ASSI { 2157}
   ((resid 97   and name HN  ))
   ((resid 98   and name HN  ))
      5.000     3.100     1.000 peak  2157 weight  0.10000E+01 volume  0.67427E-04 ppm1      7.742 ppm2      9.012 CV     1
 ASSI { 2159}
   ((resid 97   and name HE1 ))
   ((resid 96   and name HG2 ))
      4.400     2.500     1.600 peak  2159 weight  0.10000E+01 volume  0.13120E-03 ppm1      9.962 ppm2      1.844 CV     1
 ASSI { 2160}
   ((resid 97   and name HE1 ))
   ((resid 97   and name HB2 ))
      4.200     2.200     1.800 peak  2160 weight  0.10000E+01 volume  0.18747E-03 ppm1      9.964 ppm2      2.929 CV     1
 ASSI { 2164}
   ((resid 98   and name HN  ))
   ((resid 98   and name HD1 ))
      4.200     2.200     1.800 peak  2164 weight  0.10000E+01 volume  0.18351E-03 ppm1      9.019 ppm2      6.887 CV     1
 ASSI { 2168}
   ((resid 98   and name HN  ))
   ((resid 99   and name HN  ))
      4.500     2.500     1.500 peak  2168 weight  0.10000E+01 volume  0.12351E-03 ppm1      9.020 ppm2      8.716 CV     1
 ASSI { 2170}
   ((resid 98   and name HE1 ))
   ((resid 95   and name HN  ))
      5.200     3.300     0.800 peak  2170 weight  0.10000E+01 volume  0.53022E-04 ppm1      9.527 ppm2      8.490 CV     1
 ASSI { 2173}
   ((resid 98   and name HE1 ))
   ((resid 93   and name HG2 ))
      5.200     3.400     0.800 peak  2173 weight  0.10000E+01 volume  0.48405E-04 ppm1      9.521 ppm2      0.805 CV     1
 ASSI { 2174}
   ((resid 99   and name HN  ))
   ((resid 98   and name HD1 ))
      3.700     1.700     1.700 peak  2174 weight  0.10000E+01 volume  0.38344E-03 ppm1      8.720 ppm2      6.885 CV     1
 ASSI { 2177}
   ((resid 99   and name HN  ))
   ((resid 91   and name HN  ))
      4.700     2.700     1.300 peak  2177 weight  0.10000E+01 volume  0.94881E-04 ppm1      8.723 ppm2      9.217 CV     1
 ASSI { 2178}
   ((resid 100  and name HN  ))
   ((resid 91   and name HN  ))
      4.500     2.500     1.500 peak  2178 weight  0.10000E+01 volume  0.12181E-03 ppm1      9.403 ppm2      9.204 CV     1
 ASSI { 2179}
   ((resid 100  and name HN  ))
   ((resid 101  and name HN  ))
      4.700     2.700     1.300 peak  2179 weight  0.10000E+01 volume  0.94098E-04 ppm1      9.407 ppm2      8.964 CV     1
 ASSI { 2189}
   ((resid 101  and name HN  ))
   ((resid 101  and name HG2 ))
      3.500     1.500     1.500 peak  2189 weight  0.10000E+01 volume  0.53172E-03 ppm1      8.957 ppm2      2.097 CV     1
 ASSI { 2191}
   ((resid 101  and name HE21))
   ( resid 91   and name HD2%)
      4.700     2.800     1.300 peak  2191 weight  0.10000E+01 volume  0.93120E-04 ppm1      7.669 ppm2      0.676 CV     1
 ASSI { 2193}
   ((resid 101  and name HE21))
   ((resid 103  and name HG  ))
      5.900     4.400     0.100 peak  2193 weight  0.10000E+01 volume  0.23515E-04 ppm1      7.662 ppm2      1.713 CV     1
 ASSI { 2196}
   ((resid 101  and name HE21))
   ((resid 106  and name HA1 ))
      4.200     2.200     1.800 peak  2196 weight  0.10000E+01 volume  0.17685E-03 ppm1      7.661 ppm2      4.232 CV     1
 ASSI { 2198}
   ((resid 101  and name HE22))
   ((resid 106  and name HA1 ))
      5.300     3.500     0.700 peak  2198 weight  0.10000E+01 volume  0.46671E-04 ppm1      6.757 ppm2      4.217 CV     1
 ASSI { 2199}
   ((resid 101  and name HE21))
   ((resid 108  and name HG3 ))
      4.000     2.000     2.000 peak  2199 weight  0.10000E+01 volume  0.25778E-03 ppm1      7.657 ppm2      2.241 CV     1
 ASSI { 2200}
   ((resid 101  and name HE22))
   ((resid 108  and name HG3 ))
      4.900     3.000     1.100 peak  2200 weight  0.10000E+01 volume  0.69122E-04 ppm1      6.751 ppm2      2.261 CV     1
 ASSI { 2201}
   ((resid 102  and name HN  ))
   ((resid 88   and name HA  ))
      5.300     3.500     0.700 peak  2201 weight  0.10000E+01 volume  0.45498E-04 ppm1      8.769 ppm2      5.027 CV     1
 ASSI { 2202}
   ((resid 102  and name HN  ))
   ( resid 100  and name HB% )
      4.800     2.900     1.200 peak  2202 weight  0.10000E+01 volume  0.81513E-04 ppm1      8.768 ppm2      1.213 CV     1
 ASSI { 2205}
   ((resid 103  and name HN  ))
   ((resid 87   and name HB3 ))
      3.800     1.800     1.800 peak  2205 weight  0.10000E+01 volume  0.35227E-03 ppm1      8.869 ppm2      1.982 CV     1
 ASSI { 2208}
   ((resid 104  and name HN  ))
   ( resid 88   and name HD2%)
      4.600     2.700     1.400 peak  2208 weight  0.10000E+01 volume  0.10485E-03 ppm1      8.482 ppm2      0.632 CV     1
 ASSI { 2210}
   ((resid 104  and name HN  ))
   ((resid 105  and name HB  ))
      3.900     1.900     1.900 peak  2210 weight  0.10000E+01 volume  0.28575E-03 ppm1      8.480 ppm2      4.515 CV     1
 ASSI { 2212}
   ((resid 105  and name HN  ))
   ((resid 102  and name HB2 ))
      3.400     1.400     1.400 peak  2212 weight  0.10000E+01 volume  0.65406E-03 ppm1      8.116 ppm2      4.023 CV     1
 ASSI { 2213}
   ((resid 105  and name HN  ))
   ((resid 102  and name HN  ))
      4.600     2.700     1.400 peak  2213 weight  0.10000E+01 volume  0.10277E-03 ppm1      8.116 ppm2      8.754 CV     1
 ASSI { 2214}
   ((resid 105  and name HN  ))
   ((resid 103  and name HN  ))
      6.000     5.900     0.000 peak  2214 weight  0.10000E+01 volume  0.97033E-05 ppm1      8.118 ppm2      8.861 CV     1
 ASSI { 2217}
   ((resid 106  and name HN  ))
   ( resid 80   and name HD1%)
      4.500     2.500     1.500 peak  2217 weight  0.10000E+01 volume  0.12637E-03 ppm1      7.662 ppm2      0.797 CV     1
 ASSI { 2219}
   ((resid 107  and name HE22))
   ((resid 107  and name HG3 ))
      3.500     1.500     1.500 peak  2219 weight  0.10000E+01 volume  0.56902E-03 ppm1      6.955 ppm2      2.409 CV     1
 ASSI { 2221}
   ((resid 68   and name HN  ))
   ((resid 69   and name HN  ))
      5.200     3.400     0.800 peak  2221 weight  0.10000E+01 volume  0.49906E-04 ppm1      8.531 ppm2      9.441 CV     1
 ASSI { 2222}
   ((resid 88   and name HN  ))
   ( resid 88   and name HD1%)
      3.500     1.500     1.500 peak  2222 weight  0.10000E+01 volume  0.57600E-03 ppm1      8.773 ppm2      0.036 CV     1
 ASSI { 2224}
   ((resid 108  and name HN  ))
   ( resid 80   and name HD2%)
      4.600     2.600     1.400 peak  2224 weight  0.10000E+01 volume  0.11145E-03 ppm1      8.540 ppm2      0.656 CV     1
 ASSI { 2226}
   ((resid 109  and name HN  ))
   ((resid 108  and name HG3 ))
      4.000     2.000     2.000 peak  2226 weight  0.10000E+01 volume  0.23509E-03 ppm1      8.721 ppm2      2.246 CV     1
 ASSI { 2227}
   ((resid 109  and name HN  ))
   ((resid 99   and name HA  ))
      3.900     1.900     1.900 peak  2227 weight  0.10000E+01 volume  0.28490E-03 ppm1      8.720 ppm2      4.431 CV     1
 ASSI { 2229}
   ((resid 109  and name HN  ))
   ((resid 100  and name HA  ))
      5.000     3.200     1.000 peak  2229 weight  0.10000E+01 volume  0.61858E-04 ppm1      8.721 ppm2      5.446 CV     1
 ASSI { 2232}
   ((resid 110  and name HN  ))
   ((resid 111  and name HN  ))
      4.600     2.600     1.400 peak  2232 weight  0.10000E+01 volume  0.11164E-03 ppm1      8.704 ppm2      9.565 CV     1
 ASSI { 2234}
   ((resid 110  and name HN  ))
   ((resid 79   and name HB3 ))
      3.500     1.500     1.500 peak  2234 weight  0.10000E+01 volume  0.56198E-03 ppm1      8.706 ppm2      2.952 CV     1
 OR { 2234}
   ((resid 110  and name HN  ))
   ((resid 79   and name HB2 ))
 ASSI { 2236}
   ((resid 110  and name HN  ))
   ((resid 80   and name HG  ))
      4.900     3.000     1.100 peak  2236 weight  0.10000E+01 volume  0.73818E-04 ppm1      8.699 ppm2      1.755 CV     1
 ASSI { 2237}
   ((resid 110  and name HN  ))
   ((resid 99   and name HA  ))
      4.000     2.000     2.000 peak  2237 weight  0.10000E+01 volume  0.22895E-03 ppm1      8.701 ppm2      4.364 CV     1
 ASSI { 2238}
   ((resid 110  and name HN  ))
   ((resid 80   and name HA  ))
      4.900     3.100     1.100 peak  2238 weight  0.10000E+01 volume  0.68144E-04 ppm1      8.704 ppm2      4.525 CV     1
 ASSI { 2243}
   ((resid 111  and name HN  ))
   ( resid 100  and name HB% )
      4.200     2.200     1.800 peak  2243 weight  0.10000E+01 volume  0.18911E-03 ppm1      9.566 ppm2      1.211 CV     1
 ASSI { 2244}
   ((resid 113  and name HN  ))
   ((resid 112  and name HB2 ))
      3.900     1.900     1.900 peak  2244 weight  0.10000E+01 volume  0.30395E-03 ppm1      7.549 ppm2      1.231 CV     1
 ASSI { 2246}
   ((resid 113  and name HN  ))
   ((resid 98   and name HN  ))
      4.500     2.500     1.500 peak  2246 weight  0.10000E+01 volume  0.11862E-03 ppm1      7.538 ppm2      9.011 CV     1
 ASSI { 2251}
   ((resid 116  and name HN  ))
   ((resid 115  and name HB3 ))
      4.800     2.900     1.200 peak  2251 weight  0.10000E+01 volume  0.77730E-04 ppm1      7.030 ppm2      3.623 CV     1
 ASSI { 2252}
   ((resid 116  and name HN  ))
   ((resid 115  and name HB2 ))
      4.300     2.400     1.700 peak  2252 weight  0.10000E+01 volume  0.15051E-03 ppm1      7.027 ppm2      3.232 CV     1
 ASSI { 2253}
   ((resid 116  and name HN  ))
   ((resid 116  and name HB  ))
      3.800     1.800     1.800 peak  2253 weight  0.10000E+01 volume  0.33505E-03 ppm1      7.019 ppm2      1.767 CV     1
 ASSI { 2257}
   ((resid 116  and name HN  ))
   ((resid 117  and name HN  ))
      4.400     1.800     1.800 peak  2257 weight  0.10000E+01 volume  0.33237E-03 ppm1      7.029 ppm2      8.554 CV     1
 ASSI { 2260}
   ((resid 119  and name HN  ))
   ((resid 66   and name HB  ))
      3.500     1.500     1.500 peak  2260 weight  0.10000E+01 volume  0.53459E-03 ppm1      8.330 ppm2      2.015 CV     1
 ASSI { 2262}
   ((resid 120  and name HN  ))
   ( resid 66   and name HG1%)
      6.00     6.0     1.00 peak  2262 weight  0.10000E+01 volume  0.29534E-03 ppm1      7.920 ppm2      0.781 CV     1
 ASSI { 2264}
   ((resid 115  and name HN  ))
   ((resid 82   and name HZ  ))
      3.900     1.900     1.900 peak  2264 weight  0.10000E+01 volume  0.28555E-03 ppm1      7.662 ppm2      6.791 CV     1
 ASSI { 2275}
   ((resid 90   and name HN  ))
   ((resid 89   and name HD2 ))
      5.000     3.100     1.000 peak  2275 weight  0.10000E+01 volume  0.67362E-04 ppm1      8.942 ppm2      3.135 CV     1
 ASSI { 2276}
   ((resid 90   and name HN  ))
   ((resid 100  and name HA  ))
      4.300     2.300     1.700 peak  2276 weight  0.10000E+01 volume  0.16655E-03 ppm1      8.942 ppm2      5.436 CV     1
 ASSI { 2279}
   ((resid 90   and name HN  ))
   ((resid 64   and name HA  ))
      4.200     2.200     1.800 peak  2279 weight  0.10000E+01 volume  0.19106E-03 ppm1      8.928 ppm2      4.677 CV     1
 ASSI { 2282}
   ((resid 99   and name HN  ))
   ((resid 100  and name HN  ))
      4.500     2.500     1.500 peak  2282 weight  0.10000E+01 volume  0.12749E-03 ppm1      8.722 ppm2      9.403 CV     1
 ASSI { 2284}
   ((resid 99   and name HN  ))
   ( resid 110  and name HD% )
      5.200     3.400     0.800 peak  2284 weight  0.10000E+01 volume  0.51046E-04 ppm1      8.722 ppm2      7.193 CV     1
 ASSI { 2293}
   ((resid 94   and name HN  ))
   ((resid 99   and name HN  ))
      4.100     2.100     1.900 peak  2293 weight  0.10000E+01 volume  0.20985E-03 ppm1      8.128 ppm2      8.714 CV     1
 ASSI { 2294}
   ((resid 94   and name HN  ))
   ((resid 98   and name HE1 ))
      4.200     2.200     1.800 peak  2294 weight  0.10000E+01 volume  0.19211E-03 ppm1      8.135 ppm2      9.519 CV     1
 ASSI { 2300}
   ((resid 98   and name HE1 ))
   ((resid 94   and name HA  ))
      5.500     3.700     0.500 peak  2300 weight  0.10000E+01 volume  0.38017E-04 ppm1      9.531 ppm2      4.591 CV     1
 ASSI { 2303}
   ((resid 95   and name HN  ))
   ((resid 97   and name HN  ))
      5.800     4.200     0.200 peak  2303 weight  0.10000E+01 volume  0.26560E-04 ppm1      8.497 ppm2      7.736 CV     1
 ASSI { 2305}
   ((resid 111  and name HN  ))
   ((resid 100  and name HN  ))
      3.400     1.500     1.500 peak  2305 weight  0.10000E+01 volume  0.61193E-03 ppm1      9.576 ppm2      9.404 CV     1
 ASSI { 2309}
   ((resid 64   and name HN  ))
   ((resid 64   and name HD22))
      4.200     2.200     1.800 peak  2309 weight  0.10000E+01 volume  0.18031E-03 ppm1      8.489 ppm2      7.316 CV     1
 ASSI { 2313}
   ((resid 68   and name HN  ))
   ( resid 82   and name HD% )
      5.100     3.200     0.900 peak  2313 weight  0.10000E+01 volume  0.59191E-04 ppm1      8.532 ppm2      6.974 CV     1
 ASSI { 2316}
   ((resid 89   and name HN  ))
   ((resid 89   and name HD2 ))
      4.600     2.700     1.400 peak  2316 weight  0.10000E+01 volume  0.10323E-03 ppm1      8.756 ppm2      3.133 CV     1
 OR { 2316}
   ((resid 89   and name HN  ))
   ((resid 89   and name HD3 ))
 ASSI { 2318}
   ((resid 89   and name HN  ))
   ((resid 102  and name HA  ))
      4.500     2.600     1.500 peak  2318 weight  0.10000E+01 volume  0.11601E-03 ppm1      8.761 ppm2      4.667 CV     1
 ASSI { 2323}
   ((resid 65   and name HN  ))
   ((resid 66   and name HN  ))
      3.300     1.400     1.400 peak  2323 weight  0.10000E+01 volume  0.77339E-03 ppm1      7.896 ppm2      9.043 CV     1
 ASSI { 2324}
   ((resid 83   and name HN  ))
   ( resid 88   and name HD1%)
      6.0    1.4     1.400 peak  2324 weight  0.10000E+01 volume  0.10160E-03 ppm1      8.983 ppm2      0.035 CV     1
 ASSI { 2329}
   ((resid 115  and name HN  ))
   ((resid 116  and name HA  ))
      4.400     2.400     1.600 peak  2329 weight  0.10000E+01 volume  0.13890E-03 ppm1      7.661 ppm2      5.236 CV     1
 ASSI { 2330}
   ((resid 117  and name HN  ))
   ((resid 66   and name HA  ))
      4.400     1.700     1.700 peak  2330 weight  0.10000E+01 volume  0.37346E-03 ppm1      8.554 ppm2      4.938 CV     1
 ASSI { 2333}
   ((resid 72   and name HN  ))
   ((resid 84   and name HB3 ))
      5.500     3.800     0.500 peak  2333 weight  0.10000E+01 volume  0.36127E-04 ppm1      8.460 ppm2      1.625 CV     1
 ASSI { 2355}
   ((resid 88   and name HN  ))
   ( resid 88   and name HD2%)
      4.200     2.200     1.800 peak  2355 weight  0.10000E+01 volume  0.19165E-03 ppm1      8.775 ppm2      0.650 CV     1
 ASSI { 2359}
   ((resid 69   and name HN  ))
   ((resid 116  and name HB  ))
      3.800     1.800     1.800 peak  2359 weight  0.10000E+01 volume  0.34438E-03 ppm1      9.445 ppm2      1.761 CV     1
 ASSI { 2361}
   ((resid 120  and name HN  ))
   ((resid 120  and name HB2 ))
      2.900     1.000     1.000 peak  2361 weight  0.10000E+01 volume  0.18304E-02 ppm1      7.921 ppm2      2.656 CV     1
 ASSI { 2362}
   ((resid 70   and name HN  ))
   ((resid 70   and name HD2 ))
      4.700     2.800     1.300 peak  2362 weight  0.10000E+01 volume  0.93903E-04 ppm1      7.529 ppm2      6.424 CV     1
 ASSI { 2373}
   ((resid 106  and name HN  ))
   ((resid 103  and name HN  ))
      6.000     6.000     0.000 peak  2373 weight  0.10000E+01 volume  0.86403E-05 ppm1      7.664 ppm2      8.890 CV     1
 ASSI { 2380}
   ((resid 101  and name HN  ))
   ( resid 111  and name HD1%)
      4.300     2.300     1.700 peak  2380 weight  0.10000E+01 volume  0.15872E-03 ppm1      8.959 ppm2      0.455 CV     1
 ASSI { 2383}
   ((resid 92   and name HN  ))
   ( resid 90   and name HD1%)
      3.600     1.600     1.600 peak  2383 weight  0.10000E+01 volume  0.45628E-03 ppm1      7.663 ppm2      0.738 CV     1
 ASSI { 2390}
   ((resid 89   and name HN  ))
   ( resid 100  and name HB% )
      2.800     1.000     1.000 peak  2390 weight  0.10000E+01 volume  0.19908E-02 ppm1      8.760 ppm2      1.212 CV     1
 ASSI { 2399}
   ((resid 88   and name HN  ))
   ((resid 65   and name HB3 ))
      4.800     2.900     1.200 peak  2399 weight  0.10000E+01 volume  0.82425E-04 ppm1      8.777 ppm2      1.708 CV     1
 ASSI { 2404}
   ((resid 93   and name HE21))
   ((resid 98   and name HH2 ))
      4.300     2.300     1.700 peak  2404 weight  0.10000E+01 volume  0.15213E-03 ppm1      6.522 ppm2      7.224 CV     1
 ASSI { 2406}
   ((resid 79   and name HN  ))
   ((resid 110  and name HB2 ))
      3.200     1.300     1.300 peak  2406 weight  0.10000E+01 volume  0.98077E-03 ppm1      7.860 ppm2      3.132 CV     1
 ASSI { 2414}
   ((resid 65   and name HN  ))
   ( resid 119  and name HB% )
      6.000     1.100     1.000 peak  2414 weight  0.10000E+01 volume  0.62967E-04 ppm1      7.900 ppm2      1.241 CV     1
 ASSI { 2428}
   ((resid 97   and name HE1 ))
   ((resid 96   and name HG3 ))
      4.600     2.700     1.400 peak  2428 weight  0.10000E+01 volume  0.10381E-03 ppm1      9.963 ppm2      1.960 CV     1
 ASSI { 2429}
   ((resid 91   and name HN  ))
   ((resid 99   and name HD2 ))
      4.900     2.900     1.100 peak  2429 weight  0.10000E+01 volume  0.76557E-04 ppm1      9.213 ppm2      1.111 CV     1
 ASSI { 2462}
   ((resid 108  and name HN  ))
   ((resid 101  and name HA  ))
      4.300     2.300     1.700 peak  2462 weight  0.10000E+01 volume  0.16785E-03 ppm1      8.538 ppm2      5.267 CV     1
 ASSI { 2463}
   ((resid 64   and name HN  ))
   ((resid 64   and name HA  ))
      2.500     0.800     0.800 peak  2463 weight  0.10000E+01 volume  0.42615E-02 ppm1      8.493 ppm2      4.666 CV     1
 ASSI { 2464}
   ((resid 64   and name HN  ))
   ( resid 65   and name HD2%)
      3.700     1.700     1.700 peak  2464 weight  0.10000E+01 volume  0.39674E-03 ppm1      8.489 ppm2      0.780 CV     1
 OR { 2464}
   ((resid 64   and name HN  ))
   ( resid 65   and name HD1%)
 ASSI { 2466}
   ((resid 104  and name HN  ))
   ((resid 102  and name HA  ))
      3.000     1.100     1.100 peak  2466 weight  0.10000E+01 volume  0.14698E-02 ppm1      8.480 ppm2      4.667 CV     1
 ASSI { 2467}
   ((resid 102  and name HN  ))
   ((resid 106  and name HA1 ))
      3.800     1.800     1.800 peak  2467 weight  0.10000E+01 volume  0.32292E-03 ppm1      8.768 ppm2      3.824 CV     1
 ASSI { 2468}
   ((resid 102  and name HN  ))
   ((resid 107  and name HG3 ))
      4.500     2.600     1.500 peak  2468 weight  0.10000E+01 volume  0.11307E-03 ppm1      8.768 ppm2      2.396 CV     1
 OR { 2468}
   ((resid 102  and name HN  ))
   ((resid 107  and name HG2 ))
 ASSI { 2469}
   ((resid 102  and name HN  ))
   ((resid 108  and name HG3 ))
      4.500     2.500     1.500 peak  2469 weight  0.10000E+01 volume  0.12689E-03 ppm1      8.765 ppm2      2.236 CV     1
 ASSI { 2470}
   ((resid 97   and name HN  ))
   ((resid 95   and name HA2 ))
      2.800     1.000     1.000 peak  2470 weight  0.10000E+01 volume  0.21017E-02 ppm1      7.745 ppm2      4.078 CV     1
 ASSI { 2472}
   ((resid 93   and name HN  ))
   ((resid 94   and name HA  ))
      3.900     1.900     1.900 peak  2472 weight  0.10000E+01 volume  0.27753E-03 ppm1      8.598 ppm2      4.589 CV     1
 ASSI { 2473}
   ((resid 93   and name HN  ))
   ((resid 94   and name HB2 ))
      4.700     2.700     1.300 peak  2473 weight  0.10000E+01 volume  0.97489E-04 ppm1      8.593 ppm2      3.854 CV     1
 ASSI { 2481}
   ((resid 84   and name HN  ))
   ((resid 84   and name HG3 ))
      3.900     1.900     1.900 peak  2481 weight  0.10000E+01 volume  0.29096E-03 ppm1      8.346 ppm2      1.180 CV     1
 ASSI { 2483}
   ((resid 79   and name HN  ))
   ((resid 77   and name HA  ))
      2.800     1.000     1.000 peak  2483 weight  0.10000E+01 volume  0.20261E-02 ppm1      7.862 ppm2      4.395 CV     1
 ASSI { 2488}
   ((resid 64   and name HD22))
   ((resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  2488 weight  0.10000E+01 volume  0.23704E-02 ppm1      7.327 ppm2      2.946 CV     1
 ASSI { 2489}
   ((resid 64   and name HD22))
   ((resid 90   and name HB  ))
      4.200     2.200     1.800 peak  2489 weight  0.10000E+01 volume  0.19472E-03 ppm1      7.323 ppm2      1.961 CV     1
 ASSI { 2519}
   ((resid 89   and name HE  ))
   ((resid 89   and name HD2 ))
      2.500     0.800     0.800 peak  2519 weight  0.10000E+01 volume  0.42687E-02 ppm1      7.560 ppm2      3.138 CV     1
 OR { 2519}
   ((resid 89   and name HE  ))
   ((resid 89   and name HD3 ))
 ASSI { 2526}
   ((resid 70   and name HD1 ))
   ((resid 70   and name HB3 ))
      3.100     1.200     1.200 peak  2526 weight  0.10000E+01 volume  0.11673E-02 ppm1      7.672 ppm2      3.059 CV     1
 ASSI { 2529}
   ((resid 70   and name HD1 ))
   ((resid 115  and name HA  ))
      3.500     1.500     1.500 peak  2529 weight  0.10000E+01 volume  0.56459E-03 ppm1      7.669 ppm2      4.465 CV     1
 ASSI { 2535}
   ((resid 84   and name HN  ))
   ( resid 82   and name HD% )
      4.300     2.300     1.700 peak  2535 weight  0.10000E+01 volume  0.16928E-03 ppm1      8.336 ppm2      6.967 CV     1
 ASSI { 2548}
   ((resid 94   and name HN  ))
   ((resid 94   and name HB2 ))
      2.500     0.800     0.800 peak  2548 weight  0.10000E+01 volume  0.43071E-02 ppm1      8.133 ppm2      3.841 CV     1
 ASSI {    4}
   ( resid 90   and name HD1%)
   ((resid 98   and name HE3 ))
      2.700     0.900     0.900 peak     4 weight  0.10000E+01 volume  0.27261E-02 ppm1      0.746 ppm2      7.213 CV     1
 ASSI {    6}
   ( resid 90   and name HD1%)
   ((resid 89   and name HN  ))
      4.000     2.000     2.000 peak     6 weight  0.10000E+01 volume  0.23303E-03 ppm1      0.745 ppm2      8.742 CV     1
 ASSI {    8}
   ( resid 90   and name HD1%)
   ((resid 98   and name HZ3 ))
      3.300     1.300     1.300 peak     8 weight  0.10000E+01 volume  0.81938E-03 ppm1      0.742 ppm2      6.883 CV     1
 ASSI {    9}
   ( resid 90   and name HD1%)
   ((resid 100  and name HA  ))
      3.000     1.100     1.100 peak     9 weight  0.10000E+01 volume  0.14579E-02 ppm1      0.745 ppm2      5.450 CV     1
 ASSI {   13}
   ( resid 90   and name HD1%)
   ((resid 90   and name HB  ))
      2.700     0.900     0.900 peak    13 weight  0.10000E+01 volume  0.23380E-02 ppm1      0.744 ppm2      1.976 CV     1
 ASSI {   14}
   ( resid 90   and name HD1%)
   ((resid 90   and name HG12))
      2.200     0.600     0.600 peak    14 weight  0.10000E+01 volume  0.94355E-02 ppm1      0.745 ppm2      1.568 CV     1
 ASSI {   17}
   ( resid 90   and name HD1%)
   ( resid 88   and name HD1%)
      3.400     1.400     1.400 peak    17 weight  0.10000E+01 volume  0.70217E-03 ppm1      0.745 ppm2      0.034 CV     1
 ASSI {   21}
   ( resid 90   and name HD1%)
   ( resid 90   and name HG2%)
      2.200     0.600     0.600 peak    21 weight  0.10000E+01 volume  0.10020E-01 ppm1      0.746 ppm2      0.563 CV     1
 ASSI {   35}
   ( resid 67   and name HD1%)
   ((resid 67   and name HN  ))
      3.900     1.900     1.900 peak    35 weight  0.10000E+01 volume  0.28267E-03 ppm1      0.805 ppm2      8.952 CV     1
 ASSI {   36}
   ( resid 67   and name HD1%)
   ((resid 68   and name HN  ))
      3.500     1.500     1.500 peak    36 weight  0.10000E+01 volume  0.57893E-03 ppm1      0.805 ppm2      8.547 CV     1
 ASSI {   38}
   ( resid 67   and name HD1%)
   ((resid 87   and name HE21))
      3.600     1.600     1.600 peak    38 weight  0.10000E+01 volume  0.46497E-03 ppm1      0.803 ppm2      7.112 CV     1
 ASSI {   39}
   ( resid 67   and name HD1%)
   ((resid 87   and name HE22))
      4.400     2.400     1.600 peak    39 weight  0.10000E+01 volume  0.14210E-03 ppm1      0.803 ppm2      6.710 CV     1
 ASSI {   40}
   ( resid 67   and name HD1%)
   ((resid 87   and name HA  ))
      3.200     1.300     1.300 peak    40 weight  0.10000E+01 volume  0.87272E-03 ppm1      0.801 ppm2      5.234 CV     1
 ASSI {   41}
   ( resid 67   and name HD1%)
   ((resid 85   and name HA2 ))
      3.400     1.500     1.500 peak    41 weight  0.10000E+01 volume  0.63460E-03 ppm1      0.800 ppm2      4.367 CV     1
 ASSI {   42}
   ( resid 67   and name HD1%)
   ((resid 119  and name HA  ))
      3.200     1.300     1.300 peak    42 weight  0.10000E+01 volume  0.90984E-03 ppm1      0.801 ppm2      4.265 CV     1
 ASSI {   43}
   ( resid 67   and name HD1%)
   ((resid 86   and name HA  ))
      3.100     1.200     1.200 peak    43 weight  0.10000E+01 volume  0.12226E-02 ppm1      0.801 ppm2      4.139 CV     1
 ASSI {   44}
   ( resid 67   and name HD1%)
   ((resid 85   and name HA1 ))
      3.400     1.400     1.400 peak    44 weight  0.10000E+01 volume  0.67836E-03 ppm1      0.803 ppm2      3.482 CV     1
 ASSI {   45}
   ( resid 67   and name HD1%)
   ((resid 87   and name HG3 ))
      3.500     1.500     1.500 peak    45 weight  0.10000E+01 volume  0.56671E-03 ppm1      0.799 ppm2      2.454 CV     1
 ASSI {   47}
   ( resid 67   and name HD1%)
   ((resid 87   and name HB2 ))
      3.300     1.400     1.400 peak    47 weight  0.10000E+01 volume  0.70619E-03 ppm1      0.800 ppm2      1.994 CV     1
 ASSI {   48}
   ( resid 67   and name HD1%)
   ((resid 118  and name HB3 ))
      6.000     6.00     1.100 peak    48 weight  0.10000E+01 volume  0.14204E-02 ppm1      0.800 ppm2      1.828 CV     1
 ASSI {   49}
   ( resid 67   and name HD1%)
   ((resid 67   and name HB  ))
      3.300     1.300     1.300 peak    49 weight  0.10000E+01 volume  0.82510E-03 ppm1      0.799 ppm2      1.543 CV     1
 ASSI {   54}
   ( resid 67   and name HD1%)
   ( resid 119  and name HB% )
      3.400     1.300     1.300 peak    54 weight  0.10000E+01 volume  0.95144E-03 ppm1      0.802 ppm2      1.243 CV     1
 ASSI {   60}
   ( resid 111  and name HD1%)
   ((resid 111  and name HN  ))
      3.600     1.600     1.600 peak    60 weight  0.10000E+01 volume  0.44750E-03 ppm1      0.463 ppm2      9.566 CV     1
 ASSI {   61}
   ( resid 111  and name HD1%)
   ((resid 98   and name HN  ))
      3.600     1.600     1.600 peak    61 weight  0.10000E+01 volume  0.44704E-03 ppm1      0.463 ppm2      8.995 CV     1
 ASSI {   62}
   ( resid 111  and name HD1%)
   ((resid 109  and name HN  ))
      6.000     2.500     1.600 peak    62 weight  0.10000E+01 volume  0.12881E-03 ppm1      0.464 ppm2      8.738 CV     1
 ASSI {   63}
   ( resid 111  and name HD1%)
   ((resid 100  and name HN  ))
      4.700     2.800     1.300 peak    63 weight  0.10000E+01 volume  0.91850E-04 ppm1      0.463 ppm2      9.422 CV     1
 ASSI {   65}
   ( resid 111  and name HD1%)
   ((resid 115  and name HN  ))
      4.500     2.500     1.500 peak    65 weight  0.10000E+01 volume  0.12092E-03 ppm1      0.464 ppm2      7.652 CV     1
 ASSI {   66}
   ( resid 111  and name HD1%)
   ( resid 82   and name HE% )
      3.000     1.100     1.100 peak    66 weight  0.10000E+01 volume  0.13247E-02 ppm1      0.463 ppm2      7.477 CV     1
 ASSI {   67}
   ( resid 111  and name HD1%)
   ((resid 98   and name HE3 ))
      2.800     1.000     1.000 peak    67 weight  0.10000E+01 volume  0.20875E-02 ppm1      0.462 ppm2      7.220 CV     1
 ASSI {   68}
   ( resid 111  and name HD1%)
   ((resid 82   and name HZ  ))
      3.300     1.400     1.400 peak    68 weight  0.10000E+01 volume  0.72413E-03 ppm1      0.462 ppm2      6.796 CV     1
 ASSI {   69}
   ( resid 111  and name HD1%)
   ((resid 98   and name HD1 ))
      4.200     2.200     1.800 peak    69 weight  0.10000E+01 volume  0.19066E-03 ppm1      0.461 ppm2      6.868 CV     1
 ASSI {   70}
   ( resid 111  and name HD1%)
   ( resid 82   and name HD% )
      3.600     1.600     1.600 peak    70 weight  0.10000E+01 volume  0.43544E-03 ppm1      0.462 ppm2      6.988 CV     1
 ASSI {   72}
   ( resid 111  and name HD1%)
   ((resid 110  and name HA  ))
      5.500     3.800     0.500 peak    72 weight  0.10000E+01 volume  0.35874E-04 ppm1      0.463 ppm2      5.653 CV     1
 ASSI {   73}
   ( resid 111  and name HD1%)
   ((resid 100  and name HA  ))
      3.800     1.800     1.800 peak    73 weight  0.10000E+01 volume  0.31050E-03 ppm1      0.463 ppm2      5.448 CV     1
 ASSI {   74}
   ( resid 111  and name HD1%)
   ((resid 111  and name HA  ))
      3.300     1.300     1.300 peak    74 weight  0.10000E+01 volume  0.81041E-03 ppm1      0.463 ppm2      5.189 CV     1
 ASSI {   75}
   ( resid 111  and name HD1%)
   ((resid 90   and name HA  ))
      5.200     3.400     0.800 peak    75 weight  0.10000E+01 volume  0.50719E-04 ppm1      0.463 ppm2      4.257 CV     1
 ASSI {   76}
   ( resid 111  and name HD1%)
   ((resid 115  and name HB3 ))
      4.000     2.000     2.000 peak    76 weight  0.10000E+01 volume  0.25839E-03 ppm1      0.463 ppm2      3.626 CV     1
 ASSI {   78}
   ( resid 111  and name HD1%)
   ((resid 115  and name HB2 ))
      4.500     2.500     1.500 peak    78 weight  0.10000E+01 volume  0.11752E-03 ppm1      0.458 ppm2      3.242 CV     1
 ASSI {   79}
   ( resid 111  and name HD1%)
   ((resid 98   and name HB2 ))
      2.800     1.000     1.000 peak    79 weight  0.10000E+01 volume  0.18988E-02 ppm1      0.460 ppm2      2.958 CV     1
 ASSI {   80}
   ( resid 111  and name HD1%)
   ((resid 113  and name HA ))
      2.800     1.000     1.000 peak    80 weight  0.10000E+01 volume  0.19174E-02 ppm1      0.460 ppm2      2.810 CV     1
 ASSI {   81}
   ( resid 111  and name HD1%)
   ((resid 66   and name HB  ))
      4.300     2.400     1.700 peak    81 weight  0.10000E+01 volume  0.14736E-03 ppm1      0.461 ppm2      2.019 CV     1
 ASSI {   82}
   ( resid 111  and name HD1%)
   ((resid 111  and name HB  ))
      2.200     0.600     0.600 peak    82 weight  0.10000E+01 volume  0.78428E-02 ppm1      0.463 ppm2      1.664 CV     1
 ASSI {   83}
   ( resid 111  and name HD1%)
   ((resid 111  and name HG13))
      2.200     0.600     0.600 peak    83 weight  0.10000E+01 volume  0.84923E-02 ppm1      0.462 ppm2      1.400 CV     1
 ASSI {   85}
   ( resid 111  and name HD1%)
   ( resid 111  and name HG2%)
      2.100     0.600     0.600 peak    85 weight  0.10000E+01 volume  0.11681E-01 ppm1      0.459 ppm2      1.123 CV     1
 ASSI {   87}
   ( resid 111  and name HD1%)
   ( resid 90   and name HD1%)
      1.900     0.400     0.400 peak    87 weight  0.10000E+01 volume  0.23411E-01 ppm1      0.460 ppm2      0.736 CV     1
 ASSI {   90}
   ( resid 111  and name HD1%)
   ( resid 88   and name HD1%)
      2.300     0.700     0.700 peak    90 weight  0.10000E+01 volume  0.63135E-02 ppm1      0.462 ppm2      0.037 CV     1
 ASSI {   91}
   ( resid 90   and name HG2%)
   ((resid 91   and name HN  ))
      2.600     0.800     0.800 peak    91 weight  0.10000E+01 volume  0.34544E-02 ppm1      0.554 ppm2      9.222 CV     1
 ASSI {   93}
   ( resid 90   and name HG2%)
   ((resid 99   and name HN  ))
      3.300     1.400     1.400 peak    93 weight  0.10000E+01 volume  0.77393E-03 ppm1      0.554 ppm2      8.705 CV     1
 ASSI {   94}
   ( resid 90   and name HG2%)
   ((resid 93   and name HN  ))
      3.900     1.900     1.900 peak    94 weight  0.10000E+01 volume  0.30338E-03 ppm1      0.555 ppm2      8.588 CV     1
 ASSI {   96}
   ( resid 90   and name HG2%)
   ((resid 64   and name HD21))
      3.200     1.300     1.300 peak    96 weight  0.10000E+01 volume  0.97015E-03 ppm1      0.553 ppm2      7.319 CV     1
 ASSI {   97}
   ( resid 90   and name HG2%)
   ((resid 98   and name HE3 ))
      2.700     0.900     0.900 peak    97 weight  0.10000E+01 volume  0.28158E-02 ppm1      0.552 ppm2      7.216 CV     1
 ASSI {   98}
   ( resid 90   and name HG2%)
   ((resid 98   and name HZ3 ))
      3.600     1.600     1.600 peak    98 weight  0.10000E+01 volume  0.48229E-03 ppm1      0.552 ppm2      6.873 CV     1
 ASSI {   99}
   ( resid 90   and name HG2%)
   ((resid 64   and name HD22))
      3.600     1.600     1.600 peak    99 weight  0.10000E+01 volume  0.45570E-03 ppm1      0.552 ppm2      6.615 CV     1
 ASSI {  101}
   ( resid 90   and name HG2%)
   ((resid 93   and name HE22))
      4.100     2.100     1.900 peak   101 weight  0.10000E+01 volume  0.21540E-03 ppm1      0.551 ppm2      5.907 CV     1
 ASSI {  102}
   ( resid 90   and name HG2%)
   ((resid 100  and name HA  ))
      4.3000     1.200     1.200 peak   102 weight  0.10000E+01 volume  0.12449E-02 ppm1      0.553 ppm2      5.449 CV     1
 ASSI {  105}
   ( resid 90   and name HG2%)
   ((resid 98   and name HB3 ))
      2.500     0.800     0.800 peak   105 weight  0.10000E+01 volume  0.38333E-02 ppm1      0.553 ppm2      3.322 CV     1
 ASSI {  106}
   ( resid 90   and name HG2%)
   ((resid 98   and name HB2 ))
      2.700     0.900     0.900 peak   106 weight  0.10000E+01 volume  0.24246E-02 ppm1      0.553 ppm2      2.964 CV     1
 ASSI {  107}
   ( resid 90   and name HG2%)
   ((resid 64   and name HB3 ))
      3.700     1.700     1.700 peak   107 weight  0.10000E+01 volume  0.38689E-03 ppm1      0.553 ppm2      2.870 CV     1
 ASSI {  110}
   ( resid 90   and name HG2%)
   ((resid 90   and name HG13))
      2.300     0.600     0.600 peak   110 weight  0.10000E+01 volume  0.71006E-02 ppm1      0.553 ppm2      1.258 CV     1
 ASSI {  111}
   ( resid 90   and name HG2%)
   ((resid 93   and name HB3 ))
      2.800     1.000     1.000 peak   111 weight  0.10000E+01 volume  0.22205E-02 ppm1      0.552 ppm2      1.144 CV     1
 ASSI {  112}
   ( resid 90   and name HG2%)
   ((resid 93   and name HG3 ))
      2.800     1.000     1.000 peak   112 weight  0.10000E+01 volume  0.21849E-02 ppm1      0.550 ppm2      0.960 CV     1
 ASSI {  115}
   ( resid 90   and name HG2%)
   ((resid 93   and name HG2 ))
      2.600     0.800     0.800 peak   115 weight  0.10000E+01 volume  0.35843E-02 ppm1      0.550 ppm2      0.810 CV     1
 ASSI {  116}
   ( resid 116  and name HG2%)
   ((resid 69   and name HN  ))
      4.500     2.500     1.500 peak   116 weight  0.10000E+01 volume  0.12294E-03 ppm1      0.687 ppm2      9.477 CV     1
 ASSI {  120}
   ( resid 116  and name HG2%)
   ((resid 98   and name HE3 ))
      2.600     0.900     0.900 peak   120 weight  0.10000E+01 volume  0.30555E-02 ppm1      0.687 ppm2      7.217 CV     1
 ASSI {  122}
   ( resid 116  and name HG2%)
   ((resid 98   and name HZ3 ))
      2.500     0.800     0.800 peak   122 weight  0.10000E+01 volume  0.46064E-02 ppm1      0.686 ppm2      6.875 CV     1
 ASSI {  123}
   ( resid 116  and name HG2%)
   ((resid 116  and name HA  ))
      3.000     1.100     1.100 peak   123 weight  0.10000E+01 volume  0.13317E-02 ppm1      0.689 ppm2      5.245 CV     1
 ASSI {  124}
   ( resid 116  and name HG2%)
   ((resid 68   and name HA  ))
      4.800     2.800     1.200 peak   124 weight  0.10000E+01 volume  0.86438E-04 ppm1      0.686 ppm2      4.544 CV     1
 ASSI {  125}
   ( resid 116  and name HG2%)
   ((resid 118  and name HA  ))
      3.800     1.800     1.800 peak   125 weight  0.10000E+01 volume  0.33014E-03 ppm1      0.686 ppm2      4.265 CV     1
 ASSI {  128}
   ( resid 116  and name HG2%)
   ((resid 115  and name HB2 ))
      4.500     2.500     1.500 peak   128 weight  0.10000E+01 volume  0.12324E-03 ppm1      0.685 ppm2      3.238 CV     1
 ASSI {  130}
   ( resid 116  and name HG2%)
   ((resid 66   and name HB  ))
      3.100     1.200     1.200 peak   130 weight  0.10000E+01 volume  0.12300E-02 ppm1      0.686 ppm2      2.002 CV     1
 ASSI {  137}
   ( resid 116  and name HG2%)
   ( resid 88   and name HD1%)
      3.400     1.400     1.400 peak   137 weight  0.10000E+01 volume  0.64403E-03 ppm1      0.686 ppm2      0.039 CV     1
 ASSI {  138}
   ( resid 116  and name HG2%)
   ((resid 98   and name HB2 ))
      4.600     2.700     1.400 peak   138 weight  0.10000E+01 volume  0.99118E-04 ppm1      0.687 ppm2      2.945 CV     1
 ASSI {  142}
   ( resid 116  and name HG2%)
   ( resid 111  and name HD1%)
      2.300     0.700     0.700 peak   142 weight  0.10000E+01 volume  0.70666E-02 ppm1      0.686 ppm2      0.460 CV     1
 ASSI {  148}
   ( resid 67   and name HG2%)
   ((resid 87   and name HA  ))
      3.200     1.300     1.300 peak   148 weight  0.10000E+01 volume  0.89515E-03 ppm1      0.772 ppm2      5.232 CV     1
 ASSI {  152}
   ( resid 67   and name HG2%)
   ((resid 86   and name HA  ))
      4.500     2.600     1.500 peak   152 weight  0.10000E+01 volume  0.11505E-03 ppm1      0.773 ppm2      4.168 CV     1
 ASSI {  153}
   ( resid 67   and name HG2%)
   ((resid 69   and name HA  ))
      4.000     2.000     2.000 peak   153 weight  0.10000E+01 volume  0.24261E-03 ppm1      0.773 ppm2      4.059 CV     1
 ASSI {  159}
   ( resid 67   and name HG2%)
   ( resid 68   and name HB% )
      3.500     1.500     1.500 peak   159 weight  0.10000E+01 volume  0.53069E-03 ppm1      0.772 ppm2      1.663 CV     1
 ASSI {  160}
   ( resid 67   and name HG2%)
   ((resid 67   and name HB  ))
      2.500     0.800     0.800 peak   160 weight  0.10000E+01 volume  0.37838E-02 ppm1      0.771 ppm2      1.553 CV     1
 ASSI {  161}
   ( resid 67   and name HG2%)
   ((resid 67   and name HG13))
      3.000     1.200     1.200 peak   161 weight  0.10000E+01 volume  0.12400E-02 ppm1      0.775 ppm2      1.347 CV     1
 ASSI {  163}
   ( resid 67   and name HG2%)
   ((resid 67   and name HG12))
      2.400     0.700     0.700 peak   163 weight  0.10000E+01 volume  0.46899E-02 ppm1      0.771 ppm2      1.032 CV     1
 ASSI {  185}
   ( resid 68   and name HB% )
   ((resid 69   and name HN  ))
      2.700     0.900     0.900 peak   185 weight  0.10000E+01 volume  0.24447E-02 ppm1      1.677 ppm2      9.451 CV     1
 ASSI {  190}
   ( resid 68   and name HB% )
   ( resid 82   and name HD% )
      2.100     0.600     0.600 peak   190 weight  0.10000E+01 volume  0.10322E-01 ppm1      1.675 ppm2      6.975 CV     1
 ASSI {  192}
   ( resid 68   and name HB% )
   ((resid 84   and name HA  ))
      2.400     0.700     0.700 peak   192 weight  0.10000E+01 volume  0.54074E-02 ppm1      1.675 ppm2      3.357 CV     1
 ASSI {  194}
   ( resid 68   and name HB% )
   ((resid 86   and name HB2 ))
      3.100     1.200     1.200 peak   194 weight  0.10000E+01 volume  0.12295E-02 ppm1      1.674 ppm2      2.380 CV     1
 ASSI {  195}
   ( resid 68   and name HB% )
   ((resid 86   and name HB3 ))
      2.700     0.900     0.900 peak   195 weight  0.10000E+01 volume  0.23504E-02 ppm1      1.674 ppm2      2.110 CV     1
 ASSI {  198}
   ( resid 68   and name HB% )
   ( resid 111  and name HG2%)
      6.000     1.000     1.000 peak   198 weight  0.10000E+01 volume  0.20009E-02 ppm1      1.675 ppm2      1.113 CV     1
 ASSI {  200}
   ( resid 68   and name HB% )
   ( resid 88   and name HD2%)
      3.200     1.300     1.300 peak   200 weight  0.10000E+01 volume  0.92406E-03 ppm1      1.673 ppm2      0.641 CV     1
 ASSI {  202}
   ( resid 68   and name HB% )
   ( resid 88   and name HD1%)
      2.600     0.900     0.900 peak   202 weight  0.10000E+01 volume  0.29968E-02 ppm1      1.673 ppm2      0.034 CV     1
 ASSI {  204}
   ( resid 68   and name HB% )
   ( resid 115  and name HE% )
      3.200     1.300     1.300 peak   204 weight  0.10000E+01 volume  0.92731E-03 ppm1      1.675 ppm2      7.070 CV     1
 ASSI {  210}
   ( resid 119  and name HB% )
   ((resid 65   and name HG  ))
      4.200     1.200     0.800 peak   210 weight  0.10000E+01 volume  0.41688E-02 ppm1      1.257 ppm2      1.531 CV     1
 ASSI {  212}
   ( resid 119  and name HB% )
   ((resid 67   and name HG12))
      2.600     1.200    1.200 peak   212 weight  0.10000E+01 volume  0.32379E-02 ppm1      1.255 ppm2      1.049 CV     1
 ASSI {  213}
   ( resid 119  and name HB% )
   ( resid 65   and name HD2%)
      3.800     0.800     0.800 peak   213 weight  0.10000E+01 volume  0.32054E-02 ppm1      1.255 ppm2      0.776 CV     1
 ASSI {  214}
   ( resid 119  and name HB% )
   ((resid 87   and name HE21))
      3.700     2.900     1.100 peak   214 weight  0.10000E+01 volume  0.76077E-04 ppm1      1.259 ppm2      7.112 CV     1
 ASSI {  215}
   ( resid 119  and name HB% )
   ((resid 87   and name HE22))
      5.100     3.200     0.900 peak   215 weight  0.10000E+01 volume  0.56904E-04 ppm1      1.258 ppm2      6.713 CV     1
 ASSI {  216}
   ( resid 119  and name HB% )
   ((resid 65   and name HA  ))
      4.500     2.600     1.500 peak   216 weight  0.10000E+01 volume  0.11303E-03 ppm1      1.257 ppm2      5.204 CV     1
 ASSI {  217}
   ( resid 119  and name HB% )
   ((resid 66   and name HA  ))
      3.200     1.700     1.700 peak   217 weight  0.10000E+01 volume  0.37219E-03 ppm1      1.255 ppm2      4.946 CV     1
 ASSI {  218}
   ( resid 119  and name HB% )
   ((resid 120  and name HB2 ))
      6.100     3.300     0.900 peak   218 weight  0.10000E+01 volume  0.54121E-04 ppm1      1.257 ppm2      2.693 CV     1
 OR {  218}
   ( resid 119  and name HB% )
   ((resid 120  and name HB3 ))
 ASSI {  220}
   ( resid 119  and name HB% )
   ((resid 120  and name HA  ))
      4.800     2.100     1.900 peak   220 weight  0.10000E+01 volume  0.19962E-03 ppm1      1.257 ppm2      4.415 CV     1
 ASSI {  221}
   ( resid 119  and name HB% )
   ((resid 87   and name HG3 ))
      6.000     4.900     1.000 peak   221 weight  0.10000E+01 volume  0.16700E-04 ppm1      1.257 ppm2      2.478 CV     1
 ASSI {  222}
   ( resid 119  and name HB% )
   ((resid 66   and name HB  ))
      5.500     1.500     1.500 peak   222 weight  0.10000E+01 volume  0.54646E-03 ppm1      1.258 ppm2      2.007 CV     1
 ASSI {  231}
   ( resid 66   and name HG2%)
   ((resid 117  and name HN  ))
      4.800     1.400     1.400 peak   231 weight  0.10000E+01 volume  0.74794E-03 ppm1      0.594 ppm2      8.556 CV     1
 ASSI {  232}
   ( resid 66   and name HG2%)
   ((resid 98   and name HE3 ))
      3.600     1.600     1.600 peak   232 weight  0.10000E+01 volume  0.44812E-03 ppm1      0.591 ppm2      7.220 CV     1
 ASSI {  235}
   ( resid 66   and name HG2%)
   ((resid 118  and name HA  ))
      3.500     1.500     1.500 peak   235 weight  0.10000E+01 volume  0.53238E-03 ppm1      0.595 ppm2      4.257 CV     1
 ASSI {  236}
   ( resid 66   and name HG2%)
   ((resid 66   and name HB  ))
      2.400     0.700     0.700 peak   236 weight  0.10000E+01 volume  0.50517E-02 ppm1      0.593 ppm2      2.004 CV     1
 ASSI {  238}
   ( resid 66   and name HG2%)
   ((resid 90   and name HG12))
      2.700     0.900     0.900 peak   238 weight  0.10000E+01 volume  0.28204E-02 ppm1      0.595 ppm2      1.565 CV     1
 ASSI {  240}
   ( resid 66   and name HG2%)
   ((resid 88   and name HB2 ))
      2.300     0.700     0.700 peak   240 weight  0.10000E+01 volume  0.70604E-02 ppm1      0.593 ppm2      1.141 CV     1
 ASSI {  242}
   ( resid 66   and name HG2%)
   ( resid 66   and name HG1%)
      2.000     0.500     0.500 peak   242 weight  0.10000E+01 volume  0.14680E-01 ppm1      0.593 ppm2      0.770 CV     1
 ASSI {  244}
   ( resid 66   and name HG2%)
   ( resid 116  and name HG1%)
      2.300     0.700     0.700 peak   244 weight  0.10000E+01 volume  0.64945E-02 ppm1      0.593 ppm2      0.381 CV     1
 ASSI {  245}
   ( resid 66   and name HG2%)
   ( resid 88   and name HD1%)
      2.500     0.800     0.800 peak   245 weight  0.10000E+01 volume  0.40606E-02 ppm1      0.593 ppm2      0.039 CV     1
 ASSI {  246}
   ( resid 66   and name HG2%)
   ((resid 98   and name HZ3 ))
      4.600     2.600     1.400 peak   246 weight  0.10000E+01 volume  0.10701E-03 ppm1      0.591 ppm2      6.878 CV     1
 ASSI {  247}
   ( resid 66   and name HG2%)
   ((resid 119  and name HN  ))
      4.900     3.000     1.100 peak   247 weight  0.10000E+01 volume  0.75613E-04 ppm1      0.596 ppm2      8.346 CV     1
 ASSI {  288}
   ( resid 66   and name HG1%)
   ((resid 67   and name HN  ))
      2.800     1.000     1.000 peak   288 weight  0.10000E+01 volume  0.18663E-02 ppm1      0.788 ppm2      8.960 CV     1
 ASSI {  290}
   ( resid 66   and name HG1%)
   ((resid 119  and name HN  ))
      3.200     1.300     1.300 peak   290 weight  0.10000E+01 volume  0.89793E-03 ppm1      0.789 ppm2      8.360 CV     1
 ASSI {  291}
   ( resid 66   and name HG1%)
   ((resid 65   and name HN  ))
      4.500     2.500     1.500 peak   291 weight  0.10000E+01 volume  0.12773E-03 ppm1      0.789 ppm2      7.887 CV     1
 ASSI {  292}
   ( resid 66   and name HG1%)
   ((resid 98   and name HE3 ))
      3.300     1.400     1.400 peak   292 weight  0.10000E+01 volume  0.71578E-03 ppm1      0.789 ppm2      7.213 CV     1
 ASSI {  293}
   ( resid 66   and name HG1%)
   ((resid 98   and name HZ3 ))
      2.900     1.100     1.100 peak   293 weight  0.10000E+01 volume  0.16050E-02 ppm1      0.787 ppm2      6.875 CV     1
 ASSI {  294}
   ( resid 66   and name HG1%)
   ((resid 65   and name HA  ))
      3.300     1.400     1.400 peak   294 weight  0.10000E+01 volume  0.71330E-03 ppm1      0.789 ppm2      5.194 CV     1
 ASSI {  297}
   ( resid 66   and name HG1%)
   ((resid 66   and name HB  ))
      2.300     0.700     0.700 peak   297 weight  0.10000E+01 volume  0.66521E-02 ppm1      0.785 ppm2      2.004 CV     1
 ASSI {  298}
   ( resid 66   and name HG1%)
   ((resid 116  and name HB  ))
      2.600     0.800     0.800 peak   298 weight  0.10000E+01 volume  0.34359E-02 ppm1      0.785 ppm2      1.760 CV     1
 ASSI {  299}
   ( resid 66   and name HG1%)
   ((resid 90   and name HG12))
      2.500     0.800     0.800 peak   299 weight  0.10000E+01 volume  0.45368E-02 ppm1      0.786 ppm2      1.567 CV     1
 ASSI {  300}
   ( resid 66   and name HG1%)
   ((resid 90   and name HG13))
      2.600     0.800     0.800 peak   300 weight  0.10000E+01 volume  0.36091E-02 ppm1      0.789 ppm2      1.254 CV     1
 ASSI {  302}
   ( resid 66   and name HG1%)
   ( resid 116  and name HG1%)
      3.000     1.100     1.100 peak   302 weight  0.10000E+01 volume  0.13733E-02 ppm1      0.783 ppm2      0.383 CV     1
 ASSI {  304}
   ( resid 66   and name HG1%)
   ( resid 88   and name HD1%)
      5.100     3.300     0.900 peak   304 weight  0.10000E+01 volume  0.54429E-04 ppm1      0.785 ppm2      0.053 CV     1
 ASSI {  305}
   ( resid 66   and name HG1%)
   ((resid 118  and name HE2 ))
      3.800     1.800     1.800 peak   305 weight  0.10000E+01 volume  0.33045E-03 ppm1      0.789 ppm2      3.026 CV     1
 OR {  305}
   ( resid 66   and name HG1%)
   ((resid 118  and name HE3 ))
 ASSI {  314}
   ( resid 105  and name HG2%)
   ((resid 104  and name HN  ))
      3.600     1.600     1.600 peak   314 weight  0.10000E+01 volume  0.48198E-03 ppm1      1.265 ppm2      8.477 CV     1
 ASSI {  316}
   ( resid 105  and name HG2%)
   ((resid 107  and name HN  ))
      3.800     1.800     1.800 peak   316 weight  0.10000E+01 volume  0.34761E-03 ppm1      1.262 ppm2      7.921 CV     1
 ASSI {  318}
   ( resid 105  and name HG2%)
   ((resid 105  and name HG1 ))
      2.600     0.800     0.800 peak   318 weight  0.10000E+01 volume  0.33261E-02 ppm1      1.266 ppm2      5.964 CV     1
 ASSI {  319}
   ( resid 105  and name HG2%)
   ((resid 105  and name HB  ))
      2.200     0.600     0.600 peak   319 weight  0.10000E+01 volume  0.83098E-02 ppm1      1.264 ppm2      4.490 CV     1
 ASSI {  320}
   ( resid 105  and name HG2%)
   ((resid 106  and name HA1 ))
      3.500     1.500     1.500 peak   320 weight  0.10000E+01 volume  0.53038E-03 ppm1      1.266 ppm2      4.271 CV     1
 ASSI {  321}
   ( resid 105  and name HG2%)
   ((resid 102  and name HB2 ))
      3.800     1.800     1.800 peak   321 weight  0.10000E+01 volume  0.31962E-03 ppm1      1.267 ppm2      4.195 CV     1
 ASSI {  322}
   ( resid 105  and name HG2%)
   ((resid 104  and name HB  ))
      2.700     0.900     0.900 peak   322 weight  0.10000E+01 volume  0.26102E-02 ppm1      1.265 ppm2      4.086 CV     1
 ASSI {  323}
   ( resid 105  and name HG2%)
   ((resid 107  and name HG2 ))
      3.700     1.700     1.700 peak   323 weight  0.10000E+01 volume  0.40869E-03 ppm1      1.264 ppm2      2.420 CV     1
 ASSI {  329}
   ( resid 111  and name HG2%)
   ((resid 111  and name HN  ))
      2.900     1.000     1.000 peak   329 weight  0.10000E+01 volume  0.17179E-02 ppm1      1.125 ppm2      9.566 CV     1
 ASSI {  330}
   ( resid 111  and name HG2%)
   ((resid 100  and name HN  ))
      3.500     1.500     1.500 peak   330 weight  0.10000E+01 volume  0.53780E-03 ppm1      1.126 ppm2      9.415 CV     1
 ASSI {  332}
   ( resid 111  and name HG2%)
   ((resid 109  and name HN  ))
      3.700     1.700     1.700 peak   332 weight  0.10000E+01 volume  0.36585E-03 ppm1      1.125 ppm2      8.719 CV     1
 ASSI {  334}
   ( resid 111  and name HG2%)
   ( resid 82   and name HE% )
      2.300     0.600     0.600 peak   334 weight  0.10000E+01 volume  0.75180E-02 ppm1      1.125 ppm2      7.485 CV     1
 ASSI {  336}
   ( resid 111  and name HG2%)
   ( resid 115  and name HE% )
      5.400     2.400     1.00 peak   336 weight  0.10000E+01 volume  0.70233E-03 ppm1      1.123 ppm2      7.055 CV     1
 ASSI {  337}
   ( resid 111  and name HG2%)
   ( resid 82   and name HD% )
      2.700     0.900     0.900 peak   337 weight  0.10000E+01 volume  0.26720E-02 ppm1      1.123 ppm2      6.969 CV     1
 ASSI {  338}
   ( resid 111  and name HG2%)
   ((resid 82   and name HZ  ))
      3.600     1.700     1.700 peak   338 weight  0.10000E+01 volume  0.43080E-03 ppm1      1.123 ppm2      6.797 CV     1
 ASSI {  339}
   ( resid 111  and name HG2%)
   ((resid 110  and name HA  ))
      3.700     1.700     1.700 peak   339 weight  0.10000E+01 volume  0.38935E-03 ppm1      1.123 ppm2      5.649 CV     1
 ASSI {  341}
   ( resid 111  and name HG2%)
   ((resid 112  and name HD2 ))
      3.000     1.100     1.100 peak   341 weight  0.10000E+01 volume  0.14870E-02 ppm1      1.123 ppm2      2.794 CV     1
 ASSI {  342}
   ( resid 111  and name HG2%)
   ((resid 80   and name HB3 ))
      2.200     0.600     0.600 peak   342 weight  0.10000E+01 volume  0.10046E-01 ppm1      1.126 ppm2      1.758 CV     1
 ASSI {  343}
   ( resid 111  and name HG2%)
   ((resid 111  and name HB  ))
      2.100     0.600     0.600 peak   343 weight  0.10000E+01 volume  0.10603E-01 ppm1      1.124 ppm2      1.666 CV     1
 ASSI {  345}
   ( resid 111  and name HG2%)
   ( resid 88   and name HD2%)
      2.500     0.800     0.800 peak   345 weight  0.10000E+01 volume  0.41673E-02 ppm1      1.121 ppm2      0.642 CV     1
 ASSI {  347}
   ( resid 111  and name HG2%)
   ( resid 88   and name HD1%)
      2.800     1.000     1.000 peak   347 weight  0.10000E+01 volume  0.19545E-02 ppm1      1.124 ppm2      0.036 CV     1
 ASSI {  348}
   ( resid 111  and name HG2%)
   ((resid 98   and name HN  ))
      4.300     2.300     1.700 peak   348 weight  0.10000E+01 volume  0.15371E-03 ppm1      1.127 ppm2      8.996 CV     1
 ASSI {  349}
   ( resid 111  and name HG2%)
   ( resid 90   and name HD1%)
      4.800     1.00     1.00 peak   349 weight  0.10000E+01 volume  0.10471E-01 ppm1      1.123 ppm2      0.750 CV     1
 ASSI {  355}
   ( resid 116  and name HG1%)
   ((resid 69   and name HN  ))
      3.000     1.100     1.100 peak   355 weight  0.10000E+01 volume  0.14790E-02 ppm1      0.384 ppm2      9.457 CV     1
 ASSI {  356}
   ( resid 116  and name HG1%)
   ((resid 67   and name HN  ))
      4.500     2.600     1.500 peak   356 weight  0.10000E+01 volume  0.11272E-03 ppm1      0.387 ppm2      8.959 CV     1
 ASSI {  357}
   ( resid 116  and name HG1%)
   ((resid 88   and name HN  ))
      4.300     2.300     1.700 peak   357 weight  0.10000E+01 volume  0.15664E-03 ppm1      0.387 ppm2      8.762 CV     1
 ASSI {  358}
   ( resid 116  and name HG1%)
   ((resid 117  and name HN  ))
      4.000     0.900     0.900 peak   358 weight  0.10000E+01 volume  0.22931E-02 ppm1      0.385 ppm2      8.555 CV     1
 ASSI {  359}
   ( resid 116  and name HG1%)
   ((resid 115  and name HN  ))
      3.500     1.500     1.500 peak   359 weight  0.10000E+01 volume  0.55234E-03 ppm1      0.385 ppm2      7.643 CV     1
 ASSI {  361}
   ( resid 116  and name HG1%)
   ((resid 98   and name HE3 ))
      4.600     2.600     1.400 peak   361 weight  0.10000E+01 volume  0.10778E-03 ppm1      0.385 ppm2      7.227 CV     1
 ASSI {  362}
   ( resid 116  and name HG1%)
   ((resid 116  and name HN  ))
      2.700     0.900     0.900 peak   362 weight  0.10000E+01 volume  0.25421E-02 ppm1      0.383 ppm2      7.012 CV     1
 ASSI {  364}
   ( resid 116  and name HG1%)
   ((resid 82   and name HZ  ))
      3.200     1.300     1.300 peak   364 weight  0.10000E+01 volume  0.95344E-03 ppm1      0.383 ppm2      6.797 CV     1
 ASSI {  365}
   ( resid 116  and name HG1%)
   ((resid 116  and name HA  ))
      2.300     0.700     0.700 peak   365 weight  0.10000E+01 volume  0.59347E-02 ppm1      0.382 ppm2      5.248 CV     1
 ASSI {  366}
   ( resid 116  and name HG1%)
   ((resid 68   and name HA  ))
      2.700     0.900     0.900 peak   366 weight  0.10000E+01 volume  0.24803E-02 ppm1      0.383 ppm2      4.538 CV     1
 ASSI {  368}
   ( resid 116  and name HG1%)
   ((resid 115  and name HB2 ))
      3.100     1.200     1.200 peak   368 weight  0.10000E+01 volume  0.10558E-02 ppm1      0.383 ppm2      3.238 CV     1
 ASSI {  369}
   ( resid 116  and name HG1%)
   ((resid 112  and name HD2 ))
      4.000     2.000     2.000 peak   369 weight  0.10000E+01 volume  0.23210E-03 ppm1      0.383 ppm2      2.808 CV     1
 ASSI {  370}
   ( resid 116  and name HG1%)
   ((resid 66   and name HB  ))
      3.300     1.300     1.300 peak   370 weight  0.10000E+01 volume  0.81041E-03 ppm1      0.381 ppm2      2.004 CV     1
 ASSI {  372}
   ( resid 116  and name HG1%)
   ( resid 68   and name HB% )
      2.500     0.800     0.800 peak   372 weight  0.10000E+01 volume  0.40807E-02 ppm1      0.381 ppm2      1.674 CV     1
 ASSI {  373}
   ( resid 116  and name HG1%)
   ((resid 69   and name HG  ))
      3.500     1.500     1.500 peak   373 weight  0.10000E+01 volume  0.53223E-03 ppm1      0.381 ppm2      1.359 CV     1
 ASSI {  374}
   ( resid 116  and name HG1%)
   ( resid 111  and name HG2%)
      4.800     1.000     1.000 peak   374 weight  0.10000E+01 volume  0.21973E-02 ppm1      0.381 ppm2      1.115 CV     1
 ASSI {  376}
   ( resid 116  and name HG1%)
   ( resid 116  and name HG2%)
      1.900     0.400     0.400 peak   376 weight  0.10000E+01 volume  0.24709E-01 ppm1      0.383 ppm2      0.670 CV     1
 ASSI {  378}
   ( resid 116  and name HG1%)
   ( resid 88   and name HD1%)
      2.300     0.600     0.600 peak   378 weight  0.10000E+01 volume  0.76279E-02 ppm1      0.381 ppm2      0.039 CV     1
 ASSI {  381}
   ( resid 69   and name HD2%)
   ((resid 117  and name HN  ))
      4.700     1.600     1.600 peak   381 weight  0.10000E+01 volume  0.49280E-03 ppm1      0.684 ppm2      8.561 CV     1
 ASSI {  383}
   ( resid 91   and name HD2%)
   ((resid 91   and name HN  ))
      3.400     1.500     1.500 peak   383 weight  0.10000E+01 volume  0.59316E-03 ppm1      0.672 ppm2      9.221 CV     1
 ASSI {  385}
   ( resid 91   and name HD2%)
   ((resid 92   and name HN  ))
      3.500     1.600     1.600 peak   385 weight  0.10000E+01 volume  0.50131E-03 ppm1      0.673 ppm2      7.673 CV     1
 ASSI {  386}
   ( resid 91   and name HD2%)
   ((resid 101  and name HE22))
      3.800     1.800     1.800 peak   386 weight  0.10000E+01 volume  0.34931E-03 ppm1      0.670 ppm2      6.739 CV     1
 ASSI {  388}
   ( resid 69   and name HD2%)
   ((resid 116  and name HA  ))
      3.600     1.700     1.700 peak   388 weight  0.10000E+01 volume  0.42554E-03 ppm1      0.682 ppm2      5.233 CV     1
 ASSI {  390}
   ( resid 91   and name HD2%)
   ((resid 91   and name HA  ))
      2.500     0.800     0.800 peak   390 weight  0.10000E+01 volume  0.45770E-02 ppm1      0.672 ppm2      4.343 CV     1
 ASSI {  391}
   ( resid 91   and name HD2%)
   ((resid 89   and name HD3 ))
      2.600     0.800     0.800 peak   391 weight  0.10000E+01 volume  0.32225E-02 ppm1      0.672 ppm2      3.138 CV     1
 ASSI {  392}
   ( resid 69   and name HD2%)
   ((resid 69   and name HG  ))
      2.500     0.800     0.800 peak   392 weight  0.10000E+01 volume  0.38240E-02 ppm1      0.680 ppm2      1.344 CV     1
 ASSI {  395}
   ( resid 91   and name HD2%)
   ((resid 91   and name HG  ))
      2.300     0.700     0.700 peak   395 weight  0.10000E+01 volume  0.64898E-02 ppm1      0.673 ppm2      1.474 CV     1
 ASSI {  396}
   ( resid 69   and name HD2%)
   ((resid 69   and name HB3 ))
      2.300     0.600     0.600 peak   396 weight  0.10000E+01 volume  0.71268E-02 ppm1      0.682 ppm2      1.100 CV     1
 ASSI {  398}
   ( resid 104  and name HG2%)
   ((resid 105  and name HN  ))
      3.500     1.500     1.500 peak   398 weight  0.10000E+01 volume  0.56207E-03 ppm1      1.268 ppm2      8.117 CV     1
 ASSI {  399}
   ( resid 104  and name HG2%)
   ((resid 104  and name HA  ))
      2.500     0.800     0.800 peak   399 weight  0.10000E+01 volume  0.45570E-02 ppm1      1.269 ppm2      4.275 CV     1
 ASSI {  401}
   ( resid 104  and name HG2%)
   ((resid 86   and name HG2 ))
      3.900     1.900     1.900 peak   401 weight  0.10000E+01 volume  0.30153E-03 ppm1      1.269 ppm2      2.478 CV     1
 ASSI {  402}
   ( resid 104  and name HG2%)
   ((resid 86   and name HG3 ))
      4.000     2.000     2.000 peak   402 weight  0.10000E+01 volume  0.22731E-03 ppm1      1.268 ppm2      2.377 CV     1
 ASSI {  406}
   ( resid 104  and name HG2%)
   ((resid 103  and name HN  ))
      4.900     3.000     1.100 peak   406 weight  0.10000E+01 volume  0.75769E-04 ppm1      1.273 ppm2      8.857 CV     1
 ASSI {  408}
   ( resid 104  and name HG2%)
   ((resid 105  and name HG1 ))
      5.000     3.200     1.000 peak   408 weight  0.10000E+01 volume  0.61851E-04 ppm1      1.273 ppm2      5.964 CV     1
 ASSI {  409}
   ( resid 104  and name HG2%)
   ((resid 105  and name HB  ))
      3.600     1.600     1.600 peak   409 weight  0.10000E+01 volume  0.47317E-03 ppm1      1.270 ppm2      4.506 CV     1
 ASSI {  411}
   ( resid 117  and name HB% )
   ( resid 69   and name HD1%)
      2.600     0.500     2.500 peak   411 weight  0.10000E+01 volume  0.17024E-01 ppm1      1.363 ppm2      0.656 CV     1
 ASSI {  413}
   ( resid 117  and name HB% )
   ((resid 118  and name HA  ))
      4.900     2.100     1.900 peak   413 weight  0.10000E+01 volume  0.20272E-03 ppm1      1.364 ppm2      4.259 CV     1
 ASSI {  414}
   ( resid 117  and name HB% )
   ((resid 116  and name HA  ))
      4.500     1.700     1.700 peak   414 weight  0.10000E+01 volume  0.37746E-03 ppm1      1.364 ppm2      5.239 CV     1
 ASSI {  415}
   ( resid 117  and name HB% )
   ((resid 118  and name HN  ))
      2.800     0.600     0.600 peak   415 weight  0.10000E+01 volume  0.97184E-02 ppm1      1.364 ppm2      8.592 CV     1
 ASSI {  416}
   ( resid 117  and name HB% )
   ((resid 67   and name HN  ))
      4.100     1.400     1.400 peak   416 weight  0.10000E+01 volume  0.75830E-03 ppm1      1.365 ppm2      8.966 CV     1
 ASSI {  417}
   ( resid 117  and name HB% )
   ((resid 119  and name HN  ))
      5.700     2.800     1.300 peak   417 weight  0.10000E+01 volume  0.88757E-04 ppm1      1.363 ppm2      8.360 CV     1
 ASSI {  418}
   ( resid 117  and name HB% )
   ((resid 69   and name HN  ))
      5.900     2.600     1.500 peak   418 weight  0.10000E+01 volume  0.11380E-03 ppm1      1.363 ppm2      9.465 CV     1
 ASSI {  421}
   ( resid 117  and name HB% )
   ( resid 116  and name HG1%)
      6.000     2.500     1.500 peak   421 weight  0.10000E+01 volume  0.11767E-03 ppm1      1.363 ppm2      0.372 CV     1
 ASSI {  423}
   ( resid 117  and name HB% )
   ((resid 116  and name HB  ))
      5.200     1.200     1.200 peak   423 weight  0.10000E+01 volume  0.11719E-02 ppm1      1.362 ppm2      1.773 CV     1
 ASSI {  424}
   ( resid 117  and name HB% )
   ((resid 66   and name HB  ))
      5.000     2.100     1.900 peak   424 weight  0.10000E+01 volume  0.21694E-03 ppm1      1.366 ppm2      2.004 CV     1
 ASSI {  445}
   ( resid 65   and name HD1%)
   ((resid 89   and name HD2 ))
      3.700     1.700     1.700 peak   445 weight  0.10000E+01 volume  0.40528E-03 ppm1      0.774 ppm2      3.138 CV     1
 OR {  445}
   ( resid 65   and name HD1%)
   ((resid 89   and name HD3 ))
 ASSI {  447}
   ( resid 65   and name HD1%)
   ((resid 65   and name HA  ))
      2.300     0.600     0.600 peak   447 weight  0.10000E+01 volume  0.73619E-02 ppm1      0.773 ppm2      5.191 CV     1
 ASSI {  449}
   ( resid 65   and name HD1%)
   ((resid 89   and name HE  ))
      4.000     2.000     2.000 peak   449 weight  0.10000E+01 volume  0.25993E-03 ppm1      0.775 ppm2      7.597 CV     1
 ASSI {  451}
   ( resid 65   and name HD1%)
   ((resid 64   and name HN  ))
      4.500     2.500     1.500 peak   451 weight  0.10000E+01 volume  0.12633E-03 ppm1      0.772 ppm2      8.513 CV     1
 ASSI {  453}
   ( resid 65   and name HD1%)
   ((resid 90   and name HN  ))
      3.100     1.200     1.200 peak   453 weight  0.10000E+01 volume  0.10924E-02 ppm1      0.775 ppm2      8.947 CV     1
 ASSI {  454}
   ( resid 65   and name HD1%)
   ((resid 66   and name HN  ))
      3.000     1.100     1.100 peak   454 weight  0.10000E+01 volume  0.14322E-02 ppm1      0.774 ppm2      9.035 CV     1
 ASSI {  455}
   ( resid 65   and name HD1%)
   ((resid 65   and name HG  ))
      2.100     0.500     0.500 peak   455 weight  0.10000E+01 volume  0.12830E-01 ppm1      0.775 ppm2      1.521 CV     1
 ASSI {  456}
   ( resid 65   and name HD1%)
   ((resid 65   and name HB2 ))
      2.300     0.700     0.700 peak   456 weight  0.10000E+01 volume  0.68470E-02 ppm1      0.775 ppm2      1.663 CV     1
 ASSI {  462}
   ( resid 103  and name HD1%)
   ((resid 103  and name HB3 ))
      2.400     0.600     0.600 peak   462 weight  0.10000E+01 volume  0.93891E-02 ppm1      0.810 ppm2      1.717 CV     1
 ASSI {  467}
   ( resid 88   and name HD1%)
   ((resid 90   and name HN  ))
      3.700     1.700     1.700 peak   467 weight  0.10000E+01 volume  0.37761E-03 ppm1      0.043 ppm2      8.977 CV     1
 ASSI {  469}
   ( resid 88   and name HD1%)
   ((resid 68   and name HN  ))
      3.500     1.600     1.600 peak   469 weight  0.10000E+01 volume  0.51275E-03 ppm1      0.043 ppm2      8.544 CV     1
 ASSI {  470}
   ( resid 88   and name HD1%)
   ( resid 82   and name HE% )
      3.400     1.400     1.400 peak   470 weight  0.10000E+01 volume  0.69506E-03 ppm1      0.044 ppm2      7.481 CV     1
 ASSI {  471}
   ( resid 88   and name HD1%)
   ( resid 82   and name HD% )
      3.500     1.500     1.500 peak   471 weight  0.10000E+01 volume  0.58528E-03 ppm1      0.043 ppm2      6.981 CV     1
 ASSI {  472}
   ( resid 88   and name HD1%)
   ((resid 87   and name HA  ))
      3.600     1.600     1.600 peak   472 weight  0.10000E+01 volume  0.45060E-03 ppm1      0.043 ppm2      5.233 CV     1
 ASSI {  476}
   ( resid 88   and name HD1%)
   ((resid 86   and name HG3 ))
      3.800     1.800     1.800 peak   476 weight  0.10000E+01 volume  0.34854E-03 ppm1      0.043 ppm2      2.363 CV     1
 ASSI {  478}
   ( resid 88   and name HD1%)
   ((resid 111  and name HB  ))
      2.700     0.900     0.900 peak   478 weight  0.10000E+01 volume  0.23643E-02 ppm1      0.043 ppm2      1.674 CV     1
 ASSI {  479}
   ( resid 88   and name HD1%)
   ((resid 88   and name HB3 ))
      2.300     0.700     0.700 peak   479 weight  0.10000E+01 volume  0.70217E-02 ppm1      0.042 ppm2      1.109 CV     1
 ASSI {  486}
   ( resid 88   and name HD1%)
   ((resid 80   and name HG  ))
      4.100     2.100     1.900 peak   486 weight  0.10000E+01 volume  0.22298E-03 ppm1      0.043 ppm2      1.749 CV     1
 ASSI {  487}
   ( resid 88   and name HD2%)
   ( resid 88   and name HD1%)
      2.200     0.600     0.600 peak   487 weight  0.10000E+01 volume  0.89190E-02 ppm1      0.636 ppm2      0.039 CV     1
 ASSI {  490}
   ( resid 88   and name HD2%)
   ((resid 88   and name HB3 ))
      2.200     0.600     0.600 peak   490 weight  0.10000E+01 volume  0.93489E-02 ppm1      0.635 ppm2      1.108 CV     1
 ASSI {  492}
   ( resid 88   and name HD2%)
   ((resid 111  and name HB  ))
      3.300     1.400     1.400 peak   492 weight  0.10000E+01 volume  0.73000E-03 ppm1      0.634 ppm2      1.675 CV     1
 ASSI {  493}
   ( resid 88   and name HD2%)
   ((resid 80   and name HG  ))
      3.200     1.300     1.300 peak   493 weight  0.10000E+01 volume  0.93597E-03 ppm1      0.634 ppm2      1.743 CV     1
 ASSI {  494}
   ( resid 88   and name HD2%)
   ((resid 86   and name HB3 ))
      3.300     1.400     1.400 peak   494 weight  0.10000E+01 volume  0.72846E-03 ppm1      0.634 ppm2      2.106 CV     1
 ASSI {  495}
   ( resid 88   and name HD2%)
   ((resid 86   and name HG3 ))
      2.800     1.000     1.000 peak   495 weight  0.10000E+01 volume  0.19654E-02 ppm1      0.634 ppm2      2.363 CV     1
 ASSI {  500}
   ( resid 88   and name HD2%)
   ((resid 102  and name HA  ))
      3.900     1.900     1.900 peak   500 weight  0.10000E+01 volume  0.27215E-03 ppm1      0.638 ppm2      4.673 CV     1
 ASSI {  502}
   ( resid 88   and name HD2%)
   ((resid 87   and name HA  ))
      3.900     1.900     1.900 peak   502 weight  0.10000E+01 volume  0.28050E-03 ppm1      0.638 ppm2      5.233 CV     1
 ASSI {  503}
   ( resid 88   and name HD2%)
   ( resid 82   and name HD% )
      3.000     1.100     1.100 peak   503 weight  0.10000E+01 volume  0.14859E-02 ppm1      0.636 ppm2      6.969 CV     1
 ASSI {  504}
   ( resid 88   and name HD2%)
   ( resid 82   and name HE% )
      4.000     2.000     2.000 peak   504 weight  0.10000E+01 volume  0.24122E-03 ppm1      0.636 ppm2      7.471 CV     1
 ASSI {  505}
   ( resid 88   and name HD2%)
   ((resid 102  and name HN  ))
      2.900     1.100     1.100 peak   505 weight  0.10000E+01 volume  0.15204E-02 ppm1      0.636 ppm2      8.760 CV     1
 ASSI {  506}
   ( resid 88   and name HD2%)
   ((resid 103  and name HN  ))
      2.900     1.000     1.000 peak   506 weight  0.10000E+01 volume  0.17937E-02 ppm1      0.635 ppm2      8.869 CV     1
 ASSI {  507}
   ( resid 88   and name HD2%)
   ((resid 83   and name HN  ))
      3.100     1.200     1.200 peak   507 weight  0.10000E+01 volume  0.10978E-02 ppm1      0.635 ppm2      8.972 CV     1
 ASSI {  510}
   ( resid 69   and name HD1%)
   ((resid 69   and name HN  ))
      4.600     1.300     1.300 peak   510 weight  0.10000E+01 volume  0.91896E-03 ppm1      0.656 ppm2      9.465 CV     1
 ASSI {  511}
   ( resid 69   and name HD1%)
   ((resid 117  and name HN  ))
      4.800     1.400     1.400 peak   511 weight  0.10000E+01 volume  0.64898E-03 ppm1      0.656 ppm2      8.576 CV     1
 ASSI {  512}
   ( resid 69   and name HD1%)
   ((resid 116  and name HN  ))
      4.000     2.000     2.000 peak   512 weight  0.10000E+01 volume  0.23874E-03 ppm1      0.658 ppm2      7.012 CV     1
 ASSI {  513}
   ( resid 69   and name HD1%)
   ((resid 116  and name HA  ))
      4.000     2.000     2.000 peak   513 weight  0.10000E+01 volume  0.24122E-03 ppm1      0.656 ppm2      5.247 CV     1
 ASSI {  515}
   ( resid 69   and name HD1%)
   ((resid 69   and name HA  ))
      4.700     1.200     1.200 peak   515 weight  0.10000E+01 volume  0.12500E-02 ppm1      0.658 ppm2      4.056 CV     1
 ASSI {  516}
   ( resid 69   and name HD1%)
   ((resid 69   and name HG  ))
      2.300     0.700     0.700 peak   516 weight  0.10000E+01 volume  0.66321E-02 ppm1      0.654 ppm2      1.359 CV     1
 ASSI {  519}
   ( resid 69   and name HD1%)
   ((resid 69   and name HB3 ))
      2.900     0.600     0.600 peak   519 weight  0.10000E+01 volume  0.85077E-02 ppm1      0.651 ppm2      1.103 CV     1
 ASSI {  520}
   ( resid 91   and name HD1%)
   ((resid 100  and name HN  ))
      4.100     2.200     1.900 peak   520 weight  0.10000E+01 volume  0.19591E-03 ppm1      0.694 ppm2      9.422 CV     1
 ASSI {  521}
   ( resid 91   and name HD1%)
   ((resid 91   and name HN  ))
      3.300     1.300     1.300 peak   521 weight  0.10000E+01 volume  0.81459E-03 ppm1      0.692 ppm2      9.207 CV     1
 ASSI {  522}
   ( resid 91   and name HD1%)
   ((resid 101  and name HN  ))
      3.200     1.300     1.300 peak   522 weight  0.10000E+01 volume  0.89995E-03 ppm1      0.692 ppm2      8.977 CV     1
 ASSI {  523}
   ( resid 91   and name HD1%)
   ((resid 109  and name HN  ))
      3.400     1.500     1.500 peak   523 weight  0.10000E+01 volume  0.59950E-03 ppm1      0.692 ppm2      8.734 CV     1
 ASSI {  524}
   ( resid 91   and name HD1%)
   ((resid 101   and name HE21  ))
      4.500     1.300     1.300 peak   524 weight  0.10000E+01 volume  0.87134E-03 ppm1      0.690 ppm2      7.672 CV     1
 ASSI {  525}
   ( resid 91   and name HD1%)
   ((resid 101  and name HE22))
      4.000     2.000     2.000 peak   525 weight  0.10000E+01 volume  0.22777E-03 ppm1      0.692 ppm2      6.739 CV     1
 ASSI {  526}
   ( resid 91   and name HD1%)
   ((resid 108  and name HA  ))
      3.800     1.800     1.800 peak   526 weight  0.10000E+01 volume  0.34003E-03 ppm1      0.690 ppm2      5.692 CV     1
 ASSI {  527}
   ( resid 91   and name HD1%)
   ((resid 100  and name HA  ))
      4.000     2.000     2.000 peak   527 weight  0.10000E+01 volume  0.24246E-03 ppm1      0.690 ppm2      5.434 CV     1
 ASSI {  528}
   ( resid 91   and name HD1%)
   ((resid 101  and name HA  ))
      3.400     1.500     1.500 peak   528 weight  0.10000E+01 volume  0.61218E-03 ppm1      0.690 ppm2      5.267 CV     1
 ASSI {  529}
   ( resid 91   and name HD1%)
   ((resid 91   and name HA  ))
      3.400     1.500     1.500 peak   529 weight  0.10000E+01 volume  0.60985E-03 ppm1      0.690 ppm2      4.343 CV     1
 ASSI {  530}
   ( resid 91   and name HD1%)
   ((resid 90   and name HA  ))
      3.400     1.500     1.500 peak   530 weight  0.10000E+01 volume  0.59409E-03 ppm1      0.690 ppm2      4.243 CV     1
 ASSI {  532}
   ( resid 91   and name HD1%)
   ((resid 108  and name HG3 ))
      3.300     1.400     1.400 peak   532 weight  0.10000E+01 volume  0.72939E-03 ppm1      0.692 ppm2      2.234 CV     1
 ASSI {  533}
   ( resid 91   and name HD1%)
   ((resid 108  and name HG2 ))
      2.600     0.900     0.900 peak   533 weight  0.10000E+01 volume  0.30539E-02 ppm1      0.692 ppm2      2.007 CV     1
 ASSI {  535}
   ( resid 91   and name HD1%)
   ((resid 91   and name HB3 ))
      2.200     0.600     0.600 peak   535 weight  0.10000E+01 volume  0.77639E-02 ppm1      0.692 ppm2      1.553 CV     1
 ASSI {  536}
   ( resid 91   and name HD1%)
   ((resid 91   and name HG  ))
      2.200     0.600     0.600 peak   536 weight  0.10000E+01 volume  0.87861E-02 ppm1      0.688 ppm2      1.446 CV     1
 ASSI {  537}
   ( resid 91   and name HD1%)
   ((resid 99   and name HG3 ))
      2.900     1.000     1.000 peak   537 weight  0.10000E+01 volume  0.17426E-02 ppm1      0.692 ppm2      1.348 CV     1
 ASSI {  539}
   ( resid 91   and name HD1%)
   ((resid 99   and name HD2 ))
      2.400     0.700     0.700 peak   539 weight  0.10000E+01 volume  0.56950E-02 ppm1      0.690 ppm2      1.090 CV     1
 ASSI {  541}
   ((resid 100  and name HA  ))
   ((resid 100  and name HN  ))
      2.700     0.900     0.900 peak   541 weight  0.10000E+01 volume  0.25560E-02 ppm1      5.457 ppm2      9.408 CV     1
 ASSI {  542}
   ((resid 100  and name HA  ))
   ((resid 91   and name HN  ))
      2.400     0.700     0.700 peak   542 weight  0.10000E+01 volume  0.54847E-02 ppm1      5.457 ppm2      9.221 CV     1
 ASSI {  544}
   ((resid 100  and name HA  ))
   ((resid 89   and name HN  ))
      3.600     1.600     1.600 peak   544 weight  0.10000E+01 volume  0.45012E-03 ppm1      5.456 ppm2      8.749 CV     1
 ASSI {  549}
   ((resid 100  and name HA  ))
   ((resid 90   and name HB  ))
      3.500     1.600     1.600 peak   549 weight  0.10000E+01 volume  0.51924E-03 ppm1      5.458 ppm2      1.960 CV     1
 ASSI {  552}
   ((resid 100  and name HA  ))
   ( resid 100  and name HB% )
      2.000     0.500     0.500 peak   552 weight  0.10000E+01 volume  0.13487E-01 ppm1      5.457 ppm2      1.219 CV     1
 ASSI {  555}
   ((resid 100  and name HA  ))
   ( resid 91   and name HD2%)
      3.100     1.200     1.200 peak   555 weight  0.10000E+01 volume  0.11582E-02 ppm1      5.457 ppm2      0.664 CV     1
 ASSI {  557}
   ((resid 90   and name HA  ))
   ((resid 91   and name HN  ))
      2.000     0.500     0.500 peak   557 weight  0.10000E+01 volume  0.15803E-01 ppm1      4.257 ppm2      9.221 CV     1
 ASSI {  558}
   ((resid 90   and name HA  ))
   ((resid 90   and name HN  ))
      2.600     0.800     0.800 peak   558 weight  0.10000E+01 volume  0.36230E-02 ppm1      4.258 ppm2      8.949 CV     1
 ASSI {  559}
   ((resid 90   and name HA  ))
   ((resid 92   and name HN  ))
      3.100     1.200     1.200 peak   559 weight  0.10000E+01 volume  0.10958E-02 ppm1      4.254 ppm2      7.672 CV     1
 ASSI {  560}
   ((resid 90   and name HA  ))
   ((resid 100  and name HA  ))
      2.200     0.600     0.600 peak   560 weight  0.10000E+01 volume  0.81876E-02 ppm1      4.254 ppm2      5.451 CV     1
 ASSI {  563}
   ((resid 90   and name HA  ))
   ((resid 90   and name HB  ))
      2.900     1.100     1.100 peak   563 weight  0.10000E+01 volume  0.15462E-02 ppm1      4.256 ppm2      1.967 CV     1
 ASSI {  564}
   ((resid 90   and name HA  ))
   ((resid 90   and name HG12))
      2.900     1.100     1.100 peak   564 weight  0.10000E+01 volume  0.16050E-02 ppm1      4.257 ppm2      1.568 CV     1
 ASSI {  566}
   ((resid 90   and name HA  ))
   ( resid 100  and name HB% )
      2.400     0.700     0.700 peak   566 weight  0.10000E+01 volume  0.51987E-02 ppm1      4.255 ppm2      1.223 CV     1
 ASSI {  567}
   ((resid 90   and name HA  ))
   ( resid 90   and name HD1%)
      2.100     0.600     0.600 peak   567 weight  0.10000E+01 volume  0.11033E-01 ppm1      4.256 ppm2      0.738 CV     1
 ASSI {  568}
   ((resid 90   and name HA  ))
   ( resid 90   and name HG2%)
      2.300     0.700     0.700 peak   568 weight  0.10000E+01 volume  0.60290E-02 ppm1      4.256 ppm2      0.555 CV     1
 ASSI {  569}
   ((resid 108  and name HA  ))
   ((resid 100  and name HN  ))
      3.800     1.800     1.800 peak   569 weight  0.10000E+01 volume  0.32441E-03 ppm1      5.703 ppm2      9.407 CV     1
 ASSI {  570}
   ((resid 108  and name HA  ))
   ((resid 101  and name HN  ))
      3.700     1.700     1.700 peak   570 weight  0.10000E+01 volume  0.41240E-03 ppm1      5.700 ppm2      8.948 CV     1
 ASSI {  575}
   ((resid 108  and name HA  ))
   ((resid 107  and name HA  ))
      4.900     1.000     1.000 peak   575 weight  0.10000E+01 volume  0.17226E-02 ppm1      5.701 ppm2      4.193 CV     1
 ASSI {  576}
   ((resid 108  and name HA  ))
   ((resid 109  and name HA2 ))
      3.600     1.600     1.600 peak   576 weight  0.10000E+01 volume  0.43513E-03 ppm1      5.703 ppm2      4.093 CV     1
 ASSI {  577}
   ((resid 108  and name HA  ))
   ((resid 109  and name HA1 ))
      3.900     1.900     1.900 peak   577 weight  0.10000E+01 volume  0.29503E-03 ppm1      5.701 ppm2      3.933 CV     1
 ASSI {  578}
   ((resid 108  and name HA  ))
   ((resid 108  and name HG3 ))
      3.000     1.100     1.100 peak   578 weight  0.10000E+01 volume  0.14454E-02 ppm1      5.700 ppm2      2.243 CV     1
 ASSI {  579}
   ((resid 108  and name HA  ))
   ((resid 108  and name HG2 ))
      2.400     0.700     0.700 peak   579 weight  0.10000E+01 volume  0.52357E-02 ppm1      5.700 ppm2      2.015 CV     1
 ASSI {  580}
   ((resid 108  and name HA  ))
   ((resid 108  and name HB3 ))
      2.600     0.800     0.800 peak   580 weight  0.10000E+01 volume  0.32720E-02 ppm1      5.700 ppm2      1.817 CV     1
 ASSI {  581}
   ((resid 108  and name HA  ))
   ( resid 100  and name HB% )
      4.400     2.500     1.600 peak   581 weight  0.10000E+01 volume  0.13206E-03 ppm1      5.700 ppm2      1.216 CV     1
 ASSI {  582}
   ((resid 108  and name HA  ))
   ( resid 80   and name HD1%)
      2.900     1.100     1.100 peak   582 weight  0.10000E+01 volume  0.16081E-02 ppm1      5.700 ppm2      0.799 CV     1
 ASSI {  583}
   ((resid 108  and name HA  ))
   ( resid 80   and name HD2%)
      2.500     0.800     0.800 peak   583 weight  0.10000E+01 volume  0.44023E-02 ppm1      5.700 ppm2      0.656 CV     1
 ASSI {  585}
   ((resid 108  and name HA  ))
   ((resid 108  and name HB2 ))
      2.500     0.800     0.800 peak   585 weight  0.10000E+01 volume  0.40034E-02 ppm1      5.700 ppm2      1.876 CV     1
 ASSI {  587}
   ((resid 110  and name HA  ))
   ((resid 111  and name HN  ))
      2.000     0.500     0.500 peak   587 weight  0.10000E+01 volume  0.15041E-01 ppm1      5.648 ppm2      9.568 CV     1
 ASSI {  588}
   ((resid 110  and name HA  ))
   ((resid 100  and name HN  ))
      2.800     1.000     1.000 peak   588 weight  0.10000E+01 volume  0.21896E-02 ppm1      5.644 ppm2      9.415 CV     1
 ASSI {  589}
   ((resid 110  and name HA  ))
   ((resid 110  and name HN  ))
      2.700     0.900     0.900 peak   589 weight  0.10000E+01 volume  0.27678E-02 ppm1      5.647 ppm2      8.713 CV     1
 ASSI {  590}
   ((resid 110  and name HA  ))
   ( resid 110  and name HD% )
      3.200     1.300     1.300 peak   590 weight  0.10000E+01 volume  0.98731E-03 ppm1      5.646 ppm2      7.141 CV     1
 ASSI {  593}
   ((resid 110  and name HA  ))
   ((resid 110  and name HB3 ))
      2.200     0.600     0.600 peak   593 weight  0.10000E+01 volume  0.92824E-02 ppm1      5.646 ppm2      3.138 CV     1
 ASSI {  594}
   ((resid 110  and name HA  ))
   ((resid 110  and name HB2 ))
      3.700     1.700     1.700 peak   594 weight  0.10000E+01 volume  0.41363E-03 ppm1      5.648 ppm2      2.937 CV     1
 ASSI {  595}
   ((resid 110  and name HA  ))
   ((resid 99   and name HD3 ))
      3.800     1.800     1.800 peak   595 weight  0.10000E+01 volume  0.32951E-03 ppm1      5.649 ppm2      0.751 CV     1
 ASSI {  596}
   ((resid 110  and name HA  ))
   ((resid 111  and name HG12))
      3.500     1.500     1.500 peak   596 weight  0.10000E+01 volume  0.57136E-03 ppm1      5.649 ppm2      0.999 CV     1
 ASSI {  597}
   ((resid 110  and name HA  ))
   ((resid 99   and name HD2 ))
      3.000     1.100     1.100 peak   597 weight  0.10000E+01 volume  0.13930E-02 ppm1      5.647 ppm2      1.113 CV     1
 ASSI {  598}
   ((resid 110  and name HA  ))
   ( resid 100  and name HB% )
      4.400     2.400     1.600 peak   598 weight  0.10000E+01 volume  0.14426E-03 ppm1      5.649 ppm2      1.207 CV     1
 ASSI {  599}
   ((resid 110  and name HA  ))
   ((resid 111  and name HG13))
      3.700     1.700     1.700 peak   599 weight  0.10000E+01 volume  0.38735E-03 ppm1      5.646 ppm2      1.398 CV     1
 ASSI {  600}
   ((resid 110  and name HA  ))
   ((resid 99   and name HB2 ))
      4.100     2.100     1.900 peak   600 weight  0.10000E+01 volume  0.19947E-03 ppm1      5.649 ppm2      1.566 CV     1
 ASSI {  601}
   ((resid 110  and name HA  ))
   ((resid 99   and name HB3 ))
      4.000     2.000     2.000 peak   601 weight  0.10000E+01 volume  0.24834E-03 ppm1      5.649 ppm2      1.654 CV     1
 ASSI {  602}
   ((resid 110  and name HA  ))
   ((resid 98   and name HN  ))
      4.200     2.200     1.800 peak   602 weight  0.10000E+01 volume  0.18463E-03 ppm1      5.646 ppm2      9.006 CV     1
 ASSI {  603}
   ((resid 110  and name HB3 ))
   ((resid 111  and name HN  ))
      2.900     1.100     1.100 peak   603 weight  0.10000E+01 volume  0.15927E-02 ppm1      3.138 ppm2      9.561 CV     1
 ASSI {  604}
   ((resid 110  and name HB3 ))
   ((resid 80   and name HN  ))
      4.100     2.100     1.900 peak   604 weight  0.10000E+01 volume  0.21602E-03 ppm1      3.145 ppm2      9.092 CV     1
 ASSI {  605}
   ((resid 110  and name HB3 ))
   ((resid 110  and name HN  ))
      2.500     0.800     0.800 peak   605 weight  0.10000E+01 volume  0.37421E-02 ppm1      3.138 ppm2      8.715 CV     1
 ASSI {  607}
   ((resid 110  and name HB3 ))
   ( resid 110  and name HD% )
      2.300     0.600     0.600 peak   607 weight  0.10000E+01 volume  0.75057E-02 ppm1      3.138 ppm2      7.166 CV     1
 ASSI {  608}
   ((resid 110  and name HB3 ))
   ((resid 97   and name HZ3 ))
      5.000     3.100     1.000 peak   608 weight  0.10000E+01 volume  0.67264E-04 ppm1      3.141 ppm2      6.736 CV     1
 ASSI {  610}
   ((resid 110  and name HB3 ))
   ((resid 79   and name HA  ))
      2.500     0.800     0.800 peak   610 weight  0.10000E+01 volume  0.43776E-02 ppm1      3.141 ppm2      5.333 CV     1
 ASSI {  611}
   ((resid 110  and name HB3 ))
   ((resid 99   and name HA  ))
      4.100     2.100     1.900 peak   611 weight  0.10000E+01 volume  0.22158E-03 ppm1      3.147 ppm2      4.415 CV     1
 ASSI {  612}
   ((resid 110  and name HB3 ))
   ((resid 109  and name HA1 ))
      4.300     2.300     1.700 peak   612 weight  0.10000E+01 volume  0.15030E-03 ppm1      3.150 ppm2      3.913 CV     1
 ASSI {  614}
   ((resid 110  and name HB3 ))
   ((resid 110  and name HB2 ))
      2.300     0.700     0.700 peak   614 weight  0.10000E+01 volume  0.64033E-02 ppm1      3.149 ppm2      2.966 CV     1
 ASSI {  615}
   ((resid 110  and name HB3 ))
   ((resid 97   and name HA  ))
      3.900     1.900     1.900 peak   615 weight  0.10000E+01 volume  0.30215E-03 ppm1      3.145 ppm2      5.215 CV     1
 ASSI {  616}
   ((resid 98   and name HA  ))
   ((resid 98   and name HE1 ))
      3.500     1.600     1.600 peak   616 weight  0.10000E+01 volume  0.50750E-03 ppm1      5.445 ppm2      9.522 CV     1
 ASSI {  617}
   ((resid 98   and name HA  ))
   ((resid 98   and name HN  ))
      2.700     0.900     0.900 peak   617 weight  0.10000E+01 volume  0.23256E-02 ppm1      5.446 ppm2      9.006 CV     1
 ASSI {  618}
   ((resid 98   and name HA  ))
   ((resid 99   and name HN  ))
      2.100     0.500     0.500 peak   618 weight  0.10000E+01 volume  0.12215E-01 ppm1      5.445 ppm2      8.716 CV     1
 ASSI {  620}
   ((resid 98   and name HA  ))
   ((resid 98   and name HE3 ))
      3.500     1.500     1.500 peak   620 weight  0.10000E+01 volume  0.54414E-03 ppm1      5.445 ppm2      7.210 CV     1
 ASSI {  621}
   ((resid 98   and name HA  ))
   ((resid 98   and name HD1 ))
      2.200     0.600     0.600 peak   621 weight  0.10000E+01 volume  0.85727E-02 ppm1      5.446 ppm2      6.883 CV     1
 ASSI {  625}
   ((resid 98   and name HA  ))
   ((resid 93   and name HA  ))
      2.700     0.900     0.900 peak   625 weight  0.10000E+01 volume  0.26241E-02 ppm1      5.447 ppm2      3.584 CV     1
 ASSI {  626}
   ((resid 98   and name HA  ))
   ((resid 98   and name HB3 ))
      2.600     0.800     0.800 peak   626 weight  0.10000E+01 volume  0.33122E-02 ppm1      5.444 ppm2      3.324 CV     1
 ASSI {  627}
   ((resid 98   and name HA  ))
   ((resid 98   and name HB2 ))
      2.900     1.000     1.000 peak   627 weight  0.10000E+01 volume  0.17133E-02 ppm1      5.446 ppm2      2.951 CV     1
 ASSI {  634}
   ((resid 98   and name HA  ))
   ( resid 90   and name HG2%)
      3.600     1.600     1.600 peak   634 weight  0.10000E+01 volume  0.45461E-03 ppm1      5.445 ppm2      0.555 CV     1
 ASSI {  635}
   ((resid 98   and name HB3 ))
   ((resid 98   and name HE1 ))
      4.500     2.500     1.500 peak   635 weight  0.10000E+01 volume  0.11752E-03 ppm1      3.328 ppm2      9.551 CV     1
 ASSI {  636}
   ((resid 98   and name HB3 ))
   ((resid 98   and name HN  ))
      2.700     0.900     0.900 peak   636 weight  0.10000E+01 volume  0.24307E-02 ppm1      3.329 ppm2      9.012 CV     1
 ASSI {  637}
   ((resid 98   and name HB3 ))
   ((resid 99   and name HN  ))
      2.700     0.900     0.900 peak   637 weight  0.10000E+01 volume  0.27942E-02 ppm1      3.329 ppm2      8.707 CV     1
 ASSI {  639}
   ((resid 98   and name HB3 ))
   ((resid 98   and name HE3 ))
      2.700     0.900     0.900 peak   639 weight  0.10000E+01 volume  0.27045E-02 ppm1      3.330 ppm2      7.218 CV     1
 ASSI {  640}
   ((resid 98   and name HB3 ))
   ((resid 98   and name HD1 ))
      3.200     1.300     1.300 peak   640 weight  0.10000E+01 volume  0.91263E-03 ppm1      3.328 ppm2      6.875 CV     1
 ASSI {  645}
   ((resid 98   and name HB3 ))
   ((resid 99   and name HB3 ))
      4.900     3.000     1.100 peak   645 weight  0.10000E+01 volume  0.73294E-04 ppm1      3.322 ppm2      1.646 CV     1
 ASSI {  646}
   ((resid 98   and name HB3 ))
   ((resid 111  and name HG13))
      2.900     1.000     1.000 peak   646 weight  0.10000E+01 volume  0.17782E-02 ppm1      3.325 ppm2      1.396 CV     1
 ASSI {  648}
   ((resid 98   and name HB3 ))
   ( resid 100  and name HB% )
      3.600     1.700     1.700 peak   648 weight  0.10000E+01 volume  0.42523E-03 ppm1      3.326 ppm2      1.224 CV     1
 ASSI {  650}
   ((resid 98   and name HB3 ))
   ( resid 90   and name HD1%)
      2.800     1.000     1.000 peak   650 weight  0.10000E+01 volume  0.20039E-02 ppm1      3.328 ppm2      0.740 CV     1
 ASSI {  652}
   ((resid 98   and name HB3 ))
   ( resid 111  and name HD1%)
      3.000     1.200     1.200 peak   652 weight  0.10000E+01 volume  0.12665E-02 ppm1      3.326 ppm2      0.452 CV     1
 ASSI {  655}
   ((resid 98   and name HB2 ))
   ( resid 90   and name HD1%)
      2.900     1.000     1.000 peak   655 weight  0.10000E+01 volume  0.18200E-02 ppm1      2.967 ppm2      0.734 CV     1
 ASSI {  659}
   ((resid 98   and name HB2 ))
   ((resid 111  and name HG13))
      2.600     0.800     0.800 peak   659 weight  0.10000E+01 volume  0.32596E-02 ppm1      2.968 ppm2      1.402 CV     1
 ASSI {  660}
   ((resid 98   and name HB2 ))
   ((resid 99   and name HB3 ))
      6.000     1.700     1.000 peak   660 weight  0.10000E+01 volume  0.38611E-03 ppm1      2.964 ppm2      1.647 CV     1
 ASSI {  663}
   ((resid 98   and name HB2 ))
   ((resid 98   and name HB3 ))
      1.800     0.400     0.400 peak   663 weight  0.10000E+01 volume  0.32117E-01 ppm1      2.970 ppm2      3.324 CV     1
 ASSI {  664}
   ((resid 98   and name HB2 ))
   ((resid 97   and name HA  ))
      3.600     1.600     1.600 peak   664 weight  0.10000E+01 volume  0.46311E-03 ppm1      2.968 ppm2      5.227 CV     1
 ASSI {  667}
   ((resid 98   and name HB2 ))
   ((resid 98   and name HD1 ))
      3.600     1.600     1.600 peak   667 weight  0.10000E+01 volume  0.49543E-03 ppm1      2.967 ppm2      6.875 CV     1
 ASSI {  668}
   ((resid 98   and name HB2 ))
   ((resid 98   and name HE3 ))
      2.600     0.900     0.900 peak   668 weight  0.10000E+01 volume  0.29828E-02 ppm1      2.961 ppm2      7.213 CV     1
 ASSI {  669}
   ((resid 98   and name HB2 ))
   ((resid 99   and name HN  ))
      3.000     1.200     1.200 peak   669 weight  0.10000E+01 volume  0.12534E-02 ppm1      2.963 ppm2      8.701 CV     1
 ASSI {  671}
   ((resid 98   and name HB2 ))
   ((resid 98   and name HE1 ))
      3.800     1.800     1.800 peak   671 weight  0.10000E+01 volume  0.31869E-03 ppm1      2.970 ppm2      9.555 CV     1
 ASSI {  676}
   ( resid 88   and name HD1%)
   ((resid 66   and name HN  ))
      4.700     2.800     1.300 peak   676 weight  0.10000E+01 volume  0.88912E-04 ppm1      0.044 ppm2      9.041 CV     1
 ASSI {  678}
   ((resid 82   and name HB3 ))
   ((resid 82   and name HN  ))
      3.300     1.400     1.400 peak   678 weight  0.10000E+01 volume  0.77454E-03 ppm1      3.280 ppm2      7.887 CV     1
 ASSI {  679}
   ((resid 82   and name HB3 ))
   ( resid 82   and name HE% )
      3.700     1.700     1.700 peak   679 weight  0.10000E+01 volume  0.37065E-03 ppm1      3.280 ppm2      7.471 CV     1
 ASSI {  680}
   ((resid 82   and name HB3 ))
   ( resid 82   and name HD% )
      2.200     0.600     0.600 peak   680 weight  0.10000E+01 volume  0.83547E-02 ppm1      3.278 ppm2      6.969 CV     1
 ASSI {  684}
   ((resid 82   and name HB3 ))
   ((resid 86   and name HB2 ))
      3.200     1.300     1.300 peak   684 weight  0.10000E+01 volume  0.93845E-03 ppm1      3.280 ppm2      2.363 CV     1
 ASSI {  686}
   ((resid 82   and name HB3 ))
   ((resid 80   and name HG  ))
      3.400     1.500     1.500 peak   686 weight  0.10000E+01 volume  0.59301E-03 ppm1      3.280 ppm2      1.760 CV     1
 ASSI {  687}
   ((resid 82   and name HB3 ))
   ( resid 68   and name HB% )
      3.300     1.400     1.400 peak   687 weight  0.10000E+01 volume  0.75521E-03 ppm1      3.280 ppm2      1.674 CV     1
 ASSI {  689}
   ((resid 82   and name HB3 ))
   ( resid 88   and name HD2%)
      2.500     0.800     0.800 peak   689 weight  0.10000E+01 volume  0.41627E-02 ppm1      3.280 ppm2      0.627 CV     1
 ASSI {  691}
   ((resid 82   and name HB3 ))
   ( resid 88   and name HD1%)
      3.000     1.100     1.100 peak   691 weight  0.10000E+01 volume  0.14322E-02 ppm1      3.282 ppm2      0.039 CV     1
 ASSI {  692}
   ( resid 88   and name HD1%)
   ((resid 88   and name HB2 ))
      2.400     0.700     0.700 peak   692 weight  0.10000E+01 volume  0.48121E-02 ppm1      0.045 ppm2      1.172 CV     1
 ASSI {  694}
   ((resid 86   and name HG2 ))
   ((resid 87   and name HN  ))
      3.500     0.900     0.900 peak   694 weight  0.10000E+01 volume  0.26256E-02 ppm1      2.485 ppm2      8.424 CV     1
 ASSI {  695}
   ((resid 86   and name HG2 ))
   ((resid 86   and name HN  ))
      3.000     1.100     1.100 peak   695 weight  0.10000E+01 volume  0.13013E-02 ppm1      2.487 ppm2      8.107 CV     1
 ASSI {  696}
   ((resid 86   and name HG2 ))
   ((resid 86   and name HA  ))
      2.500     0.800     0.800 peak   696 weight  0.10000E+01 volume  0.41394E-02 ppm1      2.487 ppm2      4.185 CV     1
 ASSI {  697}
   ((resid 86   and name HG2 ))
   ((resid 82   and name HB2 ))
      3.800     1.800     1.800 peak   697 weight  0.10000E+01 volume  0.35333E-03 ppm1      2.487 ppm2      2.894 CV     1
 ASSI {  699}
   ((resid 86   and name HG2 ))
   ((resid 86   and name HG3 ))
      1.600     0.300     0.600 peak   699 weight  0.10000E+01 volume  0.60414E-01 ppm1      2.489 ppm2      2.377 CV     1
 ASSI {  700}
   ((resid 86   and name HG2 ))
   ((resid 86   and name HB3 ))
      2.300     0.700     0.700 peak   700 weight  0.10000E+01 volume  0.61574E-02 ppm1      2.487 ppm2      2.112 CV     1
 ASSI {  701}
   ((resid 86   and name HG2 ))
   ((resid 83   and name HB2 ))
      3.100     1.200     1.200 peak   701 weight  0.10000E+01 volume  0.11735E-02 ppm1      2.487 ppm2      1.938 CV     1
 ASSI {  702}
   ((resid 86   and name HG2 ))
   ( resid 68   and name HB% )
      4.100     2.100     1.900 peak   702 weight  0.10000E+01 volume  0.22267E-03 ppm1      2.485 ppm2      1.664 CV     1
 ASSI {  704}
   ((resid 86   and name HG2 ))
   ( resid 88   and name HD2%)
      3.200     1.300     1.300 peak   704 weight  0.10000E+01 volume  0.89052E-03 ppm1      2.487 ppm2      0.629 CV     1
 ASSI {  705}
   ((resid 86   and name HG2 ))
   ( resid 88   and name HD1%)
      4.400     2.400     1.600 peak   705 weight  0.10000E+01 volume  0.13360E-03 ppm1      2.487 ppm2      0.032 CV     1
 ASSI {  709}
   ((resid 86   and name HG3 ))
   ( resid 68   and name HB% )
      3.800     1.800     1.800 peak   709 weight  0.10000E+01 volume  0.31529E-03 ppm1      2.370 ppm2      1.674 CV     1
 ASSI {  714}
   ((resid 86   and name HG3 ))
   ((resid 82   and name HB2 ))
      3.500     1.500     1.500 peak   714 weight  0.10000E+01 volume  0.52682E-03 ppm1      2.370 ppm2      2.894 CV     1
 ASSI {  715}
   ((resid 86   and name HG3 ))
   ((resid 86   and name HA  ))
      2.600     0.800     0.800 peak   715 weight  0.10000E+01 volume  0.34962E-02 ppm1      2.368 ppm2      4.185 CV     1
 ASSI {  719}
   ((resid 86   and name HB2 ))
   ((resid 83   and name HN  ))
      3.500     1.500     1.500 peak   719 weight  0.10000E+01 volume  0.55451E-03 ppm1      2.389 ppm2      8.977 CV     1
 ASSI {  722}
   ((resid 86   and name HB2 ))
   ( resid 82   and name HD% )
      4.300     2.300     1.700 peak   722 weight  0.10000E+01 volume  0.16097E-03 ppm1      2.391 ppm2      6.969 CV     1
 ASSI {  726}
   ((resid 86   and name HB2 ))
   ((resid 86   and name HG2 ))
      2.400     0.700     0.700 peak   726 weight  0.10000E+01 volume  0.57012E-02 ppm1      2.391 ppm2      2.464 CV     1
 ASSI {  727}
   ((resid 86   and name HB2 ))
   ((resid 86   and name HG3 ))
      3.600     1.000     1.000 peak   727 weight  0.10000E+01 volume  0.13742E-01 ppm1      2.388 ppm2      2.358 CV     1
 ASSI {  728}
   ((resid 86   and name HB2 ))
   ((resid 86   and name HB3 ))
      2.100     0.500     0.500 peak   728 weight  0.10000E+01 volume  0.12662E-01 ppm1      2.391 ppm2      2.105 CV     1
 ASSI {  729}
   ((resid 86   and name HB2 ))
   ((resid 83   and name HB2 ))
      3.100     1.200     1.200 peak   729 weight  0.10000E+01 volume  0.11130E-02 ppm1      2.390 ppm2      1.936 CV     1
 ASSI {  731}
   ((resid 86   and name HB2 ))
   ((resid 88   and name HG  ))
      4.600     2.600     1.400 peak   731 weight  0.10000E+01 volume  0.10654E-03 ppm1      2.387 ppm2      1.311 CV     1
 ASSI {  732}
   ((resid 86   and name HB2 ))
   ( resid 88   and name HD2%)
      3.500     1.500     1.500 peak   732 weight  0.10000E+01 volume  0.55543E-03 ppm1      2.386 ppm2      0.629 CV     1
 ASSI {  733}
   ((resid 86   and name HB2 ))
   ( resid 88   and name HD1%)
      4.300     2.300     1.700 peak   733 weight  0.10000E+01 volume  0.15648E-03 ppm1      2.386 ppm2      0.031 CV     1
 ASSI {  734}
   ((resid 86   and name HB3 ))
   ( resid 88   and name HD1%)
      3.600     1.600     1.600 peak   734 weight  0.10000E+01 volume  0.45647E-03 ppm1      2.113 ppm2      0.042 CV     1
 ASSI {  736}
   ((resid 86   and name HB3 ))
   ((resid 88   and name HG  ))
      4.800     2.800     1.200 peak   736 weight  0.10000E+01 volume  0.84273E-04 ppm1      2.113 ppm2      1.326 CV     1
 ASSI {  738}
   ((resid 86   and name HB3 ))
   ((resid 83   and name HB2 ))
      3.800     1.800     1.800 peak   738 weight  0.10000E+01 volume  0.34884E-03 ppm1      2.119 ppm2      1.948 CV     1
 ASSI {  740}
   ((resid 86   and name HB3 ))
   ((resid 86   and name HG3 ))
      1.800     0.400     0.400 peak   740 weight  0.10000E+01 volume  0.34390E-01 ppm1      2.119 ppm2      2.363 CV     1
 ASSI {  742}
   ((resid 86   and name HB3 ))
   ((resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   742 weight  0.10000E+01 volume  0.21432E-02 ppm1      2.119 ppm2      2.894 CV     1
 ASSI {  743}
   ((resid 86   and name HB3 ))
   ((resid 82   and name HB3 ))
      3.400     1.400     1.400 peak   743 weight  0.10000E+01 volume  0.68532E-03 ppm1      2.119 ppm2      3.267 CV     1
 ASSI {  744}
   ((resid 86   and name HB3 ))
   ((resid 86   and name HA  ))
      2.500     0.800     0.800 peak   744 weight  0.10000E+01 volume  0.42044E-02 ppm1      2.116 ppm2      4.171 CV     1
 ASSI {  745}
   ((resid 86   and name HB3 ))
   ( resid 82   and name HD% )
      3.600     1.700     1.700 peak   745 weight  0.10000E+01 volume  0.42678E-03 ppm1      2.116 ppm2      6.969 CV     1
 ASSI {  748}
   ((resid 86   and name HB3 ))
   ((resid 83   and name HN  ))
      2.900     1.000     1.000 peak   748 weight  0.10000E+01 volume  0.18092E-02 ppm1      2.118 ppm2      8.985 CV     1
 ASSI {  751}
   ((resid 86   and name HA  ))
   ((resid 86   and name HB2 ))
      2.500     0.800     0.800 peak   751 weight  0.10000E+01 volume  0.45925E-02 ppm1      4.190 ppm2      2.377 CV     1
 ASSI {  753}
   ((resid 86   and name HA  ))
   ((resid 87   and name HB2 ))
      4.700     1.100     1.100 peak   753 weight  0.10000E+01 volume  0.13947E-02 ppm1      4.190 ppm2      1.963 CV     1
 OR {  753}
   ((resid 86   and name HA  ))
   ((resid 87   and name HB3 ))
 ASSI {  754}
   ((resid 86   and name HA  ))
   ( resid 68   and name HB% )
      4.100     2.100     1.900 peak   754 weight  0.10000E+01 volume  0.22221E-03 ppm1      4.188 ppm2      1.674 CV     1
 ASSI {  755}
   ((resid 86   and name HA  ))
   ((resid 87   and name HA  ))
      4.100     2.100     1.900 peak   755 weight  0.10000E+01 volume  0.19793E-03 ppm1      4.190 ppm2      5.247 CV     1
 ASSI {  758}
   ( resid 100  and name HB% )
   ((resid 100  and name HN  ))
      2.400     0.700     0.700 peak   758 weight  0.10000E+01 volume  0.52280E-02 ppm1      1.223 ppm2      9.409 CV     1
 ASSI {  759}
   ( resid 100  and name HB% )
   ((resid 91   and name HN  ))
      3.000     1.200     1.200 peak   759 weight  0.10000E+01 volume  0.12472E-02 ppm1      1.223 ppm2      9.227 CV     1
 ASSI {  762}
   ( resid 100  and name HB% )
   ((resid 92   and name HN  ))
      4.400     2.400     1.600 peak   762 weight  0.10000E+01 volume  0.13685E-03 ppm1      1.227 ppm2      7.666 CV     1
 ASSI {  763}
   ( resid 100  and name HB% )
   ( resid 82   and name HE% )
      4.500     2.600     1.500 peak   763 weight  0.10000E+01 volume  0.11674E-03 ppm1      1.227 ppm2      7.471 CV     1
 ASSI {  764}
   ( resid 100  and name HB% )
   ((resid 98   and name HE3 ))
      4.400     2.400     1.600 peak   764 weight  0.10000E+01 volume  0.13700E-03 ppm1      1.225 ppm2      7.206 CV     1
 ASSI {  768}
   ( resid 100  and name HB% )
   ((resid 98   and name HB2 ))
      3.800     1.800     1.800 peak   768 weight  0.10000E+01 volume  0.32348E-03 ppm1      1.221 ppm2      2.969 CV     1
 ASSI {  769}
   ( resid 100  and name HB% )
   ((resid 90   and name HB  ))
      3.800     1.800     1.800 peak   769 weight  0.10000E+01 volume  0.31885E-03 ppm1      1.223 ppm2      1.965 CV     1
 ASSI {  770}
   ( resid 100  and name HB% )
   ( resid 88   and name HD1%)
      2.800     1.000     1.000 peak   770 weight  0.10000E+01 volume  0.21663E-02 ppm1      1.221 ppm2      0.031 CV     1
 ASSI {  771}
   ( resid 100  and name HB% )
   ( resid 111  and name HD1%)
      2.200     0.600     0.600 peak   771 weight  0.10000E+01 volume  0.83593E-02 ppm1      1.222 ppm2      0.453 CV     1
 ASSI {  772}
   ( resid 100  and name HB% )
   ( resid 88   and name HD2%)
      2.100     0.600     0.600 peak   772 weight  0.10000E+01 volume  0.11251E-01 ppm1      1.221 ppm2      0.641 CV     1
 ASSI {  773}
   ( resid 100  and name HB% )
   ( resid 90   and name HD1%)
      2.400     0.700     0.700 peak   773 weight  0.10000E+01 volume  0.47812E-02 ppm1      1.224 ppm2      0.732 CV     1
 ASSI {  775}
   ((resid 89   and name HG3 ))
   ((resid 90   and name HN  ))
      3.200     1.300     1.300 peak   775 weight  0.10000E+01 volume  0.93535E-03 ppm1      1.462 ppm2      8.949 CV     1
 ASSI {  777}
   ((resid 89   and name HG3 ))
   ((resid 89   and name HE  ))
      3.700     1.700     1.700 peak   777 weight  0.10000E+01 volume  0.38874E-03 ppm1      1.462 ppm2      7.596 CV     1
 ASSI {  780}
   ((resid 89   and name HG3 ))
   ((resid 101  and name HB3 ))
      3.300     1.400     1.400 peak   780 weight  0.10000E+01 volume  0.77454E-03 ppm1      1.465 ppm2      1.952 CV     1
 ASSI {  781}
   ((resid 89   and name HG3 ))
   ( resid 91   and name HD2%)
      3.000     1.200     1.200 peak   781 weight  0.10000E+01 volume  0.12607E-02 ppm1      1.463 ppm2      0.668 CV     1
 ASSI {  782}
   ((resid 89   and name HG3 ))
   ( resid 103  and name HD2%)
      3.800     1.000     2.000 peak   782 weight  0.10000E+01 volume  0.21153E-02 ppm1      1.463 ppm2      0.793 CV     1
 ASSI {  787}
   ((resid 101  and name HA  ))
   ((resid 108  and name HA  ))
      2.100     0.500     0.500 peak   787 weight  0.10000E+01 volume  0.12306E-01 ppm1      5.276 ppm2      5.687 CV     1
 ASSI {  789}
   ((resid 101  and name HA  ))
   ((resid 102  and name HB2 ))
      3.400     1.500     1.500 peak   789 weight  0.10000E+01 volume  0.61512E-03 ppm1      5.274 ppm2      4.181 CV     1
 ASSI {  790}
   ((resid 101  and name HA  ))
   ((resid 108  and name HG3 ))
      4.400     2.400     1.600 peak   790 weight  0.10000E+01 volume  0.14690E-03 ppm1      5.276 ppm2      2.258 CV     1
 ASSI {  792}
   ((resid 101  and name HA  ))
   ((resid 101  and name HB3 ))
      3.000     1.100     1.100 peak   792 weight  0.10000E+01 volume  0.14393E-02 ppm1      5.274 ppm2      1.987 CV     1
 ASSI {  793}
   ((resid 101  and name HA  ))
   ((resid 101  and name HB2 ))
      2.500     0.800     0.800 peak   793 weight  0.10000E+01 volume  0.42214E-02 ppm1      5.274 ppm2      1.714 CV     1
 ASSI {  794}
   ((resid 101  and name HA  ))
   ( resid 100  and name HB% )
      3.700     1.700     1.700 peak   794 weight  0.10000E+01 volume  0.40992E-03 ppm1      5.279 ppm2      1.214 CV     1
 ASSI {  796}
   ((resid 101  and name HA  ))
   ( resid 80   and name HD2%)
      2.700     0.900     0.900 peak   796 weight  0.10000E+01 volume  0.26720E-02 ppm1      5.280 ppm2      0.650 CV     1
 ASSI {  797}
   ((resid 79   and name HA  ))
   ((resid 80   and name HN  ))
      2.100     0.600     0.600 peak   797 weight  0.10000E+01 volume  0.11032E-01 ppm1      5.339 ppm2      9.098 CV     1
 ASSI {  800}
   ((resid 79   and name HA  ))
   ( resid 110  and name HD% )
      3.900     1.900     1.900 peak   800 weight  0.10000E+01 volume  0.28931E-03 ppm1      5.341 ppm2      7.183 CV     1
 ASSI {  801}
   ((resid 79   and name HA  ))
   ((resid 97   and name HZ3 ))
      4.200     2.200     1.800 peak   801 weight  0.10000E+01 volume  0.19158E-03 ppm1      5.341 ppm2      6.720 CV     1
 ASSI {  806}
   ((resid 79   and name HA  ))
   ((resid 109  and name HA1 ))
      3.300     1.300     1.300 peak   806 weight  0.10000E+01 volume  0.81815E-03 ppm1      5.340 ppm2      3.924 CV     1
 ASSI {  808}
   ((resid 79   and name HA  ))
   ((resid 79   and name HB3 ))
      2.600     0.800     0.800 peak   808 weight  0.10000E+01 volume  0.34328E-02 ppm1      5.340 ppm2      2.993 CV     1
 ASSI {  809}
   ((resid 79   and name HA  ))
   ((resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   809 weight  0.10000E+01 volume  0.43869E-02 ppm1      5.340 ppm2      2.909 CV     1
 ASSI {  810}
   ((resid 79   and name HA  ))
   ((resid 80   and name HB2 ))
      4.300     2.300     1.700 peak   810 weight  0.10000E+01 volume  0.16855E-03 ppm1      5.340 ppm2      0.727 CV     1
 ASSI {  811}
   ((resid 79   and name HA  ))
   ( resid 111  and name HG2%)
      4.100     2.100     1.900 peak   811 weight  0.10000E+01 volume  0.20426E-03 ppm1      5.340 ppm2      1.116 CV     1
 ASSI {  812}
   ((resid 79   and name HA  ))
   ((resid 80   and name HB3 ))
      3.200     1.300     1.300 peak   812 weight  0.10000E+01 volume  0.99334E-03 ppm1      5.336 ppm2      1.760 CV     1
 ASSI {  815}
   ((resid 65   and name HA  ))
   ((resid 89   and name HN  ))
      4.000     2.000     2.000 peak   815 weight  0.10000E+01 volume  0.25034E-03 ppm1      5.191 ppm2      8.770 CV     1
 ASSI {  818}
   ((resid 65   and name HA  ))
   ((resid 118  and name HA  ))
      3.900     1.900     1.900 peak   818 weight  0.10000E+01 volume  0.29364E-03 ppm1      5.191 ppm2      4.279 CV     1
 ASSI {  824}
   ((resid 65   and name HA  ))
   ( resid 66   and name HG2%)
      3.200     1.300     1.300 peak   824 weight  0.10000E+01 volume  0.96799E-03 ppm1      5.192 ppm2      0.590 CV     1
 ASSI {  828}
   ((resid 65   and name HG  ))
   ((resid 64   and name HN  ))
      3.900     1.900     1.900 peak   828 weight  0.10000E+01 volume  0.27849E-03 ppm1      1.528 ppm2      8.518 CV     1
 ASSI {  830}
   ((resid 65   and name HG  ))
   ((resid 65   and name HA  ))
      2.900     1.000     1.000 peak   830 weight  0.10000E+01 volume  0.17907E-02 ppm1      1.524 ppm2      5.181 CV     1
 ASSI {  834}
   ((resid 65   and name HG  ))
   ( resid 65   and name HD2%)
      2.800     1.000     1.000 peak   834 weight  0.10000E+01 volume  0.22406E-02 ppm1      1.526 ppm2      0.867 CV     1
 ASSI {  844}
   ((resid 97   and name HA  ))
   ((resid 111  and name HN  ))
      3.700     1.700     1.700 peak   844 weight  0.10000E+01 volume  0.41781E-03 ppm1      5.229 ppm2      9.568 CV     1
 ASSI {  845}
   ((resid 97   and name HA  ))
   ((resid 98   and name HN  ))
      1.900     0.500     0.500 peak   845 weight  0.10000E+01 volume  0.18448E-01 ppm1      5.229 ppm2      9.008 CV     1
 ASSI {  847}
   ((resid 97   and name HA  ))
   ((resid 113  and name HN  ))
      3.100     1.200     1.200 peak   847 weight  0.10000E+01 volume  0.11365E-02 ppm1      5.228 ppm2      7.540 CV     1
 ASSI {  848}
   ((resid 97   and name HA  ))
   ((resid 97   and name HE3 ))
      2.600     0.800     0.800 peak   848 weight  0.10000E+01 volume  0.33184E-02 ppm1      5.228 ppm2      7.150 CV     1
 ASSI {  849}
   ((resid 97   and name HA  ))
   ((resid 98   and name HD1 ))
      3.900     1.900     1.900 peak   849 weight  0.10000E+01 volume  0.29024E-03 ppm1      5.227 ppm2      6.878 CV     1
 ASSI {  851}
   ((resid 97   and name HA  ))
   ((resid 112  and name HA  ))
      2.900     1.000     1.000 peak   851 weight  0.10000E+01 volume  0.18292E-02 ppm1      5.227 ppm2      3.653 CV     1
 ASSI {  852}
   ((resid 97   and name HA  ))
   ((resid 97   and name HB3 ))
      2.200     0.600     0.600 peak   852 weight  0.10000E+01 volume  0.10008E-01 ppm1      5.227 ppm2      2.944 CV     1
 ASSI {  854}
   ((resid 87   and name HA  ))
   ((resid 68   and name HN  ))
      3.300     1.400     1.400 peak   854 weight  0.10000E+01 volume  0.78923E-03 ppm1      5.239 ppm2      8.543 CV     1
 ASSI {  860}
   ((resid 87   and name HA  ))
   ((resid 87   and name HB3 ))
      2.700     0.900     0.900 peak   860 weight  0.10000E+01 volume  0.23195E-02 ppm1      5.238 ppm2      2.091 CV     1
 ASSI {  861}
   ((resid 87   and name HA  ))
   ((resid 87   and name HB2 ))
      2.300     0.700     0.700 peak   861 weight  0.10000E+01 volume  0.63738E-02 ppm1      5.238 ppm2      2.003 CV     1
 ASSI {  862}
   ((resid 87   and name HA  ))
   ((resid 67   and name HG13))
      3.400     1.400     1.400 peak   862 weight  0.10000E+01 volume  0.64110E-03 ppm1      5.238 ppm2      1.331 CV     1
 ASSI {  864}
   ((resid 87   and name HA  ))
   ( resid 66   and name HG2%)
      3.900     1.900     1.900 peak   864 weight  0.10000E+01 volume  0.28498E-03 ppm1      5.238 ppm2      0.609 CV     1
 ASSI {  867}
   ((resid 87   and name HA  ))
   ((resid 67   and name HB  ))
      3.800     1.800     1.800 peak   867 weight  0.10000E+01 volume  0.31158E-03 ppm1      5.241 ppm2      1.557 CV     1
 ASSI {  870}
   ((resid 65   and name HB3 ))
   ((resid 65   and name HA  ))
      2.500     0.800     0.800 peak   870 weight  0.10000E+01 volume  0.43513E-02 ppm1      1.389 ppm2      5.185 CV     1
 ASSI {  871}
   ((resid 65   and name HB3 ))
   ((resid 65   and name HB2 ))
      1.800     0.400     0.400 peak   871 weight  0.10000E+01 volume  0.32565E-01 ppm1      1.389 ppm2      1.672 CV     1
 ASSI {  873}
   ((resid 65   and name HB3 ))
   ( resid 65   and name HD2%)
      2.700     0.900     0.900 peak   873 weight  0.10000E+01 volume  0.28498E-02 ppm1      1.393 ppm2      0.835 CV     1
 ASSI {  874}
   ((resid 65   and name HB3 ))
   ( resid 65   and name HD1%)
      2.400     0.700     0.700 peak   874 weight  0.10000E+01 volume  0.51476E-02 ppm1      1.390 ppm2      0.768 CV     1
 ASSI {  875}
   ((resid 65   and name HB3 ))
   ((resid 65   and name HG  ))
      2.000     0.500     0.500 peak   875 weight  0.10000E+01 volume  0.15285E-01 ppm1      1.390 ppm2      1.515 CV     1
 ASSI {  878}
   ((resid 116  and name HA  ))
   ((resid 116  and name HN  ))
      3.600     1.600     1.600 peak   878 weight  0.10000E+01 volume  0.48244E-03 ppm1      5.251 ppm2      7.017 CV     1
 ASSI {  887}
   ((resid 116  and name HA  ))
   ((resid 66   and name HB  ))
      3.700     1.700     1.700 peak   887 weight  0.10000E+01 volume  0.40049E-03 ppm1      5.249 ppm2      2.018 CV     1
 ASSI {  888}
   ((resid 116  and name HA  ))
   ( resid 68   and name HB% )
      3.800     1.800     1.800 peak   888 weight  0.10000E+01 volume  0.34761E-03 ppm1      5.253 ppm2      1.679 CV     1
 ASSI {  892}
   ((resid 111  and name HA  ))
   ((resid 111  and name HN  ))
      2.800     1.000     1.000 peak   892 weight  0.10000E+01 volume  0.20875E-02 ppm1      5.186 ppm2      9.573 CV     1
 ASSI {  893}
   ((resid 111  and name HA  ))
   ((resid 80   and name HN  ))
      4.300     2.300     1.700 peak   893 weight  0.10000E+01 volume  0.16716E-03 ppm1      5.186 ppm2      9.100 CV     1
 ASSI {  894}
   ((resid 111  and name HA  ))
   ( resid 82   and name HE% )
      2.900     1.100     1.100 peak   894 weight  0.10000E+01 volume  0.16190E-02 ppm1      5.187 ppm2      7.478 CV     1
 ASSI {  895}
   ((resid 111  and name HA  ))
   ((resid 97   and name HE3 ))
      3.400     1.400     1.400 peak   895 weight  0.10000E+01 volume  0.63924E-03 ppm1      5.187 ppm2      7.149 CV     1
 ASSI {  896}
   ((resid 111  and name HA  ))
   ( resid 72  and name HD% )
      6.0     1.600     1.600 peak   896 weight  0.10000E+01 volume  0.51801E-03 ppm1      5.187 ppm2      7.062 CV     1
 ASSI {  897}
   ((resid 111  and name HA  ))
   ((resid 97   and name HZ3 ))
      2.800     1.000     1.000 peak   897 weight  0.10000E+01 volume  0.20875E-02 ppm1      5.187 ppm2      6.733 CV     1
 ASSI {  899}
   ((resid 111  and name HA  ))
   ((resid 112  and name HD2 ))
      1.900     0.500     0.500 peak   899 weight  0.10000E+01 volume  0.18463E-01 ppm1      5.186 ppm2      2.798 CV     1
 ASSI {  900}
   ((resid 111  and name HA  ))
   ((resid 111  and name HB  ))
      2.200     0.600     0.600 peak   900 weight  0.10000E+01 volume  0.77964E-02 ppm1      5.186 ppm2      1.660 CV     1
 ASSI {  901}
   ((resid 111  and name HA  ))
   ((resid 111  and name HG13))
      3.100     1.200     1.200 peak   901 weight  0.10000E+01 volume  0.10283E-02 ppm1      5.186 ppm2      1.397 CV     1
 ASSI {  902}
   ((resid 111  and name HA  ))
   ( resid 111  and name HG2%)
      2.300     0.600     0.600 peak   902 weight  0.10000E+01 volume  0.76881E-02 ppm1      5.185 ppm2      1.112 CV     1
 ASSI {  904}
   ((resid 111  and name HA  ))
   ((resid 111  and name HG12))
      3.100     1.200     1.200 peak   904 weight  0.10000E+01 volume  0.10237E-02 ppm1      5.187 ppm2      1.006 CV     1
 ASSI {  905}
   ((resid 111  and name HA  ))
   ((resid 112  and name HG3 ))
      3.100     1.200     1.200 peak   905 weight  0.10000E+01 volume  0.11898E-02 ppm1      5.187 ppm2      0.598 CV     1
 ASSI {  917}
   ((resid 88   and name HA  ))
   ((resid 103  and name HN  ))
      2.600     0.900     0.900 peak   917 weight  0.10000E+01 volume  0.31328E-02 ppm1      5.035 ppm2      8.867 CV     1
 ASSI {  918}
   ((resid 88   and name HA  ))
   ((resid 101  and name HN  ))
      3.100     1.200     1.200 peak   918 weight  0.10000E+01 volume  0.12217E-02 ppm1      5.033 ppm2      8.975 CV     1
 ASSI {  920}
   ((resid 88   and name HA  ))
   ( resid 88   and name HD1%)
      3.700     1.700     1.700 peak   920 weight  0.10000E+01 volume  0.38935E-03 ppm1      5.032 ppm2      0.045 CV     1
 ASSI {  921}
   ((resid 88   and name HA  ))
   ( resid 88   and name HD2%)
      2.400     0.700     0.700 peak   921 weight  0.10000E+01 volume  0.58497E-02 ppm1      5.033 ppm2      0.628 CV     1
 ASSI {  922}
   ((resid 88   and name HA  ))
   ( resid 103  and name HD1%)
      2.900     1.000     1.000 peak   922 weight  0.10000E+01 volume  0.18107E-02 ppm1      5.035 ppm2      0.826 CV     1
 ASSI {  923}
   ((resid 88   and name HA  ))
   ((resid 88   and name HB3 ))
      2.200     0.600     0.600 peak   923 weight  0.10000E+01 volume  0.87876E-02 ppm1      5.033 ppm2      1.099 CV     1
 ASSI {  924}
   ((resid 88   and name HA  ))
   ((resid 88   and name HB2 ))
      3.000     1.100     1.100 peak   924 weight  0.10000E+01 volume  0.14847E-02 ppm1      5.033 ppm2      1.178 CV     1
 ASSI {  925}
   ((resid 88   and name HA  ))
   ((resid 88   and name HG  ))
      2.900     1.000     1.000 peak   925 weight  0.10000E+01 volume  0.17828E-02 ppm1      5.036 ppm2      1.323 CV     1
 ASSI {  926}
   ((resid 88   and name HA  ))
   ((resid 103  and name HG  ))
      3.100     1.200     1.200 peak   926 weight  0.10000E+01 volume  0.11579E-02 ppm1      5.035 ppm2      1.699 CV     1
 ASSI {  928}
   ((resid 89   and name HA  ))
   ((resid 89   and name HN  ))
      2.800     1.000     1.000 peak   928 weight  0.10000E+01 volume  0.22298E-02 ppm1      4.994 ppm2      8.756 CV     1
 ASSI {  929}
   ((resid 89   and name HA  ))
   ((resid 65   and name HA  ))
      2.300     0.700     0.700 peak   929 weight  0.10000E+01 volume  0.68099E-02 ppm1      4.996 ppm2      5.190 CV     1
 ASSI {  931}
   ((resid 89   and name HA  ))
   ( resid 65   and name HD1%)
      2.300     0.600     0.600 peak   931 weight  0.10000E+01 volume  0.71655E-02 ppm1      4.994 ppm2      0.773 CV     1
 ASSI {  932}
   ((resid 89   and name HA  ))
   ((resid 89   and name HG2 ))
      2.800     1.000     1.000 peak   932 weight  0.10000E+01 volume  0.20256E-02 ppm1      4.996 ppm2      1.278 CV     1
 ASSI {  933}
   ((resid 89   and name HA  ))
   ((resid 89   and name HG3 ))
      2.600     0.900     0.900 peak   933 weight  0.10000E+01 volume  0.29179E-02 ppm1      4.996 ppm2      1.449 CV     1
 ASSI {  934}
   ((resid 89   and name HA  ))
   ((resid 89   and name HB2 ))
      2.700     0.900     0.900 peak   934 weight  0.10000E+01 volume  0.25792E-02 ppm1      4.994 ppm2      1.584 CV     1
 ASSI {  935}
   ((resid 89   and name HA  ))
   ((resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   935 weight  0.10000E+01 volume  0.30122E-02 ppm1      4.994 ppm2      1.652 CV     1
 ASSI {  936}
   ((resid 89   and name HA  ))
   ( resid 66   and name HG2%)
      3.400     1.500     1.500 peak   936 weight  0.10000E+01 volume  0.59919E-03 ppm1      4.993 ppm2      0.581 CV     1
 ASSI {  937}
   ((resid 89   and name HA  ))
   ((resid 66   and name HN  ))
      2.700     0.900     0.900 peak   937 weight  0.10000E+01 volume  0.24447E-02 ppm1      4.993 ppm2      9.048 CV     1
 ASSI {  940}
   ((resid 82   and name HA  ))
   ( resid 82   and name HD% )
      3.100     1.200     1.200 peak   940 weight  0.10000E+01 volume  0.11197E-02 ppm1      5.030 ppm2      6.978 CV     1
 ASSI {  942}
   ((resid 82   and name HA  ))
   ((resid 82   and name HB3 ))
      2.100     0.600     0.600 peak   942 weight  0.10000E+01 volume  0.11457E-01 ppm1      5.026 ppm2      3.271 CV     1
 ASSI {  943}
   ((resid 82   and name HA  ))
   ((resid 82   and name HB2 ))
      2.200     0.600     0.600 peak   943 weight  0.10000E+01 volume  0.89731E-02 ppm1      5.028 ppm2      2.895 CV     1
 ASSI {  944}
   ((resid 82   and name HA  ))
   ((resid 86   and name HG3 ))
      3.100     1.200     1.200 peak   944 weight  0.10000E+01 volume  0.10453E-02 ppm1      5.026 ppm2      2.369 CV     1
 ASSI {  945}
   ((resid 82   and name HA  ))
   ((resid 86   and name HB2 ))
      3.700     1.700     1.700 peak   945 weight  0.10000E+01 volume  0.40946E-03 ppm1      5.028 ppm2      2.113 CV     1
 ASSI {  946}
   ((resid 82   and name HA  ))
   ( resid 88   and name HD2%)
      3.600     1.600     1.600 peak   946 weight  0.10000E+01 volume  0.46018E-03 ppm1      5.017 ppm2      0.640 CV     1
 ASSI {  952}
   ((resid 66   and name HA  ))
   ((resid 118  and name HA  ))
      2.900     1.100     1.100 peak   952 weight  0.10000E+01 volume  0.16190E-02 ppm1      4.935 ppm2      4.266 CV     1
 ASSI {  953}
   ((resid 66   and name HA  ))
   ((resid 66   and name HB  ))
      2.400     0.700     0.700 peak   953 weight  0.10000E+01 volume  0.55914E-02 ppm1      4.939 ppm2      2.013 CV     1
 ASSI {  954}
   ((resid 66   and name HA  ))
   ( resid 66   and name HG1%)
      2.400     0.700     0.700 peak   954 weight  0.10000E+01 volume  0.57445E-02 ppm1      4.939 ppm2      0.785 CV     1
 ASSI {  955}
   ((resid 66   and name HA  ))
   ( resid 66   and name HG2%)
      3.200     1.200     1.200 peak   955 weight  0.10000E+01 volume  0.10055E-02 ppm1      4.942 ppm2      0.585 CV     1
 ASSI {  956}
   ((resid 67   and name HA  ))
   ((resid 67   and name HN  ))
      3.200     1.300     1.300 peak   956 weight  0.10000E+01 volume  0.90056E-03 ppm1      4.910 ppm2      8.973 CV     1
 ASSI {  959}
   ((resid 67   and name HA  ))
   ((resid 87   and name HA  ))
      2.500     0.800     0.800 peak   959 weight  0.10000E+01 volume  0.38689E-02 ppm1      4.909 ppm2      5.238 CV     1
 ASSI {  961}
   ((resid 67   and name HA  ))
   ( resid 67   and name HG2%)
      2.700     0.900     0.900 peak   961 weight  0.10000E+01 volume  0.25684E-02 ppm1      4.907 ppm2      0.778 CV     1
 ASSI {  962}
   ((resid 67   and name HA  ))
   ((resid 67   and name HG12))
      3.600     1.600     1.600 peak   962 weight  0.10000E+01 volume  0.49667E-03 ppm1      4.905 ppm2      1.038 CV     1
 ASSI {  963}
   ((resid 67   and name HA  ))
   ((resid 67   and name HG13))
      3.000     1.100     1.100 peak   963 weight  0.10000E+01 volume  0.13399E-02 ppm1      4.905 ppm2      1.342 CV     1
 ASSI {  964}
   ((resid 67   and name HA  ))
   ((resid 67   and name HB  ))
      2.900     1.000     1.000 peak   964 weight  0.10000E+01 volume  0.17041E-02 ppm1      4.907 ppm2      1.561 CV     1
 ASSI {  965}
   ((resid 67   and name HA  ))
   ( resid 68   and name HB% )
      3.200     1.300     1.300 peak   965 weight  0.10000E+01 volume  0.85494E-03 ppm1      4.905 ppm2      1.674 CV     1
 ASSI {  966}
   ((resid 67   and name HA  ))
   ((resid 87   and name HB2 ))
      4.000     2.000     2.000 peak   966 weight  0.10000E+01 volume  0.23303E-03 ppm1      4.909 ppm2      1.987 CV     1
 ASSI {  967}
   ((resid 67   and name HA  ))
   ((resid 87   and name HG2 ))
      3.900     1.900     1.900 peak   967 weight  0.10000E+01 volume  0.28823E-03 ppm1      4.905 ppm2      2.102 CV     1
 ASSI {  970}
   ((resid 73   and name HA  ))
   ((resid 74   and name HD2 ))
      2.100     0.500     0.500 peak   970 weight  0.10000E+01 volume  0.11849E-01 ppm1      4.515 ppm2      3.536 CV     1
 ASSI {  972}
   ((resid 73   and name HA  ))
   ((resid 73   and name HB3 ))
      2.700     0.900     0.900 peak   972 weight  0.10000E+01 volume  0.25870E-02 ppm1      4.514 ppm2      1.707 CV     1
 ASSI {  973}
   ((resid 73   and name HA  ))
   ((resid 73   and name HG3 ))
      2.800     1.000     1.000 peak   973 weight  0.10000E+01 volume  0.21756E-02 ppm1      4.514 ppm2      2.042 CV     1
 ASSI {  976}
   ((resid 68   and name HA  ))
   ((resid 70   and name HN  ))
      3.300     1.300     1.300 peak   976 weight  0.10000E+01 volume  0.82309E-03 ppm1      4.552 ppm2      7.509 CV     1
 ASSI {  977}
   ((resid 68   and name HA  ))
   ((resid 116  and name HA  ))
      2.900     1.000     1.000 peak   977 weight  0.10000E+01 volume  0.17736E-02 ppm1      4.552 ppm2      5.241 CV     1
 ASSI {  979}
   ((resid 68   and name HA  ))
   ( resid 68   and name HB% )
      2.400     0.700     0.700 peak   979 weight  0.10000E+01 volume  0.53533E-02 ppm1      4.550 ppm2      1.672 CV     1
 ASSI {  981}
   ((resid 119  and name HA  ))
   ((resid 67   and name HN  ))
      4.100     2.100     1.900 peak   981 weight  0.10000E+01 volume  0.21463E-03 ppm1      4.272 ppm2      8.978 CV     1
 ASSI {  982}
   ((resid 119  and name HA  ))
   ((resid 119  and name HN  ))
      2.600     0.900     0.900 peak   982 weight  0.10000E+01 volume  0.29999E-02 ppm1      4.274 ppm2      8.358 CV     1
 ASSI {  987}
   ((resid 119  and name HA  ))
   ( resid 119  and name HB% )
      2.500     0.800     0.800 peak   987 weight  0.10000E+01 volume  0.42631E-02 ppm1      4.274 ppm2      1.248 CV     1
 ASSI {  989}
   ((resid 119  and name HA  ))
   ( resid 67   and name HG2%)
      2.600     0.800     0.800 peak   989 weight  0.10000E+01 volume  0.31746E-02 ppm1      4.272 ppm2      0.783 CV     1
 ASSI {  994}
   ((resid 114  and name HA  ))
   ((resid 114  and name HN  ))
      2.400     0.700     0.700 peak   994 weight  0.10000E+01 volume  0.46590E-02 ppm1      3.993 ppm2      7.217 CV     1
 ASSI {  995}
   ((resid 114  and name HA  ))
   ((resid 115  and name HN  ))
      2.900     1.000     1.000 peak   995 weight  0.10000E+01 volume  0.17705E-02 ppm1      3.989 ppm2      7.646 CV     1
 ASSI {  996}
   ((resid 114  and name HA  ))
   ((resid 116  and name HN  ))
      3.000     1.100     1.100 peak   996 weight  0.10000E+01 volume  0.15086E-02 ppm1      3.993 ppm2      7.018 CV     1
 ASSI {  997}
   ((resid 114  and name HA  ))
   ( resid 113  and name HD% )
      3.500     1.600     1.600 peak   997 weight  0.10000E+01 volume  0.50363E-03 ppm1      3.991 ppm2      6.905 CV     1
 ASSI {  998}
   ((resid 114  and name HA  ))
   ((resid 114  and name HD22))
      5.300     3.500     0.700 peak   998 weight  0.10000E+01 volume  0.44069E-04 ppm1      3.987 ppm2      6.506 CV     1
 ASSI {  999}
   ((resid 114  and name HA  ))
   ( resid 116  and name HG2%)
      3.400     1.400     1.400 peak   999 weight  0.10000E+01 volume  0.64326E-03 ppm1      3.990 ppm2      0.679 CV     1
 ASSI { 1000}
   ((resid 114  and name HA  ))
   ((resid 114  and name HB2 ))
      2.100     0.600     0.600 peak  1000 weight  0.10000E+01 volume  0.10272E-01 ppm1      3.989 ppm2      1.425 CV     1
 ASSI { 1001}
   ((resid 114  and name HA  ))
   ((resid 114  and name HB3 ))
      2.100     0.600     0.600 peak  1001 weight  0.10000E+01 volume  0.11602E-01 ppm1      3.990 ppm2      2.511 CV     1
 ASSI { 1004}
   ((resid 93   and name HA  ))
   ((resid 98   and name HE1 ))
      3.600     1.600     1.600 peak  1004 weight  0.10000E+01 volume  0.46466E-03 ppm1      3.592 ppm2      9.521 CV     1
 ASSI { 1005}
   ((resid 93   and name HA  ))
   ((resid 99   and name HN  ))
      3.400     1.500     1.500 peak  1005 weight  0.10000E+01 volume  0.59594E-03 ppm1      3.593 ppm2      8.713 CV     1
 ASSI { 1008}
   ((resid 93   and name HA  ))
   ((resid 98   and name HE3 ))
      3.800     1.800     1.800 peak  1008 weight  0.10000E+01 volume  0.31003E-03 ppm1      3.590 ppm2      7.217 CV     1
 ASSI { 1009}
   ((resid 93   and name HA  ))
   ((resid 98   and name HD1 ))
      2.700     0.900     0.900 peak  1009 weight  0.10000E+01 volume  0.26164E-02 ppm1      3.590 ppm2      6.879 CV     1
 ASSI { 1011}
   ((resid 93   and name HA  ))
   ((resid 98   and name HB3 ))
      3.200     1.300     1.300 peak  1011 weight  0.10000E+01 volume  0.97324E-03 ppm1      3.589 ppm2      3.324 CV     1
 ASSI { 1014}
   ((resid 93   and name HA  ))
   ((resid 92   and name HA  ))
      3.700     1.700     1.700 peak  1014 weight  0.10000E+01 volume  0.38225E-03 ppm1      3.586 ppm2      4.289 CV     1
 ASSI { 1015}
   ((resid 93   and name HA  ))
   ( resid 90   and name HG2%)
      3.000     1.100     1.100 peak  1015 weight  0.10000E+01 volume  0.13108E-02 ppm1      3.591 ppm2      0.546 CV     1
 ASSI { 1016}
   ((resid 93   and name HA  ))
   ((resid 93   and name HG3 ))
      2.700     0.900     0.900 peak  1016 weight  0.10000E+01 volume  0.27911E-02 ppm1      3.591 ppm2      0.796 CV     1
 ASSI { 1017}
   ((resid 93   and name HA  ))
   ((resid 93   and name HB2 ))
      2.300     0.600     0.600 peak  1017 weight  0.10000E+01 volume  0.71362E-02 ppm1      3.590 ppm2      0.962 CV     1
 ASSI { 1018}
   ((resid 93   and name HA  ))
   ((resid 93   and name HB3 ))
      2.500     0.800     0.800 peak  1018 weight  0.10000E+01 volume  0.42539E-02 ppm1      3.593 ppm2      1.142 CV     1
 ASSI { 1019}
   ((resid 96   and name HA  ))
   ((resid 98   and name HE1 ))
      3.200     1.300     1.300 peak  1019 weight  0.10000E+01 volume  0.86221E-03 ppm1      3.786 ppm2      9.516 CV     1
 ASSI { 1020}
   ((resid 96   and name HA  ))
   ((resid 96   and name HN  ))
      3.100     1.200     1.200 peak  1020 weight  0.10000E+01 volume  0.11229E-02 ppm1      3.786 ppm2      8.630 CV     1
 ASSI { 1022}
   ((resid 96   and name HA  ))
   ((resid 113  and name HN  ))
      3.600     1.600     1.600 peak  1022 weight  0.10000E+01 volume  0.45430E-03 ppm1      3.786 ppm2      7.532 CV     1
 ASSI { 1024}
   ((resid 96   and name HA  ))
   ( resid 113  and name HD% )
      2.400     0.700     0.700 peak  1024 weight  0.10000E+01 volume  0.46868E-02 ppm1      3.788 ppm2      6.895 CV     1
 ASSI { 1025}
   ((resid 96   and name HA  ))
   ((resid 113  and name HB2 ))
      3.400     1.400     1.400 peak  1025 weight  0.10000E+01 volume  0.64403E-03 ppm1      3.789 ppm2      1.067 CV     1
 ASSI { 1026}
   ((resid 96   and name HA  ))
   ((resid 113  and name HB3 ))
      2.800     1.000     1.000 peak  1026 weight  0.10000E+01 volume  0.20767E-02 ppm1      3.789 ppm2      1.484 CV     1
 ASSI { 1027}
   ((resid 96   and name HA  ))
   ((resid 96   and name HB3 ))
      2.400     0.700     0.700 peak  1027 weight  0.10000E+01 volume  0.57121E-02 ppm1      3.789 ppm2      1.709 CV     1
 ASSI { 1028}
   ((resid 96   and name HA  ))
   ((resid 96   and name HG3 ))
      2.200     0.600     0.600 peak  1028 weight  0.10000E+01 volume  0.92808E-02 ppm1      3.787 ppm2      1.842 CV     1
 ASSI { 1029}
   ((resid 96   and name HA  ))
   ((resid 96   and name HG2 ))
      2.600     0.900     0.900 peak  1029 weight  0.10000E+01 volume  0.31606E-02 ppm1      3.789 ppm2      1.959 CV     1
 ASSI { 1031}
   ((resid 112  and name HA  ))
   ((resid 98   and name HN  ))
      3.900     1.900     1.900 peak  1031 weight  0.10000E+01 volume  0.29859E-03 ppm1      3.660 ppm2      9.010 CV     1
 ASSI { 1032}
   ((resid 112  and name HA  ))
   ((resid 113  and name HN  ))
      2.000     0.500     0.500 peak  1032 weight  0.10000E+01 volume  0.13614E-01 ppm1      3.660 ppm2      7.532 CV     1
 ASSI { 1033}
   ((resid 112  and name HA  ))
   ((resid 114  and name HN  ))
      3.300     1.400     1.400 peak  1033 weight  0.10000E+01 volume  0.72196E-03 ppm1      3.660 ppm2      7.228 CV     1
 ASSI { 1034}
   ((resid 112  and name HA  ))
   ((resid 97   and name HE3 ))
      3.400     1.500     1.500 peak  1034 weight  0.10000E+01 volume  0.61712E-03 ppm1      3.662 ppm2      7.152 CV     1
 ASSI { 1035}
   ((resid 112  and name HA  ))
   ( resid 113  and name HD% )
      4.000     2.000     2.000 peak  1035 weight  0.10000E+01 volume  0.26102E-03 ppm1      3.660 ppm2      6.907 CV     1
 ASSI { 1036}
   ((resid 112  and name HA  ))
   ((resid 97   and name HZ3 ))
      3.900     1.900     1.900 peak  1036 weight  0.10000E+01 volume  0.27709E-03 ppm1      3.658 ppm2      6.746 CV     1
 ASSI { 1041}
   ((resid 112  and name HA  ))
   ((resid 112  and name HG3 ))
      2.900     1.000     1.000 peak  1041 weight  0.10000E+01 volume  0.18308E-02 ppm1      3.661 ppm2      0.592 CV     1
 ASSI { 1042}
   ((resid 112  and name HA  ))
   ((resid 112  and name HB3 ))
      2.400     0.700     0.700 peak  1042 weight  0.10000E+01 volume  0.49049E-02 ppm1      3.661 ppm2      1.107 CV     1
 ASSI { 1043}
   ((resid 112  and name HA  ))
   ((resid 112  and name HB2 ))
      2.800     1.000     1.000 peak  1043 weight  0.10000E+01 volume  0.21571E-02 ppm1      3.664 ppm2      1.219 CV     1
 ASSI { 1044}
   ((resid 112  and name HA  ))
   ((resid 113  and name HB3 ))
      3.600     1.600     1.600 peak  1044 weight  0.10000E+01 volume  0.49651E-03 ppm1      3.661 ppm2      1.478 CV     1
 ASSI { 1046}
   ((resid 84   and name HA  ))
   ((resid 68   and name HN  ))
      5.800     2.200     1.000 peak  1046 weight  0.10000E+01 volume  0.18942E-03 ppm1      3.362 ppm2      8.536 CV     1
 ASSI { 1049}
   ((resid 84   and name HA  ))
   ((resid 70   and name HN  ))
      3.400     1.400     1.400 peak  1049 weight  0.10000E+01 volume  0.70496E-03 ppm1      3.362 ppm2      7.515 CV     1
 ASSI { 1050}
   ((resid 84   and name HA  ))
   ( resid 82   and name HD% )
      4.100     2.100     1.900 peak  1050 weight  0.10000E+01 volume  0.21679E-03 ppm1      3.364 ppm2      6.975 CV     1
 ASSI { 1051}
   ((resid 84   and name HA  ))
   ( resid 67   and name HG2%)
      4.000     2.000     2.000 peak  1051 weight  0.10000E+01 volume  0.22993E-03 ppm1      3.365 ppm2      0.776 CV     1
 ASSI { 1052}
   ((resid 84   and name HA  ))
   ((resid 84   and name HG2 ))
      2.400     0.700     0.700 peak  1052 weight  0.10000E+01 volume  0.49822E-02 ppm1      3.363 ppm2      1.074 CV     1
 ASSI { 1053}
   ((resid 84   and name HA  ))
   ((resid 84   and name HG3 ))
      2.600     0.900     0.900 peak  1053 weight  0.10000E+01 volume  0.30755E-02 ppm1      3.367 ppm2      1.187 CV     1
 ASSI { 1054}
   ((resid 84   and name HA  ))
   ((resid 84   and name HB2 ))
      2.100     0.600     0.600 peak  1054 weight  0.10000E+01 volume  0.10622E-01 ppm1      3.363 ppm2      1.650 CV     1
 ASSI { 1056}
   ((resid 84   and name HA  ))
   ((resid 69   and name HA  ))
      3.800     1.800     1.800 peak  1056 weight  0.10000E+01 volume  0.31436E-03 ppm1      3.363 ppm2      4.074 CV     1
ASSI { 1058}
   ((resid 84   and name HA  ))
   ((resid 85   and name HA1 ))
      3.800     1.800     1.800 peak  1058 weight  0.10000E+01 volume  0.35797E-03 ppm1      3.365 ppm2      4.357 CV     1
 ASSI { 1059}
   ((resid 113  and name HA  ))
   ((resid 98   and name HE1 ))
      4.000     2.000     2.000 peak  1059 weight  0.10000E+01 volume  0.24493E-03 ppm1      2.835 ppm2      9.516 CV     1
 ASSI { 1060}
   ((resid 113  and name HA  ))
   ((resid 98   and name HN  ))
      4.300     2.300     1.700 peak  1060 weight  0.10000E+01 volume  0.16437E-03 ppm1      2.838 ppm2      9.018 CV     1
 ASSI { 1061}
   ((resid 113  and name HA  ))
   ((resid 115  and name HN  ))
      3.400     1.500     1.500 peak  1061 weight  0.10000E+01 volume  0.62378E-03 ppm1      2.838 ppm2      7.638 CV     1
 ASSI { 1062}
   ((resid 113  and name HA  ))
   ((resid 113  and name HN  ))
      2.600     0.800     0.800 peak  1062 weight  0.10000E+01 volume  0.35225E-02 ppm1      2.838 ppm2      7.537 CV     1
 ASSI { 1063}
   ((resid 113  and name HA  ))
   ((resid 114  and name HN  ))
      3.100     1.200     1.200 peak  1063 weight  0.10000E+01 volume  0.10221E-02 ppm1      2.838 ppm2      7.211 CV     1
 ASSI { 1064}
   ((resid 113  and name HA  ))
   ((resid 116  and name HN  ))
      4.100     2.100     1.900 peak  1064 weight  0.10000E+01 volume  0.21509E-03 ppm1      2.838 ppm2      7.001 CV     1
 ASSI { 1065}
   ((resid 113  and name HA  ))
   ( resid 113  and name HD% )
      3.300     1.400     1.400 peak  1065 weight  0.10000E+01 volume  0.77330E-03 ppm1      2.835 ppm2      6.890 CV     1
 ASSI { 1066}
   ((resid 113  and name HA  ))
   ( resid 111  and name HD1%)
      3.900     1.900     1.900 peak  1066 weight  0.10000E+01 volume  0.27462E-03 ppm1      2.837 ppm2      0.447 CV     1
 ASSI { 1067}
   ((resid 113  and name HA  ))
   ( resid 116  and name HG2%)
      2.700     0.900     0.900 peak  1067 weight  0.10000E+01 volume  0.23983E-02 ppm1      2.839 ppm2      0.678 CV     1
 ASSI { 1068}
   ((resid 113  and name HA  ))
   ((resid 113  and name HB2 ))
      2.200     0.600     0.600 peak  1068 weight  0.10000E+01 volume  0.79712E-02 ppm1      2.837 ppm2      1.079 CV     1
 ASSI { 1069}
   ((resid 113  and name HA  ))
   ((resid 113  and name HB3 ))
      2.600     0.800     0.800 peak  1069 weight  0.10000E+01 volume  0.35054E-02 ppm1      2.839 ppm2      1.479 CV     1
 ASSI { 1071}
   ((resid 113  and name HA  ))
   ((resid 112  and name HA  ))
      3.600     1.600     1.600 peak  1071 weight  0.10000E+01 volume  0.44146E-03 ppm1      2.837 ppm2      3.647 CV     1
 ASSI { 1076}
   ((resid 104  and name HA  ))
   ((resid 104  and name HB  ))
      3.200     0.500     0.500 peak  1076 weight  0.10000E+01 volume  0.13100E-01 ppm1      4.286 ppm2      4.093 CV     1
 ASSI { 1078}
   ((resid 104  and name HA  ))
   ((resid 103  and name HB3 ))
      3.400     1.400     1.400 peak  1078 weight  0.10000E+01 volume  0.64434E-03 ppm1      4.290 ppm2      1.726 CV     1
 ASSI { 1081}
   ((resid 71   and name HB3 ))
   ((resid 72   and name HN  ))
      2.700     0.900     0.900 peak  1081 weight  0.10000E+01 volume  0.24663E-02 ppm1      4.097 ppm2      8.501 CV     1
 ASSI { 1085}
   ((resid 71   and name HB3 ))
   ((resid 71   and name HB2 ))
      1.700     0.400     0.500 peak  1085 weight  0.10000E+01 volume  0.43992E-01 ppm1      4.094 ppm2      3.903 CV     1
 ASSI { 1086}
   ((resid 71   and name HB3 ))
   ((resid 72   and name HA  ))
      3.600     1.600     1.600 peak  1086 weight  0.10000E+01 volume  0.47409E-03 ppm1      4.099 ppm2      4.626 CV     1
 ASSI { 1087}
   ((resid 71   and name HB3 ))
   ((resid 84   and name HB2 ))
      3.600     1.600     1.600 peak  1087 weight  0.10000E+01 volume  0.48708E-03 ppm1      4.100 ppm2      1.652 CV     1
 ASSI { 1088}
   ((resid 118  and name HD2 ))
   ((resid 118  and name HN  ))
      3.000     1.100     1.100 peak  1088 weight  0.10000E+01 volume  0.13357E-02 ppm1      1.557 ppm2      8.619 CV     1
 ASSI { 1089}
   ((resid 118  and name HD3 ))
   ((resid 118  and name HN  ))
      3.400     1.500     1.500 peak  1089 weight  0.10000E+01 volume  0.63367E-03 ppm1      1.605 ppm2      8.622 CV     1
 ASSI { 1090}
   ((resid 118  and name HD3 ))
   ((resid 119  and name HN  ))
      3.500     1.500     1.500 peak  1090 weight  0.10000E+01 volume  0.58079E-03 ppm1      1.603 ppm2      8.361 CV     1
 ASSI { 1091}
   ((resid 118  and name HD2 ))
   ((resid 119  and name HN  ))
      3.400     1.500     1.500 peak  1091 weight  0.10000E+01 volume  0.61497E-03 ppm1      1.558 ppm2      8.361 CV     1
 ASSI { 1092}
   ((resid 118  and name HD2 ))
   ((resid 120  and name HN  ))
      4.300     2.300     1.700 peak  1092 weight  0.10000E+01 volume  0.16576E-03 ppm1      1.558 ppm2      7.913 CV     1
 ASSI { 1093}
   ((resid 118  and name HD3 ))
   ((resid 120  and name HN  ))
      4.000     2.000     2.000 peak  1093 weight  0.10000E+01 volume  0.24323E-03 ppm1      1.603 ppm2      7.916 CV     1
 ASSI { 1094}
   ((resid 118  and name HD2 ))
   ((resid 118  and name HE2 ))
      2.900     1.100     1.100 peak  1094 weight  0.10000E+01 volume  0.15710E-02 ppm1      1.560 ppm2      3.034 CV     1
 OR { 1094}
   ((resid 118  and name HD2 ))
   ((resid 118  and name HE3 ))
 ASSI { 1096}
   ((resid 118  and name HD3 ))
   ((resid 118  and name HA  ))
      2.900     1.100     1.100 peak  1096 weight  0.10000E+01 volume  0.16360E-02 ppm1      1.603 ppm2      4.261 CV     1
 ASSI { 1097}
   ((resid 118  and name HD3 ))
   ((resid 118  and name HE3 ))
      3.000     1.100     1.100 peak  1097 weight  0.10000E+01 volume  0.12978E-02 ppm1      1.604 ppm2      3.034 CV     1
 OR { 1097}
   ((resid 118  and name HD3 ))
   ((resid 118  and name HE2 ))
 ASSI { 1099}
   ((resid 118  and name HD3 ))
   ((resid 118  and name HD2 ))
      1.700     0.300     0.500 peak  1099 weight  0.10000E+01 volume  0.47719E-01 ppm1      1.615 ppm2      1.563 CV     1
 ASSI { 1100}
   ((resid 118  and name HD3 ))
   ((resid 118  and name HG3 ))
      3.100     1.600     0.600 peak  1100 weight  0.10000E+01 volume  0.10221E-01 ppm1      1.614 ppm2      1.747 CV     1
 ASSI { 1104}
   ((resid 118  and name HG3 ))
   ((resid 118  and name HN  ))
      3.600     1.600     1.600 peak  1104 weight  0.10000E+01 volume  0.49682E-03 ppm1      1.754 ppm2      8.619 CV     1
 ASSI { 1105}
   ((resid 118  and name HG3 ))
   ((resid 119  and name HN  ))
      3.700     1.800     1.800 peak  1105 weight  0.10000E+01 volume  0.36291E-03 ppm1      1.755 ppm2      8.360 CV     1
 ASSI { 1106}
   ((resid 118  and name HG3 ))
   ((resid 118  and name HA  ))
      3.000     1.100     1.100 peak  1106 weight  0.10000E+01 volume  0.13745E-02 ppm1      1.753 ppm2      4.260 CV     1
 ASSI { 1107}
   ((resid 118  and name HG3 ))
   ((resid 118  and name HE2 ))
      2.300     0.700     0.700 peak  1107 weight  0.10000E+01 volume  0.61249E-02 ppm1      1.753 ppm2      3.033 CV     1
 OR { 1107}
   ((resid 118  and name HG3 ))
   ((resid 118  and name HE3 ))
 ASSI { 1111}
   ((resid 118  and name HB2 ))
   ((resid 118  and name HN  ))
      2.400     0.700     0.700 peak  1111 weight  0.10000E+01 volume  0.57600E-02 ppm1      1.901 ppm2      8.618 CV     1
 ASSI { 1112}
   ((resid 118  and name HB3 ))
   ((resid 118  and name HN  ))
      3.400     0.700     0.700 peak  1112 weight  0.10000E+01 volume  0.56424E-02 ppm1      1.827 ppm2      8.625 CV     1
 ASSI { 1117}
   ((resid 118  and name HB3 ))
   ((resid 118  and name HE2 ))
      3.800     1.800     1.800 peak  1117 weight  0.10000E+01 volume  0.31096E-03 ppm1      1.823 ppm2      3.031 CV     1
 OR { 1117}
   ((resid 118  and name HB3 ))
   ((resid 118  and name HE3 ))
 ASSI { 1118}
   ((resid 118  and name HB2 ))
   ((resid 118  and name HE3 ))
      4.000     2.000     2.000 peak  1118 weight  0.10000E+01 volume  0.22715E-03 ppm1      1.902 ppm2      3.032 CV     1
 OR { 1118}
   ((resid 118  and name HB2 ))
   ((resid 118  and name HE2 ))
 ASSI { 1119}
   ((resid 118  and name HB3 ))
   ( resid 66   and name HG1%)
      3.500     1.500     1.500 peak  1119 weight  0.10000E+01 volume  0.55945E-03 ppm1      1.827 ppm2      0.782 CV     1
 ASSI { 1120}
   ((resid 118  and name HB2 ))
   ( resid 66   and name HG1%)
      3.400     1.400     1.400 peak  1120 weight  0.10000E+01 volume  0.68424E-03 ppm1      1.898 ppm2      0.790 CV     1
 ASSI { 1122}
   ((resid 118  and name HA  ))
   ((resid 118  and name HN  ))
      2.500     0.800     0.800 peak  1122 weight  0.10000E+01 volume  0.44502E-02 ppm1      4.269 ppm2      8.609 CV     1
 ASSI { 1127}
   ((resid 118  and name HA  ))
   ( resid 66   and name HG1%)
      2.200     0.600     0.600 peak  1127 weight  0.10000E+01 volume  0.94309E-02 ppm1      4.270 ppm2      0.780 CV     1
 ASSI { 1128}
   ((resid 118  and name HA  ))
   ( resid 119  and name HB% )
      4.800     1.200     1.200 peak  1128 weight  0.10000E+01 volume  0.11671E-02 ppm1      4.266 ppm2      1.245 CV     1
 ASSI { 1130}
   ((resid 118  and name HA  ))
   ((resid 118  and name HD2 ))
      2.500     0.800     0.800 peak  1130 weight  0.10000E+01 volume  0.38256E-02 ppm1      4.269 ppm2      1.570 CV     1
 ASSI { 1131}
   ((resid 118  and name HA  ))
   ((resid 118  and name HB3 ))
      2.300     0.600     0.600 peak  1131 weight  0.10000E+01 volume  0.71872E-02 ppm1      4.269 ppm2      1.820 CV     1
 ASSI { 1132}
   ((resid 118  and name HA  ))
   ((resid 118  and name HB2 ))
      2.400     0.700     0.700 peak  1132 weight  0.10000E+01 volume  0.49884E-02 ppm1      4.269 ppm2      1.891 CV     1
 ASSI { 1133}
   ((resid 118  and name HA  ))
   ((resid 66   and name HB  ))
      3.000     1.100     1.100 peak  1133 weight  0.10000E+01 volume  0.13807E-02 ppm1      4.270 ppm2      2.003 CV     1
 ASSI { 1134}
   ((resid 118  and name HB2 ))
   ( resid 117  and name HB% )
      5.800     1.600     1.600 peak  1134 weight  0.10000E+01 volume  0.46574E-03 ppm1      1.900 ppm2      1.359 CV     1
 ASSI { 1139}
   ((resid 116  and name HB  ))
   ((resid 116  and name HA  ))
      2.800     1.000     1.000 peak  1139 weight  0.10000E+01 volume  0.19035E-02 ppm1      1.772 ppm2      5.239 CV     1
 ASSI { 1140}
   ((resid 116  and name HB  ))
   ( resid 116  and name HG1%)
      2.300     0.600     0.600 peak  1140 weight  0.10000E+01 volume  0.71918E-02 ppm1      1.772 ppm2      0.373 CV     1
 ASSI { 1141}
   ((resid 116  and name HB  ))
   ( resid 66   and name HG2%)
      2.400     0.700     0.700 peak  1141 weight  0.10000E+01 volume  0.53966E-02 ppm1      1.771 ppm2      0.589 CV     1
 ASSI { 1142}
   ((resid 116  and name HB  ))
   ( resid 116  and name HG2%)
      2.300     0.600     0.600 peak  1142 weight  0.10000E+01 volume  0.75629E-02 ppm1      1.771 ppm2      0.681 CV     1
 ASSI { 1144}
   ((resid 116  and name HB  ))
   ((resid 69   and name HG  ))
      4.500     2.500     1.500 peak  1144 weight  0.10000E+01 volume  0.12494E-03 ppm1      1.772 ppm2      1.348 CV     1
 ASSI { 1146}
   ((resid 116  and name HB  ))
   ((resid 66   and name HB  ))
      2.700     0.900     0.900 peak  1146 weight  0.10000E+01 volume  0.24973E-02 ppm1      1.771 ppm2      2.011 CV     1
 ASSI { 1147}
   ((resid 116  and name HB  ))
   ( resid 88   and name HD1%)
      4.200     2.200     1.800 peak  1147 weight  0.10000E+01 volume  0.18030E-03 ppm1      1.769 ppm2      0.042 CV     1
 ASSI { 1149}
   ((resid 115  and name HB3 ))
   ((resid 69   and name HN  ))
      4.700     2.800     1.300 peak  1149 weight  0.10000E+01 volume  0.89839E-04 ppm1      3.623 ppm2      9.444 CV     1
 ASSI { 1151}
   ((resid 115  and name HB3 ))
   ( resid 82   and name HE% )
      2.600     0.800     0.800 peak  1151 weight  0.10000E+01 volume  0.36014E-02 ppm1      3.627 ppm2      7.479 CV     1
 ASSI { 1152}
   ((resid 115  and name HB3 ))
   ( resid 115  and name HD% )
      2.400     0.700     0.700 peak  1152 weight  0.10000E+01 volume  0.48121E-02 ppm1      3.626 ppm2      7.053 CV     1
 ASSI { 1153}
   ((resid 115  and name HB3 ))
   ((resid 82   and name HZ  ))
      2.600     0.800     0.800 peak  1153 weight  0.10000E+01 volume  0.33709E-02 ppm1      3.625 ppm2      6.794 CV     1
 ASSI { 1154}
   ((resid 115  and name HB3 ))
   ((resid 115  and name HA  ))
      2.900     1.000     1.000 peak  1154 weight  0.10000E+01 volume  0.18292E-02 ppm1      3.624 ppm2      4.483 CV     1
 ASSI { 1156}
   ((resid 115  and name HB3 ))
   ((resid 115  and name HB2 ))
      2.100     0.500     0.500 peak  1156 weight  0.10000E+01 volume  0.12534E-01 ppm1      3.622 ppm2      3.235 CV     1
 ASSI { 1158}
   ((resid 115  and name HB3 ))
   ((resid 112  and name HD2 ))
      4.000     2.000     2.000 peak  1158 weight  0.10000E+01 volume  0.25375E-03 ppm1      3.622 ppm2      2.803 CV     1
 ASSI { 1159}
   ((resid 115  and name HB3 ))
   ( resid 116  and name HG1%)
      3.000     1.100     1.100 peak  1159 weight  0.10000E+01 volume  0.14721E-02 ppm1      3.626 ppm2      0.377 CV     1
 ASSI { 1160}
   ((resid 115  and name HB3 ))
   ((resid 112  and name HG2 ))
      3.000     1.100     1.100 peak  1160 weight  0.10000E+01 volume  0.13688E-02 ppm1      3.626 ppm2      0.609 CV     1
 ASSI { 1161}
   ((resid 115  and name HB3 ))
   ((resid 112  and name HB3 ))
      4.300     2.300     1.700 peak  1161 weight  0.10000E+01 volume  0.16576E-03 ppm1      3.629 ppm2      1.105 CV     1
 ASSI { 1162}
   ((resid 115  and name HB3 ))
   ((resid 112  and name HB2 ))
      4.200     2.200     1.800 peak  1162 weight  0.10000E+01 volume  0.19221E-03 ppm1      3.628 ppm2      1.218 CV     1
 ASSI { 1163}
   ((resid 115  and name HB3 ))
   ((resid 111  and name HB  ))
      3.700     1.700     1.700 peak  1163 weight  0.10000E+01 volume  0.36724E-03 ppm1      3.626 ppm2      1.664 CV     1
 ASSI { 1165}
   ((resid 115  and name HB2 ))
   ( resid 82   and name HE% )
      2.800     1.000     1.000 peak  1165 weight  0.10000E+01 volume  0.19591E-02 ppm1      3.244 ppm2      7.478 CV     1
 ASSI { 1166}
   ((resid 115  and name HB2 ))
   ( resid 115  and name HD% )
      2.600     0.800     0.800 peak  1166 weight  0.10000E+01 volume  0.33199E-02 ppm1      3.241 ppm2      7.050 CV     1
 ASSI { 1167}
   ((resid 115  and name HB2 ))
   ((resid 82   and name HZ  ))
      2.600     0.800     0.800 peak  1167 weight  0.10000E+01 volume  0.35658E-02 ppm1      3.243 ppm2      6.801 CV     1
 ASSI { 1172}
   ((resid 115  and name HB2 ))
   ((resid 112  and name HD2 ))
      2.800     1.000     1.000 peak  1172 weight  0.10000E+01 volume  0.18850E-02 ppm1      3.246 ppm2      2.803 CV     1
 ASSI { 1174}
   ((resid 115  and name HB2 ))
   ((resid 112  and name HG2 ))
      2.700     0.900     0.900 peak  1174 weight  0.10000E+01 volume  0.28390E-02 ppm1      3.245 ppm2      0.607 CV     1
 ASSI { 1175}
   ((resid 115  and name HB2 ))
   ((resid 112  and name HB3 ))
      4.000     2.000     2.000 peak  1175 weight  0.10000E+01 volume  0.22762E-03 ppm1      3.245 ppm2      1.107 CV     1
 ASSI { 1176}
   ((resid 115  and name HB2 ))
   ((resid 112  and name HB2 ))
      3.300     1.400     1.400 peak  1176 weight  0.10000E+01 volume  0.74454E-03 ppm1      3.243 ppm2      1.225 CV     1
 ASSI { 1177}
   ((resid 115  and name HB2 ))
   ((resid 111  and name HB  ))
      4.100     2.100     1.900 peak  1177 weight  0.10000E+01 volume  0.21710E-03 ppm1      3.248 ppm2      1.666 CV     1
 ASSI { 1179}
   ((resid 115  and name HA  ))
   ( resid 115  and name HD% )
      2.700     0.900     0.900 peak  1179 weight  0.10000E+01 volume  0.23318E-02 ppm1      4.496 ppm2      7.040 CV     1
 ASSI { 1180}
   ((resid 115  and name HA  ))
   ((resid 70   and name HD2 ))
      3.100     1.200     1.200 peak  1180 weight  0.10000E+01 volume  0.10721E-02 ppm1      4.496 ppm2      6.418 CV     1
 ASSI { 1183}
   ((resid 115  and name HA  ))
   ((resid 115  and name HB2 ))
      2.700     0.900     0.900 peak  1183 weight  0.10000E+01 volume  0.24463E-02 ppm1      4.496 ppm2      3.238 CV     1
 ASSI { 1184}
   ((resid 115  and name HA  ))
   ((resid 69   and name HB2 ))
      3.200     1.300     1.300 peak  1184 weight  0.10000E+01 volume  0.86314E-03 ppm1      4.492 ppm2      1.244 CV     1
 ASSI { 1185}
   ((resid 115  and name HA  ))
   ( resid 69   and name HD1%)
      5.000     1.600     1.600 peak  1185 weight  0.10000E+01 volume  0.52280E-03 ppm1      4.492 ppm2      0.656 CV     1
 ASSI { 1186}
   ((resid 114  and name HB3 ))
   ((resid 114  and name HD21))
      2.700     0.900     0.900 peak  1186 weight  0.10000E+01 volume  0.23272E-02 ppm1      2.515 ppm2      7.304 CV     1
 ASSI { 1187}
   ((resid 114  and name HB3 ))
   ((resid 114  and name HN  ))
      2.800     1.000     1.000 peak  1187 weight  0.10000E+01 volume  0.19174E-02 ppm1      2.516 ppm2      7.211 CV     1
 ASSI { 1188}
   ((resid 114  and name HB3 ))
   ((resid 114  and name HD22))
      3.000     1.100     1.100 peak  1188 weight  0.10000E+01 volume  0.14292E-02 ppm1      2.516 ppm2      6.513 CV     1
 ASSI { 1191}
   ((resid 114  and name HB3 ))
   ((resid 114  and name HB2 ))
      2.000     0.500     0.500 peak  1191 weight  0.10000E+01 volume  0.16221E-01 ppm1      2.517 ppm2      1.411 CV     1
 ASSI { 1192}
   ((resid 114  and name HB2 ))
   ((resid 114  and name HD21))
      2.900     1.000     1.000 peak  1192 weight  0.10000E+01 volume  0.18184E-02 ppm1      1.423 ppm2      7.300 CV     1
 ASSI { 1193}
   ((resid 114  and name HB2 ))
   ((resid 114  and name HN  ))
      2.700     0.900     0.900 peak  1193 weight  0.10000E+01 volume  0.28390E-02 ppm1      1.424 ppm2      7.217 CV     1
 ASSI { 1194}
   ((resid 114  and name HB2 ))
   ((resid 114  and name HD22))
      3.600     1.600     1.600 peak  1194 weight  0.10000E+01 volume  0.48322E-03 ppm1      1.424 ppm2      6.513 CV     1
 ASSI { 1201}
   ((resid 113  and name HB2 ))
   ((resid 114  and name HN  ))
      3.300     1.400     1.400 peak  1201 weight  0.10000E+01 volume  0.73000E-03 ppm1      1.082 ppm2      7.212 CV     1
 ASSI { 1202}
   ((resid 113  and name HB2 ))
   ( resid 113  and name HD% )
      2.600     0.800     0.800 peak  1202 weight  0.10000E+01 volume  0.36045E-02 ppm1      1.080 ppm2      6.900 CV     1
 ASSI { 1204}
   ((resid 113  and name HB2 ))
   ((resid 113  and name HB3 ))
      1.900     0.500     0.500 peak  1204 weight  0.10000E+01 volume  0.21261E-01 ppm1      1.079 ppm2      1.481 CV     1
 ASSI { 1208}
   ((resid 113  and name HB3 ))
   ((resid 98   and name HE1 ))
      3.500     1.500     1.500 peak  1208 weight  0.10000E+01 volume  0.55744E-03 ppm1      1.485 ppm2      9.517 CV     1
 ASSI { 1209}
   ((resid 113  and name HB3 ))
   ((resid 113  and name HN  ))
      2.500     0.800     0.800 peak  1209 weight  0.10000E+01 volume  0.37359E-02 ppm1      1.489 ppm2      7.532 CV     1
 ASSI { 1211}
   ((resid 113  and name HB3 ))
   ((resid 114  and name HN  ))
      3.400     1.500     1.500 peak  1211 weight  0.10000E+01 volume  0.62223E-03 ppm1      1.488 ppm2      7.210 CV     1
 ASSI { 1212}
   ((resid 113  and name HB3 ))
   ( resid 113  and name HD% )
      2.700     0.900     0.900 peak  1212 weight  0.10000E+01 volume  0.26179E-02 ppm1      1.489 ppm2      6.907 CV     1
 ASSI { 1216}
   ((resid 113  and name HB3 ))
   ((resid 97   and name HB2 ))
      3.400     1.500     1.500 peak  1216 weight  0.10000E+01 volume  0.60414E-03 ppm1      1.489 ppm2      2.933 CV     1
 OR { 1216}
   ((resid 113  and name HB3 ))
   ((resid 97   and name HB3 ))
 ASSI { 1219}
   ((resid 113  and name HA  ))
   ((resid 97   and name HA  ))
      4.700     2.800     1.300 peak  1219 weight  0.10000E+01 volume  0.88603E-04 ppm1      2.835 ppm2      5.218 CV     1
 ASSI { 1220}
   ((resid 112  and name HD2 ))
   ((resid 111  and name HN  ))
      4.300     2.300     1.700 peak  1220 weight  0.10000E+01 volume  0.16344E-03 ppm1      2.805 ppm2      9.577 CV     1
 ASSI { 1221}
   ((resid 112  and name HD2 ))
   ((resid 97   and name HZ3 ))
      2.500     0.800     0.800 peak  1221 weight  0.10000E+01 volume  0.44827E-02 ppm1      2.804 ppm2      7.471 CV     1
 ASSI { 1222}
   ((resid 112  and name HD2 ))
   ( resid 72   and name HD% )
      2.900     1.000     1.000 peak  1222 weight  0.10000E+01 volume  0.18246E-02 ppm1      2.805 ppm2      7.055 CV     1
 ASSI { 1223}
   ((resid 112  and name HD2 ))
   ((resid 82   and name HZ  ))
      2.500     0.800     0.800 peak  1223 weight  0.10000E+01 volume  0.40807E-02 ppm1      2.805 ppm2      6.795 CV     1
 ASSI { 1224}
   ((resid 112  and name HD2 ))
   ( resid 72   and name HE% )
      2.400     0.700     0.700 peak  1224 weight  0.10000E+01 volume  0.47131E-02 ppm1      2.805 ppm2      6.736 CV     1
 ASSI { 1229}
   ((resid 112  and name HD2 ))
   ((resid 112  and name HA  ))
      2.900     1.000     1.000 peak  1229 weight  0.10000E+01 volume  0.17643E-02 ppm1      2.805 ppm2      3.617 CV     1
 ASSI { 1231}
   ((resid 112  and name HD2 ))
   ((resid 112  and name HG3 ))
      2.300     0.700     0.700 peak  1231 weight  0.10000E+01 volume  0.63290E-02 ppm1      2.803 ppm2      0.598 CV     1
 ASSI { 1232}
   ((resid 112  and name HD2 ))
   ((resid 112  and name HB3 ))
      3.500     0.800     0.800 peak  1232 weight  0.10000E+01 volume  0.43513E-02 ppm1      2.803 ppm2      1.114 CV     1
 ASSI { 1234}
   ((resid 112  and name HD2 ))
   ((resid 111  and name HB  ))
      2.100     0.600     0.600 peak  1234 weight  0.10000E+01 volume  0.10459E-01 ppm1      2.805 ppm2      1.659 CV     1
 ASSI { 1236}
   ((resid 112  and name HD2 ))
   ((resid 97   and name HE3 ))
      3.300     1.400     1.400 peak  1236 weight  0.10000E+01 volume  0.78629E-03 ppm1      2.806 ppm2      7.154 CV     1
 ASSI { 1237}
   ((resid 112  and name HD2 ))
   ((resid 112  and name HB2 ))
      3.500     1.500     1.500 peak  1237 weight  0.10000E+01 volume  0.56563E-03 ppm1      2.806 ppm2      1.215 CV     1
 ASSI { 1238}
   ((resid 112  and name HG3 ))
   ((resid 115  and name HN  ))
      3.800     1.800     1.800 peak  1238 weight  0.10000E+01 volume  0.31158E-03 ppm1      0.601 ppm2      7.654 CV     1
 ASSI { 1239}
   ((resid 112  and name HG2 ))
   ( resid 82   and name HE% )
      3.800     1.800     1.800 peak  1239 weight  0.10000E+01 volume  0.35240E-03 ppm1      0.605 ppm2      7.477 CV     1
 OR { 1239}
   ((resid 112  and name HG3 ))
   ( resid 82   and name HE% )
 ASSI { 1240}
   ((resid 112  and name HG3 ))
   ( resid 115  and name HD% )
      3.600     1.600     1.600 peak  1240 weight  0.10000E+01 volume  0.45152E-03 ppm1      0.611 ppm2      7.387 CV     1
 ASSI { 1241}
   ((resid 112  and name HG2 ))
   ((resid 97   and name HH2 ))
      3.700     1.700     1.700 peak  1241 weight  0.10000E+01 volume  0.39245E-03 ppm1      0.607 ppm2      7.259 CV     1
 ASSI { 1242}
   ((resid 112  and name HG3 ))
   ( resid 72   and name HD% )
      3.100     1.200     1.200 peak  1242 weight  0.10000E+01 volume  0.10258E-02 ppm1      0.601 ppm2      7.060 CV     1
 ASSI { 1243}
   ((resid 112  and name HG3 ))
   ( resid 72   and name HE% )
      3.000     1.100     1.100 peak  1243 weight  0.10000E+01 volume  0.15002E-02 ppm1      0.604 ppm2      6.730 CV     1
 ASSI { 1244}
   ((resid 112  and name HG2 ))
   ((resid 82   and name HZ  ))
      4.200     2.200     1.800 peak  1244 weight  0.10000E+01 volume  0.18200E-03 ppm1      0.607 ppm2      6.801 CV     1
 OR { 1244}
   ((resid 112  and name HG3 ))
   ((resid 82   and name HZ  ))
 ASSI { 1247}
   ((resid 112  and name HG3 ))
   ((resid 115  and name HB2 ))
      3.200     1.300     1.300 peak  1247 weight  0.10000E+01 volume  0.96489E-03 ppm1      0.607 ppm2      3.233 CV     1
 ASSI { 1254}
   ((resid 112  and name HB2 ))
   ( resid 115  and name HD% )
      4.200     2.200     1.800 peak  1254 weight  0.10000E+01 volume  0.19421E-03 ppm1      1.230 ppm2      7.382 CV     1
 ASSI { 1256}
   ((resid 112  and name HB2 ))
   ( resid 115   and name HE% )
      3.300     1.400     1.400 peak  1256 weight  0.10000E+01 volume  0.71501E-03 ppm1      1.228 ppm2      7.057 CV     1
 ASSI { 1260}
   ((resid 112  and name HB2 ))
   ((resid 112  and name HG3 ))
      2.600     0.900     0.900 peak  1260 weight  0.10000E+01 volume  0.29085E-02 ppm1      1.228 ppm2      0.591 CV     1
 ASSI { 1261}
   ((resid 112  and name HB2 ))
   ((resid 112  and name HB3 ))
      2.100     0.500     0.500 peak  1261 weight  0.10000E+01 volume  0.12052E-01 ppm1      1.226 ppm2      1.108 CV     1
 ASSI { 1263}
   ((resid 112  and name HB3 ))
   ((resid 115  and name HN  ))
      3.900     1.900     1.900 peak  1263 weight  0.10000E+01 volume  0.29920E-03 ppm1      1.116 ppm2      7.645 CV     1
 ASSI { 1264}
   ((resid 112  and name HB3 ))
   ((resid 113  and name HN  ))
      4.500     2.500     1.500 peak  1264 weight  0.10000E+01 volume  0.12309E-03 ppm1      1.111 ppm2      7.530 CV     1
 ASSI { 1265}
   ((resid 112  and name HB3 ))
   ((resid 114  and name HN  ))
      3.700     1.700     1.700 peak  1265 weight  0.10000E+01 volume  0.38209E-03 ppm1      1.114 ppm2      7.234 CV     1
 ASSI { 1266}
   ((resid 112  and name HB3 ))
   ( resid 72   and name HD% )
      3.600     1.600     1.600 peak  1266 weight  0.10000E+01 volume  0.46915E-03 ppm1      1.118 ppm2      7.055 CV     1
 ASSI { 1270}
   ((resid 112  and name HB3 ))
   ((resid 112  and name HG3 ))
      2.700     0.900     0.900 peak  1270 weight  0.10000E+01 volume  0.26272E-02 ppm1      1.114 ppm2      0.596 CV     1
 ASSI { 1273}
   ((resid 111  and name HG12))
   ((resid 111  and name HN  ))
      2.600     0.800     0.800 peak  1273 weight  0.10000E+01 volume  0.34730E-02 ppm1      1.003 ppm2      9.567 CV     1
 ASSI { 1274}
   ((resid 111  and name HG12))
   ((resid 98   and name HN  ))
      3.400     1.400     1.400 peak  1274 weight  0.10000E+01 volume  0.65547E-03 ppm1      1.002 ppm2      9.008 CV     1
 ASSI { 1275}
   ((resid 111  and name HG12))
   ( resid 82   and name HE% )
      4.100     2.100     1.900 peak  1275 weight  0.10000E+01 volume  0.20303E-03 ppm1      1.000 ppm2      7.478 CV     1
 ASSI { 1278}
   ((resid 111  and name HG12))
   ((resid 98   and name HB3 ))
      3.200     1.300     1.300 peak  1278 weight  0.10000E+01 volume  0.85819E-03 ppm1      1.001 ppm2      3.324 CV     1
 ASSI { 1279}
   ((resid 111  and name HG12))
   ((resid 98   and name HB2 ))
      2.700     0.900     0.900 peak  1279 weight  0.10000E+01 volume  0.28204E-02 ppm1      1.002 ppm2      2.959 CV     1
 ASSI { 1280}
   ((resid 111  and name HG12))
   ((resid 112  and name HD2 ))
      3.500     1.500     1.500 peak  1280 weight  0.10000E+01 volume  0.52357E-03 ppm1      1.000 ppm2      2.810 CV     1
 ASSI { 1281}
   ((resid 111  and name HG13))
   ((resid 111  and name HN  ))
      2.700     0.900     0.900 peak  1281 weight  0.10000E+01 volume  0.27215E-02 ppm1      1.412 ppm2      9.571 CV     1
 ASSI { 1282}
   ((resid 111  and name HG13))
   ((resid 98   and name HN  ))
      3.200     1.200     1.200 peak  1282 weight  0.10000E+01 volume  0.10209E-02 ppm1      1.416 ppm2      9.013 CV     1
 ASSI { 1283}
   ((resid 111  and name HG13))
   ( resid 82   and name HE% )
      3.900     1.900     1.900 peak  1283 weight  0.10000E+01 volume  0.27401E-03 ppm1      1.411 ppm2      7.478 CV     1
 ASSI { 1284}
   ((resid 111  and name HG13))
   ((resid 98   and name HE3 ))
      3.800     1.800     1.800 peak  1284 weight  0.10000E+01 volume  0.34823E-03 ppm1      1.413 ppm2      7.213 CV     1
 ASSI { 1286}
   ((resid 111  and name HG13))
   ((resid 100  and name HA  ))
      4.600     2.600     1.400 peak  1286 weight  0.10000E+01 volume  0.10793E-03 ppm1      1.414 ppm2      5.439 CV     1
 ASSI { 1288}
   ((resid 111  and name HG13))
   ((resid 112  and name HD2 ))
      3.000     1.100     1.100 peak  1288 weight  0.10000E+01 volume  0.13298E-02 ppm1      1.411 ppm2      2.815 CV     1
 ASSI { 1291}
   ((resid 111  and name HB  ))
   ((resid 111  and name HN  ))
      3.500     1.600     1.600 peak  1291 weight  0.10000E+01 volume  0.50208E-03 ppm1      1.670 ppm2      9.563 CV     1
 ASSI { 1292}
   ((resid 111  and name HB  ))
   ( resid 82   and name HE% )
      2.300     0.700     0.700 peak  1292 weight  0.10000E+01 volume  0.69042E-02 ppm1      1.670 ppm2      7.473 CV     1
 ASSI { 1293}
   ((resid 111  and name HB  ))
   ( resid 115  and name HE% )
      5.700     1.700     1.000 peak  1293 weight  0.10000E+01 volume  0.37823E-03 ppm1      1.671 ppm2      7.053 CV     1
 ASSI { 1294}
   ((resid 111  and name HB  ))
   ( resid 82   and name HD% )
      3.600     1.700     1.700 peak  1294 weight  0.10000E+01 volume  0.43018E-03 ppm1      1.672 ppm2      6.970 CV     1
 ASSI { 1295}
   ((resid 111  and name HB  ))
   ((resid 82   and name HZ  ))
      3.200     1.300     1.300 peak  1295 weight  0.10000E+01 volume  0.89098E-03 ppm1      1.669 ppm2      6.791 CV     1
 ASSI { 1301}
   ((resid 111  and name HB  ))
   ((resid 111  and name HG12))
      2.700     0.900     0.900 peak  1301 weight  0.10000E+01 volume  0.28034E-02 ppm1      1.674 ppm2      1.003 CV     1
 ASSI { 1303}
   ((resid 111  and name HB  ))
   ((resid 111  and name HG13))
      2.500     0.800     0.800 peak  1303 weight  0.10000E+01 volume  0.39075E-02 ppm1      1.675 ppm2      1.407 CV     1
 ASSI { 1309}
   ((resid 111  and name HG12))
   ( resid 111  and name HD1%)
      2.300     0.700     0.700 peak  1309 weight  0.10000E+01 volume  0.65671E-02 ppm1      1.005 ppm2      0.458 CV     1
 ASSI { 1311}
   ((resid 111  and name HG12))
   ( resid 111  and name HG2%)
      2.400     0.700     0.700 peak  1311 weight  0.10000E+01 volume  0.49775E-02 ppm1      1.007 ppm2      1.102 CV     1
 ASSI { 1312}
   ((resid 111  and name HG12))
   ( resid 100  and name HB% )
      2.300     0.700     0.700 peak  1312 weight  0.10000E+01 volume  0.67789E-02 ppm1      1.005 ppm2      1.218 CV     1
 ASSI { 1313}
   ((resid 111  and name HG12))
   ((resid 111  and name HG13))
      1.800     0.400     0.400 peak  1313 weight  0.10000E+01 volume  0.26333E-01 ppm1      1.005 ppm2      1.404 CV     1
 ASSI { 1315}
   ((resid 109  and name HA2 ))
   ((resid 80   and name HN  ))
      3.300     1.400     1.400 peak  1315 weight  0.10000E+01 volume  0.71145E-03 ppm1      4.103 ppm2      9.105 CV     1
 ASSI { 1317}
   ((resid 109  and name HA2 ))
   ((resid 110  and name HA  ))
      4.300     2.300     1.700 peak  1317 weight  0.10000E+01 volume  0.15973E-03 ppm1      4.104 ppm2      5.679 CV     1
 ASSI { 1318}
   ((resid 109  and name HA2 ))
   ((resid 79   and name HA  ))
      3.500     1.600     1.600 peak  1318 weight  0.10000E+01 volume  0.50240E-03 ppm1      4.106 ppm2      5.336 CV     1
 ASSI { 1319}
   ((resid 109  and name HA2 ))
   ((resid 109  and name HA1 ))
      1.600     0.300     0.600 peak  1319 weight  0.10000E+01 volume  0.52249E-01 ppm1      4.107 ppm2      3.935 CV     1
 ASSI { 1321}
   ((resid 109  and name HA2 ))
   ((resid 80   and name HB3 ))
      3.100     1.200     1.200 peak  1321 weight  0.10000E+01 volume  0.10918E-02 ppm1      4.104 ppm2      1.759 CV     1
 ASSI { 1322}
   ((resid 109  and name HA2 ))
   ((resid 80   and name HB2 ))
      2.600     0.900     0.900 peak  1322 weight  0.10000E+01 volume  0.30276E-02 ppm1      4.107 ppm2      0.735 CV     1
 ASSI { 1329}
   ((resid 108  and name HB2 ))
   ((resid 101  and name HA  ))
      3.500     1.500     1.500 peak  1329 weight  0.10000E+01 volume  0.58666E-03 ppm1      1.874 ppm2      5.267 CV     1
 ASSI { 1330}
   ((resid 108  and name HB3 ))
   ((resid 101  and name HA  ))
      3.800     1.900     1.900 peak  1330 weight  0.10000E+01 volume  0.30694E-03 ppm1      1.809 ppm2      5.264 CV     1
 ASSI { 1331}
   ((resid 108  and name HB3 ))
   ( resid 91   and name HD1%)
      2.900     1.000     1.000 peak  1331 weight  0.10000E+01 volume  0.17457E-02 ppm1      1.812 ppm2      0.682 CV     1
 ASSI { 1332}
   ((resid 108  and name HB2 ))
   ( resid 91   and name HD1%)
      3.000     1.100     1.100 peak  1332 weight  0.10000E+01 volume  0.14518E-02 ppm1      1.872 ppm2      0.682 CV     1
 ASSI { 1333}
   ((resid 108  and name HB2 ))
   ((resid 108  and name HG2 ))
      2.200     0.600     0.600 peak  1333 weight  0.10000E+01 volume  0.96937E-02 ppm1      1.872 ppm2      2.017 CV     1
 ASSI { 1334}
   ((resid 108  and name HB3 ))
   ((resid 108  and name HG2 ))
      2.000     0.500     0.500 peak  1334 weight  0.10000E+01 volume  0.15206E-01 ppm1      1.810 ppm2      2.010 CV     1
 ASSI { 1335}
   ((resid 108  and name HB3 ))
   ((resid 108  and name HG3 ))
      2.500     0.800     0.800 peak  1335 weight  0.10000E+01 volume  0.38982E-02 ppm1      1.808 ppm2      2.243 CV     1
 ASSI { 1336}
   ((resid 108  and name HB2 ))
   ((resid 108  and name HG3 ))
      2.900     1.100     1.100 peak  1336 weight  0.10000E+01 volume  0.15258E-02 ppm1      1.873 ppm2      2.243 CV     1
 ASSI { 1337}
   ((resid 108  and name HB3 ))
   ((resid 108  and name HB2 ))
      1.900     0.500     0.500 peak  1337 weight  0.10000E+01 volume  0.18184E-01 ppm1      1.806 ppm2      1.879 CV     1
 ASSI { 1344}
   ((resid 107  and name HB3 ))
   ((resid 107  and name HA  ))
      2.500     0.800     0.800 peak  1344 weight  0.10000E+01 volume  0.39755E-02 ppm1      2.052 ppm2      4.200 CV     1
 ASSI { 1347}
   ((resid 107  and name HB3 ))
   ((resid 107  and name HB2 ))
      1.400     0.200     0.800 peak  1347 weight  0.10000E+01 volume  0.14642E+00 ppm1      2.056 ppm2      2.052 CV     1
 ASSI { 1349}
   ((resid 107  and name HB3 ))
   ((resid 107  and name HG2 ))
      2.300     0.700     0.700 peak  1349 weight  0.10000E+01 volume  0.66073E-02 ppm1      2.058 ppm2      2.405 CV     1
 OR { 1349}
   ((resid 107  and name HB3 ))
   ((resid 107  and name HG3 ))
 ASSI { 1350}
   ((resid 107  and name HB2 ))
   ((resid 108  and name HN  ))
      3.200     1.200     1.200 peak  1350 weight  0.10000E+01 volume  0.10060E-02 ppm1      1.937 ppm2      8.541 CV     1
 ASSI { 1357}
   ((resid 107  and name HB2 ))
   ((resid 107  and name HG3 ))
      2.200     0.600     0.600 peak  1357 weight  0.10000E+01 volume  0.77717E-02 ppm1      1.937 ppm2      2.409 CV     1
 OR { 1357}
   ((resid 107  and name HB2 ))
   ((resid 107  and name HG2 ))
 ASSI { 1359}
   ((resid 107  and name HA  ))
   ((resid 107  and name HG3 ))
      2.400     0.700     0.700 peak  1359 weight  0.10000E+01 volume  0.49374E-02 ppm1      4.226 ppm2      2.410 CV     1
 OR { 1359}
   ((resid 107  and name HA  ))
   ((resid 107  and name HG2 ))
 ASSI { 1360}
   ((resid 107  and name HA  ))
   ((resid 107  and name HB2 ))
      2.200     0.600     0.600 peak  1360 weight  0.10000E+01 volume  0.98515E-02 ppm1      4.226 ppm2      2.045 CV     1
 ASSI { 1362}
   ((resid 107  and name HA  ))
   ( resid 80   and name HD1%)
      3.500     1.500     1.500 peak  1362 weight  0.10000E+01 volume  0.56532E-03 ppm1      4.226 ppm2      0.806 CV     1
 ASSI { 1366}
   ((resid 107  and name HG2 ))
   ((resid 108  and name HN  ))
      3.300     1.400     1.400 peak  1366 weight  0.10000E+01 volume  0.78289E-03 ppm1      2.439 ppm2      8.547 CV     1
 ASSI { 1367}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HN  ))
      2.900     1.100     1.100 peak  1367 weight  0.10000E+01 volume  0.15141E-02 ppm1      2.445 ppm2      7.921 CV     1
 ASSI { 1369}
   ((resid 107  and name HG3 ))
   ((resid 107  and name HE21))
      3.100     1.200     1.200 peak  1369 weight  0.10000E+01 volume  0.10359E-02 ppm1      2.401 ppm2      7.569 CV     1
 ASSI { 1370}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HE21))
      3.100     1.200     1.200 peak  1370 weight  0.10000E+01 volume  0.10960E-02 ppm1      2.442 ppm2      7.569 CV     1
 ASSI { 1371}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HE22))
      3.900     1.900     1.900 peak  1371 weight  0.10000E+01 volume  0.29024E-03 ppm1      2.441 ppm2      6.947 CV     1
 ASSI { 1375}
   ((resid 107  and name HG3 ))
   ((resid 107  and name HA  ))
      3.000     1.200     1.200 peak  1375 weight  0.10000E+01 volume  0.12624E-02 ppm1      2.398 ppm2      4.215 CV     1
 ASSI { 1376}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HA  ))
      2.800     1.000     1.000 peak  1376 weight  0.10000E+01 volume  0.19468E-02 ppm1      2.442 ppm2      4.215 CV     1
 ASSI { 1378}
   ((resid 107  and name HG3 ))
   ((resid 105  and name HB  ))
      3.200     1.300     1.300 peak  1378 weight  0.10000E+01 volume  0.94309E-03 ppm1      2.399 ppm2      4.474 CV     1
 ASSI { 1379}
   ((resid 107  and name HG3 ))
   ( resid 80   and name HD1%)
      3.300     1.400     1.400 peak  1379 weight  0.10000E+01 volume  0.70991E-03 ppm1      2.401 ppm2      0.797 CV     1
 ASSI { 1380}
   ((resid 107  and name HG3 ))
   ( resid 105  and name HG2%)
      3.800     1.800     1.800 peak  1380 weight  0.10000E+01 volume  0.32179E-03 ppm1      2.401 ppm2      1.256 CV     1
 OR { 1380}
   ((resid 107  and name HG2 ))
   ( resid 105  and name HG2%)
 ASSI { 1382}
   ((resid 107  and name HG2 ))
   ( resid 80   and name HD1%)
      3.100     1.200     1.200 peak  1382 weight  0.10000E+01 volume  0.10718E-02 ppm1      2.432 ppm2      0.797 CV     1
 ASSI { 1383}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HB3 ))
      2.500     0.800     0.800 peak  1383 weight  0.10000E+01 volume  0.43049E-02 ppm1      2.434 ppm2      1.922 CV     1
 ASSI { 1384}
   ((resid 107  and name HG3 ))
   ((resid 107  and name HB3 ))
      2.500     0.800     0.800 peak  1384 weight  0.10000E+01 volume  0.40018E-02 ppm1      2.399 ppm2      1.922 CV     1
 ASSI { 1385}
   ((resid 107  and name HG3 ))
   ((resid 107  and name HB2 ))
      2.800     1.000     1.000 peak  1385 weight  0.10000E+01 volume  0.20767E-02 ppm1      2.399 ppm2      2.055 CV     1
 ASSI { 1386}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HB2 ))
      3.000     1.100     1.100 peak  1386 weight  0.10000E+01 volume  0.14328E-02 ppm1      2.434 ppm2      2.052 CV     1
 ASSI { 1390}
   ((resid 107  and name HG2 ))
   ((resid 107  and name HG3 ))
      1.700     0.300     0.500 peak  1390 weight  0.10000E+01 volume  0.49342E-01 ppm1      2.435 ppm2      2.435 CV     1
 ASSI { 1391}
   ((resid 106  and name HA2 ))
   ((resid 102  and name HN  ))
      4.400     2.500     1.600 peak  1391 weight  0.10000E+01 volume  0.13128E-03 ppm1      3.830 ppm2      8.759 CV     1
 ASSI { 1395}
   ((resid 106  and name HA2 ))
   ((resid 101  and name HE22))
      4.000     2.000     2.000 peak  1395 weight  0.10000E+01 volume  0.24261E-03 ppm1      3.831 ppm2      6.748 CV     1
 ASSI { 1396}
   ((resid 106  and name HA2 ))
   ( resid 103  and name HD1%)
      4.700     2.700     1.300 peak  1396 weight  0.10000E+01 volume  0.96025E-04 ppm1      3.832 ppm2      0.797 CV     1
 ASSI { 1397}
   ((resid 106  and name HA2 ))
   ((resid 101  and name HG3 ))
      3.100     1.200     1.200 peak  1397 weight  0.10000E+01 volume  0.11133E-02 ppm1      3.829 ppm2      1.995 CV     1
 ASSI { 1398}
   ((resid 106  and name HA2 ))
   ((resid 101  and name HG2 ))
      3.100     1.200     1.200 peak  1398 weight  0.10000E+01 volume  0.10371E-02 ppm1      3.830 ppm2      2.109 CV     1
 ASSI { 1399}
   ((resid 106  and name HA1 ))
   ((resid 105  and name HN  ))
      3.900     1.900     1.900 peak  1399 weight  0.10000E+01 volume  0.26968E-03 ppm1      4.258 ppm2      8.126 CV     1
 ASSI { 1400}
   ((resid 106  and name HA1 ))
   ((resid 107  and name HN  ))
      2.900     1.100     1.100 peak  1400 weight  0.10000E+01 volume  0.15494E-02 ppm1      4.259 ppm2      7.919 CV     1
 ASSI { 1402}
   ((resid 106  and name HA1 ))
   ((resid 101  and name HG3 ))
      3.300     1.300     1.300 peak  1402 weight  0.10000E+01 volume  0.83949E-03 ppm1      4.259 ppm2      1.987 CV     1
 ASSI { 1403}
   ((resid 106  and name HA1 ))
   ((resid 101  and name HG2 ))
      3.700     1.700     1.700 peak  1403 weight  0.10000E+01 volume  0.39291E-03 ppm1      4.262 ppm2      2.110 CV     1
 ASSI { 1404}
   ((resid 106  and name HA1 ))
   ((resid 106  and name HA2 ))
      1.700     0.300     0.500 peak  1404 weight  0.10000E+01 volume  0.48244E-01 ppm1      4.260 ppm2      3.832 CV     1
 ASSI { 1406}
   ((resid 105  and name HB  ))
   ((resid 105  and name HG1 ))
      2.800     1.000     1.000 peak  1406 weight  0.10000E+01 volume  0.21030E-02 ppm1      4.488 ppm2      5.964 CV     1
 ASSI { 1407}
   ((resid 105  and name HB  ))
   ((resid 105  and name HA  ))
      1.600     0.300     0.600 peak  1407 weight  0.10000E+01 volume  0.56502E-01 ppm1      4.485 ppm2      4.483 CV     1
 ASSI { 1409}
   ((resid 105  and name HB  ))
   ((resid 107  and name HG2 ))
      3.300     1.400     1.400 peak  1409 weight  0.10000E+01 volume  0.74253E-03 ppm1      4.481 ppm2      2.426 CV     1
 ASSI { 1411}
   ((resid 105  and name HA  ))
   ( resid 105  and name HG2%)
      3.000     1.100     1.100 peak  1411 weight  0.10000E+01 volume  0.15092E-02 ppm1      4.534 ppm2      1.261 CV     1
 ASSI { 1412}
   ((resid 105  and name HA  ))
   ((resid 105  and name HN  ))
      3.200     1.300     1.300 peak  1412 weight  0.10000E+01 volume  0.96041E-03 ppm1      4.542 ppm2      8.128 CV     1
 ASSI { 1413}
   ((resid 107  and name HB2 ))
   ((resid 105  and name HG1 ))
      3.100     1.200     1.200 peak  1413 weight  0.10000E+01 volume  0.11039E-02 ppm1      1.936 ppm2      5.962 CV     1
 ASSI { 1414}
   ((resid 107  and name HB3 ))
   ((resid 105  and name HG1 ))
      3.300     1.400     1.400 peak  1414 weight  0.10000E+01 volume  0.75613E-03 ppm1      2.056 ppm2      5.959 CV     1
 ASSI { 1415}
   ((resid 107  and name HG2 ))
   ((resid 105  and name HG1 ))
      4.300     2.300     1.700 peak  1415 weight  0.10000E+01 volume  0.16175E-03 ppm1      2.438 ppm2      5.963 CV     1
 ASSI { 1416}
   ((resid 107  and name HG3 ))
   ((resid 105  and name HG1 ))
      4.300     2.300     1.700 peak  1416 weight  0.10000E+01 volume  0.16654E-03 ppm1      2.406 ppm2      5.964 CV     1
 ASSI { 1422}
   ((resid 104  and name HB  ))
   ((resid 86   and name HG3 ))
      4.000     2.000     2.000 peak  1422 weight  0.10000E+01 volume  0.24911E-03 ppm1      4.100 ppm2      2.370 CV     1
 ASSI { 1423}
   ((resid 104  and name HB  ))
   ((resid 86   and name HG2 ))
      3.700     1.700     1.700 peak  1423 weight  0.10000E+01 volume  0.41904E-03 ppm1      4.096 ppm2      2.478 CV     1
 ASSI { 1424}
   ((resid 104  and name HB  ))
   ( resid 104  and name HG2%)
      2.000     0.500     0.500 peak  1424 weight  0.10000E+01 volume  0.13969E-01 ppm1      4.097 ppm2      1.263 CV     1
 ASSI { 1427}
   ((resid 103  and name HA  ))
   ((resid 104  and name HN  ))
      3.500     1.500     1.500 peak  1427 weight  0.10000E+01 volume  0.55528E-03 ppm1      4.301 ppm2      8.484 CV     1
 ASSI { 1428}
   ((resid 103  and name HA  ))
   ((resid 105  and name HN  ))
      3.700     1.700     1.700 peak  1428 weight  0.10000E+01 volume  0.40776E-03 ppm1      4.299 ppm2      8.136 CV     1
 ASSI { 1429}
   ((resid 103  and name HA  ))
   ((resid 106  and name HN  ))
      5.000     3.100     1.000 peak  1429 weight  0.10000E+01 volume  0.64635E-04 ppm1      4.300 ppm2      7.662 CV     1
 ASSI { 1431}
   ((resid 103  and name HA  ))
   ( resid 103  and name HD1%)
      6.000     6.00     0.600 peak  1431 weight  0.10000E+01 volume  0.11563E-01 ppm1      4.296 ppm2      0.807 CV     1
 ASSI { 1432}
   ((resid 103  and name HA  ))
   ((resid 103  and name HB3 ))
      2.000     0.500     0.500 peak  1432 weight  0.10000E+01 volume  0.15896E-01 ppm1      4.299 ppm2      1.714 CV     1
 ASSI { 1433}
   ((resid 103  and name HB3 ))
   ((resid 103  and name HN  ))
      3.500     0.800     0.800 peak  1433 weight  0.10000E+01 volume  0.42461E-02 ppm1      1.732 ppm2      8.871 CV     1
 ASSI { 1434}
   ((resid 103  and name HB3 ))
   ((resid 104  and name HN  ))
      2.800     1.000     1.000 peak  1434 weight  0.10000E+01 volume  0.19514E-02 ppm1      1.731 ppm2      8.478 CV     1
 ASSI { 1439}
   ((resid 102  and name HB2 ))
   ((resid 102  and name HN  ))
      2.800     0.900     0.900 peak  1439 weight  0.10000E+01 volume  0.22962E-02 ppm1      4.209 ppm2      8.768 CV     1
 ASSI { 1441}
   ((resid 102  and name HB2 ))
   ((resid 107  and name HN  ))
      4.000     2.000     2.000 peak  1441 weight  0.10000E+01 volume  0.23689E-03 ppm1      4.206 ppm2      7.924 CV     1
 ASSI { 1443}
   ((resid 102  and name HB2 ))
   ((resid 105  and name HG1 ))
      4.100     2.100     1.900 peak  1443 weight  0.10000E+01 volume  0.21200E-03 ppm1      4.209 ppm2      5.958 CV     1
 ASSI { 1447}
   ((resid 102  and name HB2 ))
   ( resid 88   and name HD2%)
      2.700     0.900     0.900 peak  1447 weight  0.10000E+01 volume  0.27045E-02 ppm1      4.209 ppm2      0.637 CV     1
 ASSI { 1448}
   ((resid 102  and name HB2 ))
   ( resid 80   and name HD1%)
      3.100     1.200     1.200 peak  1448 weight  0.10000E+01 volume  0.10280E-02 ppm1      4.209 ppm2      0.793 CV     1
 ASSI { 1450}
   ((resid 102  and name HB3 ))
   ((resid 105  and name HN  ))
      3.300     1.300     1.300 peak  1450 weight  0.10000E+01 volume  0.80841E-03 ppm1      4.046 ppm2      8.124 CV     1
 ASSI { 1452}
   ((resid 102  and name HB3 ))
   ((resid 106  and name HN  ))
      2.800     1.000     1.000 peak  1452 weight  0.10000E+01 volume  0.20148E-02 ppm1      4.047 ppm2      7.658 CV     1
 ASSI { 1453}
   ((resid 102  and name HB3 ))
   ((resid 102  and name HB2 ))
      1.900     0.400     0.400 peak  1453 weight  0.10000E+01 volume  0.23844E-01 ppm1      4.044 ppm2      4.201 CV     1
 ASSI { 1455}
   ((resid 102  and name HB3 ))
   ( resid 88   and name HD2%)
      2.900     1.100     1.100 peak  1455 weight  0.10000E+01 volume  0.16824E-02 ppm1      4.045 ppm2      0.634 CV     1
 ASSI { 1457}
   ((resid 102  and name HB3 ))
   ( resid 105  and name HG2%)
      3.500     1.500     1.500 peak  1457 weight  0.10000E+01 volume  0.55697E-03 ppm1      4.045 ppm2      1.257 CV     1
 ASSI { 1459}
   ((resid 102  and name HB3 ))
   ((resid 101  and name HA  ))
      4.000     2.000     2.000 peak  1459 weight  0.10000E+01 volume  0.24045E-03 ppm1      4.043 ppm2      5.275 CV     1
 ASSI { 1460}
   ((resid 102  and name HB3 ))
   ((resid 105  and name HG1 ))
      3.500     1.500     1.500 peak  1460 weight  0.10000E+01 volume  0.56842E-03 ppm1      4.047 ppm2      5.954 CV     1
 ASSI { 1461}
   ((resid 102  and name HB3 ))
   ((resid 106  and name HA1 ))
      2.100     0.600     0.600 peak  1461 weight  0.10000E+01 volume  0.10144E-01 ppm1      4.045 ppm2      3.800 CV     1
 ASSI { 1462}
   ((resid 102  and name HB2 ))
   ((resid 106  and name HA1 ))
      2.400     0.700     0.700 peak  1462 weight  0.10000E+01 volume  0.53625E-02 ppm1      4.214 ppm2      3.803 CV     1
 ASSI { 1465}
   ((resid 101  and name HG2 ))
   ((resid 101  and name HE21))
      2.700     0.900     0.900 peak  1465 weight  0.10000E+01 volume  0.23071E-02 ppm1      2.121 ppm2      7.683 CV     1
 ASSI { 1467}
   ((resid 101  and name HG2 ))
   ((resid 108  and name HA  ))
      3.800     1.800     1.800 peak  1467 weight  0.10000E+01 volume  0.35209E-03 ppm1      2.121 ppm2      5.693 CV     1
 ASSI { 1468}
   ((resid 101  and name HG2 ))
   ((resid 101  and name HA  ))
      2.700     0.900     0.900 peak  1468 weight  0.10000E+01 volume  0.26133E-02 ppm1      2.121 ppm2      5.282 CV     1
 ASSI { 1471}
   ((resid 101  and name HB3 ))
   ((resid 102  and name HN  ))
      3.200     1.300     1.300 peak  1471 weight  0.10000E+01 volume  0.94494E-03 ppm1      1.955 ppm2      8.761 CV     1
 ASSI { 1472}
   ((resid 101  and name HB3 ))
   ((resid 101  and name HE21))
      3.300     1.400     1.400 peak  1472 weight  0.10000E+01 volume  0.78582E-03 ppm1      1.954 ppm2      7.678 CV     1
 ASSI { 1473}
   ((resid 101  and name HB3 ))
   ((resid 101  and name HE22))
      4.200     2.200     1.800 peak  1473 weight  0.10000E+01 volume  0.17334E-03 ppm1      1.948 ppm2      6.736 CV     1
 ASSI { 1474}
   ((resid 101  and name HB3 ))
   ((resid 108  and name HA  ))
      3.700     1.700     1.700 peak  1474 weight  0.10000E+01 volume  0.37884E-03 ppm1      1.948 ppm2      5.694 CV     1
 ASSI { 1477}
   ((resid 101  and name HG3 ))
   ((resid 101  and name HA  ))
      3.600     1.600     1.600 peak  1477 weight  0.10000E+01 volume  0.45368E-03 ppm1      2.006 ppm2      5.264 CV     1
 ASSI { 1481}
   ((resid 101  and name HG3 ))
   ((resid 101  and name HN  ))
      3.400     1.400     1.400 peak  1481 weight  0.10000E+01 volume  0.67960E-03 ppm1      2.007 ppm2      8.976 CV     1
 ASSI { 1483}
   ((resid 101  and name HB2 ))
   ((resid 102  and name HN  ))
      3.100     1.200     1.200 peak  1483 weight  0.10000E+01 volume  0.11036E-02 ppm1      1.720 ppm2      8.754 CV     1
 ASSI { 1484}
   ((resid 101  and name HB2 ))
   ((resid 101  and name HE21))
      3.200     1.200     1.200 peak  1484 weight  0.10000E+01 volume  0.10003E-02 ppm1      1.719 ppm2      7.669 CV     1
 ASSI { 1485}
   ((resid 101  and name HB2 ))
   ((resid 101  and name HE22))
      4.200     2.200     1.800 peak  1485 weight  0.10000E+01 volume  0.17179E-03 ppm1      1.719 ppm2      6.749 CV     1
 ASSI { 1486}
   ((resid 101  and name HB2 ))
   ((resid 108  and name HA  ))
      3.400     1.500     1.500 peak  1486 weight  0.10000E+01 volume  0.63475E-03 ppm1      1.719 ppm2      5.692 CV     1
 ASSI { 1488}
   ((resid 101  and name HG2 ))
   ( resid 91   and name HD1%)
      3.100     1.200     1.200 peak  1488 weight  0.10000E+01 volume  0.12289E-02 ppm1      2.123 ppm2      0.678 CV     1
 ASSI { 1490}
   ((resid 101  and name HG2 ))
   ((resid 101  and name HB2 ))
      2.200     0.600     0.600 peak  1490 weight  0.10000E+01 volume  0.82232E-02 ppm1      2.121 ppm2      1.714 CV     1
 ASSI { 1491}
   ((resid 101  and name HG2 ))
   ((resid 101  and name HG3 ))
      1.900     0.400     0.400 peak  1491 weight  0.10000E+01 volume  0.24307E-01 ppm1      2.126 ppm2      1.998 CV     1
 ASSI { 1494}
   ((resid 101  and name HB3 ))
   ( resid 91   and name HD1%)
      2.700     0.900     0.900 peak  1494 weight  0.10000E+01 volume  0.23813E-02 ppm1      1.953 ppm2      0.681 CV     1
 ASSI { 1496}
   ((resid 101  and name HB3 ))
   ((resid 101  and name HB2 ))
      1.900     0.400     0.400 peak  1496 weight  0.10000E+01 volume  0.23225E-01 ppm1      1.954 ppm2      1.715 CV     1
 ASSI { 1498}
   ((resid 101  and name HB3 ))
   ((resid 101  and name HG2 ))
      2.200     0.600     0.600 peak  1498 weight  0.10000E+01 volume  0.10049E-01 ppm1      1.949 ppm2      2.114 CV     1
 ASSI { 1500}
   ((resid 101  and name HG3 ))
   ( resid 91   and name HD1%)
      3.000     1.100     1.100 peak  1500 weight  0.10000E+01 volume  0.13972E-02 ppm1      2.005 ppm2      0.676 CV     1
 ASSI { 1501}
   ((resid 101  and name HG3 ))
   ((resid 101  and name HB2 ))
      2.300     0.700     0.700 peak  1501 weight  0.10000E+01 volume  0.61403E-02 ppm1      2.008 ppm2      1.713 CV     1
 ASSI { 1503}
   ((resid 101  and name HB2 ))
   ( resid 91   and name HD1%)
      2.500     0.800     0.800 peak  1503 weight  0.10000E+01 volume  0.44704E-02 ppm1      1.720 ppm2      0.677 CV     1
 ASSI { 1507}
   ((resid 101  and name HG3 ))
   ((resid 108  and name HA  ))
      6.000     4.400     0.000 peak  1507 weight  0.10000E+01 volume  0.22267E-04 ppm1      2.007 ppm2      5.706 CV     1
 ASSI { 1509}
   ((resid 99   and name HB2 ))
   ((resid 91   and name HN  ))
      4.500     2.500     1.500 peak  1509 weight  0.10000E+01 volume  0.12679E-03 ppm1      1.580 ppm2      9.226 CV     1
 ASSI { 1511}
   ((resid 99   and name HB2 ))
   ((resid 92   and name HN  ))
      2.900     1.000     1.000 peak  1511 weight  0.10000E+01 volume  0.17520E-02 ppm1      1.575 ppm2      7.672 CV     1
 ASSI { 1512}
   ((resid 99   and name HB2 ))
   ( resid 110  and name HD% )
      3.700     1.700     1.700 peak  1512 weight  0.10000E+01 volume  0.40636E-03 ppm1      1.575 ppm2      7.391 CV     1
 ASSI { 1517}
   ((resid 99   and name HB3 ))
   ((resid 91   and name HN  ))
      3.900     1.900     1.900 peak  1517 weight  0.10000E+01 volume  0.28823E-03 ppm1      1.663 ppm2      9.211 CV     1
 ASSI { 1518}
   ((resid 99   and name HB3 ))
   ((resid 100  and name HN  ))
      3.900     1.900     1.900 peak  1518 weight  0.10000E+01 volume  0.27276E-03 ppm1      1.663 ppm2      9.413 CV     1
 ASSI { 1519}
   ((resid 99   and name HG3 ))
   ((resid 100  and name HN  ))
      3.800     1.800     1.800 peak  1519 weight  0.10000E+01 volume  0.32998E-03 ppm1      1.361 ppm2      9.417 CV     1
 ASSI { 1520}
   ((resid 99   and name HG3 ))
   ((resid 99   and name HN  ))
      3.600     1.600     1.600 peak  1520 weight  0.10000E+01 volume  0.43992E-03 ppm1      1.360 ppm2      8.724 CV     1
 ASSI { 1521}
   ((resid 99   and name HG3 ))
   ( resid 110  and name HD% )
      3.500     1.500     1.500 peak  1521 weight  0.10000E+01 volume  0.55435E-03 ppm1      1.360 ppm2      7.359 CV     1
 ASSI { 1523}
   ((resid 99   and name HG3 ))
   ((resid 109  and name HA1 ))
      4.000     2.000     2.000 peak  1523 weight  0.10000E+01 volume  0.24030E-03 ppm1      1.362 ppm2      3.930 CV     1
 ASSI { 1525}
   ((resid 99   and name HD2 ))
   ((resid 110  and name HN  ))
      3.500     1.500     1.500 peak  1525 weight  0.10000E+01 volume  0.58218E-03 ppm1      1.098 ppm2      8.721 CV     1
 ASSI { 1528}
   ((resid 99   and name HD3 ))
   ((resid 99   and name HN  ))
      3.300     1.300     1.300 peak  1528 weight  0.10000E+01 volume  0.82681E-03 ppm1      0.759 ppm2      8.728 CV     1
 ASSI { 1529}
   ((resid 99   and name HD3 ))
   ((resid 100  and name HN  ))
      3.100     1.200     1.200 peak  1529 weight  0.10000E+01 volume  0.12186E-02 ppm1      0.761 ppm2      9.417 CV     1
 ASSI { 1530}
   ((resid 99   and name HA  ))
   ((resid 110  and name HA  ))
      2.200     0.600     0.600 peak  1530 weight  0.10000E+01 volume  0.79448E-02 ppm1      4.437 ppm2      5.642 CV     1
 ASSI { 1531}
   ((resid 99   and name HA  ))
   ((resid 99   and name HN  ))
      2.600     0.900     0.900 peak  1531 weight  0.10000E+01 volume  0.31375E-02 ppm1      4.435 ppm2      8.728 CV     1
 ASSI { 1532}
   ((resid 99   and name HA  ))
   ((resid 100  and name HN  ))
      2.000     0.500     0.500 peak  1532 weight  0.10000E+01 volume  0.14481E-01 ppm1      4.436 ppm2      9.419 CV     1
 ASSI { 1533}
   ((resid 99   and name HA  ))
   ((resid 111  and name HN  ))
      3.000     1.200     1.200 peak  1533 weight  0.10000E+01 volume  0.12486E-02 ppm1      4.436 ppm2      9.568 CV     1
 ASSI { 1534}
   ((resid 99   and name HA  ))
   ((resid 99   and name HD3 ))
      2.500     0.800     0.800 peak  1534 weight  0.10000E+01 volume  0.42183E-02 ppm1      4.435 ppm2      0.751 CV     1
 ASSI { 1535}
   ((resid 99   and name HA  ))
   ((resid 99   and name HD2 ))
      2.800     1.000     1.000 peak  1535 weight  0.10000E+01 volume  0.20751E-02 ppm1      4.434 ppm2      1.094 CV     1
 ASSI { 1536}
   ((resid 99   and name HA  ))
   ( resid 100  and name HB% )
      3.400     1.400     1.400 peak  1536 weight  0.10000E+01 volume  0.64450E-03 ppm1      4.436 ppm2      1.223 CV     1
 ASSI { 1537}
   ((resid 99   and name HA  ))
   ((resid 99   and name HG3 ))
      3.300     1.300     1.300 peak  1537 weight  0.10000E+01 volume  0.79727E-03 ppm1      4.437 ppm2      1.349 CV     1
 ASSI { 1538}
   ((resid 99   and name HA  ))
   ((resid 99   and name HB2 ))
      2.500     0.800     0.800 peak  1538 weight  0.10000E+01 volume  0.44627E-02 ppm1      4.435 ppm2      1.572 CV     1
 ASSI { 1539}
   ((resid 99   and name HA  ))
   ((resid 99   and name HB3 ))
      2.600     0.800     0.800 peak  1539 weight  0.10000E+01 volume  0.34977E-02 ppm1      4.437 ppm2      1.668 CV     1
 ASSI { 1540}
   ((resid 99   and name HB2 ))
   ((resid 92   and name HB3 ))
      3.000     1.100     1.100 peak  1540 weight  0.10000E+01 volume  0.13540E-02 ppm1      1.581 ppm2      2.041 CV     1
 ASSI { 1541}
   ((resid 99   and name HB2 ))
   ((resid 92   and name HB2 ))
      2.900     1.000     1.000 peak  1541 weight  0.10000E+01 volume  0.17690E-02 ppm1      1.579 ppm2      1.909 CV     1
 ASSI { 1542}
   ((resid 99   and name HB2 ))
   ((resid 99   and name HB3 ))
      1.900     0.400     0.400 peak  1542 weight  0.10000E+01 volume  0.24323E-01 ppm1      1.577 ppm2      1.658 CV     1
 ASSI { 1544}
   ((resid 99   and name HB2 ))
   ((resid 99   and name HG3 ))
      3.000     1.100     1.100 peak  1544 weight  0.10000E+01 volume  0.15004E-02 ppm1      1.581 ppm2      1.353 CV     1
 ASSI { 1545}
   ((resid 99   and name HB2 ))
   ((resid 91   and name HB2 ))
      3.400     1.400     1.400 peak  1545 weight  0.10000E+01 volume  0.65903E-03 ppm1      1.578 ppm2      1.238 CV     1
 ASSI { 1549}
   ((resid 99   and name HB3 ))
   ((resid 99   and name HD2 ))
      2.700     0.900     0.900 peak  1549 weight  0.10000E+01 volume  0.27076E-02 ppm1      1.662 ppm2      1.102 CV     1
 ASSI { 1550}
   ((resid 99   and name HB3 ))
   ((resid 91   and name HB2 ))
      2.800     1.000     1.000 peak  1550 weight  0.10000E+01 volume  0.20813E-02 ppm1      1.664 ppm2      1.241 CV     1
 ASSI { 1556}
   ((resid 99   and name HG3 ))
   ((resid 99   and name HD3 ))
      2.500     0.800     0.800 peak  1556 weight  0.10000E+01 volume  0.39029E-02 ppm1      1.362 ppm2      0.753 CV     1
 ASSI { 1557}
   ((resid 99   and name HG3 ))
   ((resid 99   and name HD2 ))
      2.200     0.600     0.600 peak  1557 weight  0.10000E+01 volume  0.92500E-02 ppm1      1.362 ppm2      1.091 CV     1
 ASSI { 1560}
   ((resid 99   and name HG3 ))
   ((resid 99   and name HE3 ))
      2.500     0.800     0.800 peak  1560 weight  0.10000E+01 volume  0.41425E-02 ppm1      1.363 ppm2      2.635 CV     1
 ASSI { 1561}
   ((resid 99   and name HG3 ))
   ((resid 91   and name HG  ))
      2.200     0.600     0.600 peak  1561 weight  0.10000E+01 volume  0.82092E-02 ppm1      1.358 ppm2      1.463 CV     1
 ASSI { 1562}
   ((resid 99   and name HG3 ))
   ((resid 99   and name HB3 ))
      2.400     0.700     0.700 peak  1562 weight  0.10000E+01 volume  0.47224E-02 ppm1      1.363 ppm2      1.647 CV     1
 ASSI { 1563}
   ((resid 99   and name HD2 ))
   ((resid 99   and name HD3 ))
      1.800     0.400     0.400 peak  1563 weight  0.10000E+01 volume  0.25329E-01 ppm1      1.097 ppm2      0.756 CV     1
 ASSI { 1567}
   ((resid 99   and name HD2 ))
   ((resid 99   and name HB2 ))
      2.700     0.900     0.900 peak  1567 weight  0.10000E+01 volume  0.24911E-02 ppm1      1.098 ppm2      1.560 CV     1
 ASSI { 1572}
   ((resid 99   and name HD3 ))
   ((resid 99   and name HB2 ))
      2.500     0.800     0.800 peak  1572 weight  0.10000E+01 volume  0.45662E-02 ppm1      0.762 ppm2      1.557 CV     1
 ASSI { 1573}
   ((resid 99   and name HD3 ))
   ((resid 99   and name HB3 ))
      2.900     1.000     1.000 peak  1573 weight  0.10000E+01 volume  0.18586E-02 ppm1      0.764 ppm2      1.662 CV     1
 ASSI { 1574}
   ((resid 99   and name HE3 ))
   ( resid 110  and name HD% )
      3.500     1.500     1.500 peak  1574 weight  0.10000E+01 volume  0.55048E-03 ppm1      2.642 ppm2      7.344 CV     1
 ASSI { 1575}
   ((resid 99   and name HE2 ))
   ( resid 110  and name HD% )
      3.600     1.600     1.600 peak  1575 weight  0.10000E+01 volume  0.49837E-03 ppm1      2.575 ppm2      7.344 CV     1
 ASSI { 1576}
   ((resid 99   and name HE3 ))
   ( resid 91   and name HD1%)
      3.000     1.100     1.100 peak  1576 weight  0.10000E+01 volume  0.12955E-02 ppm1      2.644 ppm2      0.689 CV     1
 ASSI { 1577}
   ((resid 99   and name HE2 ))
   ( resid 91   and name HD1%)
      2.900     1.100     1.100 peak  1577 weight  0.10000E+01 volume  0.15602E-02 ppm1      2.574 ppm2      0.687 CV     1
 ASSI { 1578}
   ((resid 99   and name HE2 ))
   ((resid 99   and name HD3 ))
      2.800     1.000     1.000 peak  1578 weight  0.10000E+01 volume  0.19236E-02 ppm1      2.574 ppm2      0.760 CV     1
 ASSI { 1579}
   ((resid 99   and name HE3 ))
   ((resid 99   and name HD3 ))
      3.400     1.400     1.400 peak  1579 weight  0.10000E+01 volume  0.67604E-03 ppm1      2.646 ppm2      0.760 CV     1
 ASSI { 1580}
   ((resid 99   and name HE3 ))
   ((resid 99   and name HD2 ))
      3.300     1.400     1.400 peak  1580 weight  0.10000E+01 volume  0.79109E-03 ppm1      2.645 ppm2      1.096 CV     1
 ASSI { 1581}
   ((resid 99   and name HE2 ))
   ((resid 99   and name HD2 ))
      3.200     1.300     1.300 peak  1581 weight  0.10000E+01 volume  0.86979E-03 ppm1      2.577 ppm2      1.094 CV     1
 ASSI { 1582}
   ((resid 99   and name HE2 ))
   ((resid 99   and name HG3 ))
      2.500     0.800     0.800 peak  1582 weight  0.10000E+01 volume  0.36431E-02 ppm1      2.572 ppm2      1.355 CV     1
 ASSI { 1584}
   ((resid 99   and name HE3 ))
   ((resid 99   and name HB2 ))
      3.700     1.700     1.700 peak  1584 weight  0.10000E+01 volume  0.42168E-03 ppm1      2.646 ppm2      1.559 CV     1
 ASSI { 1585}
   ((resid 99   and name HE2 ))
   ((resid 99   and name HB2 ))
      3.300     1.400     1.400 peak  1585 weight  0.10000E+01 volume  0.78274E-03 ppm1      2.574 ppm2      1.555 CV     1
 ASSI { 1586}
   ((resid 99   and name HE2 ))
   ((resid 108  and name HB3 ))
      3.600     1.600     1.600 peak  1586 weight  0.10000E+01 volume  0.45090E-03 ppm1      2.578 ppm2      1.805 CV     1
 ASSI { 1587}
   ((resid 99   and name HE3 ))
   ((resid 108  and name HB3 ))
      3.700     1.700     1.700 peak  1587 weight  0.10000E+01 volume  0.38502E-03 ppm1      2.645 ppm2      1.814 CV     1
 ASSI { 1588}
   ((resid 97   and name HB3 ))
   ((resid 98   and name HN  ))
      3.100     1.200     1.200 peak  1588 weight  0.10000E+01 volume  0.12171E-02 ppm1      2.947 ppm2      9.014 CV     1
 ASSI { 1589}
   ((resid 97   and name HB3 ))
   ((resid 97   and name HN  ))
      2.700     0.900     0.900 peak  1589 weight  0.10000E+01 volume  0.26364E-02 ppm1      2.945 ppm2      7.747 CV     1
 ASSI { 1590}
   ((resid 97   and name HB3 ))
   ((resid 97   and name HE3 ))
      2.900     1.100     1.100 peak  1590 weight  0.10000E+01 volume  0.16654E-02 ppm1      2.947 ppm2      7.131 CV     1
 ASSI { 1593}
   ((resid 96   and name HG3 ))
   ((resid 96   and name HN  ))
      3.200     1.300     1.300 peak  1593 weight  0.10000E+01 volume  0.96551E-03 ppm1      1.746 ppm2      8.632 CV     1
 ASSI { 1594}
   ((resid 96   and name HG3 ))
   ((resid 97   and name HN  ))
      4.200     2.200     1.800 peak  1594 weight  0.10000E+01 volume  0.18292E-03 ppm1      1.747 ppm2      7.743 CV     1
 ASSI { 1597}
   ((resid 96   and name HG3 ))
   ( resid 113  and name HD% )
      3.600     1.600     1.600 peak  1597 weight  0.10000E+01 volume  0.45430E-03 ppm1      1.744 ppm2      6.914 CV     1
 ASSI { 1601}
   ((resid 96   and name HG2 ))
   ((resid 96   and name HN  ))
      3.200     1.300     1.300 peak  1601 weight  0.10000E+01 volume  0.96458E-03 ppm1      1.972 ppm2      8.630 CV     1
 ASSI { 1602}
   ((resid 96   and name HG2 ))
   ((resid 97   and name HN  ))
      4.300     2.400     1.700 peak  1602 weight  0.10000E+01 volume  0.14767E-03 ppm1      1.973 ppm2      7.750 CV     1
 ASSI { 1604}
   ((resid 96   and name HG2 ))
   ((resid 97   and name HD1 ))
      4.000     2.000     2.000 peak  1604 weight  0.10000E+01 volume  0.24416E-03 ppm1      1.975 ppm2      7.090 CV     1
 ASSI { 1605}
   ((resid 96   and name HG2 ))
   ( resid 113  and name HD% )
      3.700     1.700     1.700 peak  1605 weight  0.10000E+01 volume  0.38348E-03 ppm1      1.974 ppm2      6.910 CV     1
 ASSI { 1608}
   ((resid 96   and name HG2 ))
   ((resid 96   and name HB3 ))
      1.800     0.400     0.400 peak  1608 weight  0.10000E+01 volume  0.34529E-01 ppm1      1.973 ppm2      1.729 CV     1
 OR { 1608}
   ((resid 96   and name HG2 ))
   ((resid 96   and name HB2 ))
 ASSI { 1610}
   ((resid 96   and name HB3 ))
   ((resid 96   and name HN  ))
      3.000     1.100     1.100 peak  1610 weight  0.10000E+01 volume  0.13166E-02 ppm1      1.711 ppm2      8.625 CV     1
 ASSI { 1613}
   ((resid 96   and name HB3 ))
   ((resid 97   and name HD1 ))
      3.700     1.700     1.700 peak  1613 weight  0.10000E+01 volume  0.36524E-03 ppm1      1.706 ppm2      7.091 CV     1
 ASSI { 1614}
   ((resid 96   and name HB3 ))
   ( resid 113  and name HD% )
      3.500     1.500     1.500 peak  1614 weight  0.10000E+01 volume  0.55141E-03 ppm1      1.711 ppm2      6.910 CV     1
 ASSI { 1619}
   ((resid 95   and name HA2 ))
   ((resid 96   and name HB3 ))
      3.600     1.600     1.600 peak  1619 weight  0.10000E+01 volume  0.49296E-03 ppm1      3.760 ppm2      1.714 CV     1
 OR { 1619}
   ((resid 95   and name HA2 ))
   ((resid 96   and name HB2 ))
 ASSI { 1620}
   ((resid 95   and name HA2 ))
   ((resid 96   and name HG2 ))
      4.500     2.500     1.500 peak  1620 weight  0.10000E+01 volume  0.12510E-03 ppm1      3.759 ppm2      1.961 CV     1
 ASSI { 1621}
   ((resid 95   and name HA1 ))
   ((resid 96   and name HB3 ))
      3.800     1.800     1.800 peak  1621 weight  0.10000E+01 volume  0.34374E-03 ppm1      4.071 ppm2      1.707 CV     1
 OR { 1621}
   ((resid 95   and name HA1 ))
   ((resid 96   and name HB2 ))
 ASSI { 1622}
   ((resid 95   and name HA1 ))
   ((resid 96   and name HG2 ))
      4.000     2.000     2.000 peak  1622 weight  0.10000E+01 volume  0.25313E-03 ppm1      4.070 ppm2      1.968 CV     1
 ASSI { 1623}
   ((resid 95   and name HA1 ))
   ((resid 97   and name HN  ))
      3.200     1.300     1.300 peak  1623 weight  0.10000E+01 volume  0.94030E-03 ppm1      4.072 ppm2      7.746 CV     1
 ASSI { 1624}
   ((resid 95   and name HA1 ))
   ((resid 96   and name HN  ))
      2.400     0.700     0.700 peak  1624 weight  0.10000E+01 volume  0.46667E-02 ppm1      4.073 ppm2      8.630 CV     1
 ASSI { 1629}
   ((resid 94   and name HA  ))
   ((resid 94   and name HB2 ))
      2.400     0.700     0.700 peak  1629 weight  0.10000E+01 volume  0.56965E-02 ppm1      4.598 ppm2      3.846 CV     1
 ASSI { 1632}
   ((resid 94   and name HB2 ))
   ((resid 92   and name HG2 ))
      3.900     1.900     1.900 peak  1632 weight  0.10000E+01 volume  0.29302E-03 ppm1      3.848 ppm2      2.226 CV     1
 ASSI { 1633}
   ((resid 94   and name HB2 ))
   ((resid 92   and name HG3 ))
      3.900     1.900     1.900 peak  1633 weight  0.10000E+01 volume  0.27060E-03 ppm1      3.850 ppm2      2.143 CV     1
 ASSI { 1634}
   ((resid 94   and name HB2 ))
   ((resid 92   and name HB3 ))
      3.800     1.800     1.800 peak  1634 weight  0.10000E+01 volume  0.34390E-03 ppm1      3.849 ppm2      2.036 CV     1
 ASSI { 1639}
   ((resid 93   and name HB3 ))
   ((resid 93   and name HE22))
      3.900     1.900     1.900 peak  1639 weight  0.10000E+01 volume  0.28142E-03 ppm1      1.144 ppm2      5.906 CV     1
 ASSI { 1641}
   ((resid 93   and name HB3 ))
   ((resid 90   and name HB  ))
      3.300     1.400     1.400 peak  1641 weight  0.10000E+01 volume  0.75536E-03 ppm1      1.145 ppm2      1.979 CV     1
 ASSI { 1646}
   ((resid 93   and name HB2 ))
   ((resid 98   and name HE1 ))
      4.200     2.200     1.800 peak  1646 weight  0.10000E+01 volume  0.19112E-03 ppm1      0.968 ppm2      9.515 CV     1
 ASSI { 1648}
   ((resid 93   and name HB2 ))
   ((resid 94   and name HN  ))
      4.100     2.100     1.900 peak  1648 weight  0.10000E+01 volume  0.20442E-03 ppm1      0.967 ppm2      8.156 CV     1
 ASSI { 1649}
   ((resid 93   and name HB2 ))
   ((resid 98   and name HD1 ))
      4.200     2.200     1.800 peak  1649 weight  0.10000E+01 volume  0.18092E-03 ppm1      0.970 ppm2      6.878 CV     1
 ASSI { 1650}
   ((resid 93   and name HB2 ))
   ((resid 93   and name HE22))
      4.400     2.400     1.600 peak  1650 weight  0.10000E+01 volume  0.13391E-03 ppm1      0.972 ppm2      5.899 CV     1
 ASSI { 1653}
   ((resid 93   and name HB2 ))
   ((resid 93   and name HB3 ))
      1.800     0.400     0.400 peak  1653 weight  0.10000E+01 volume  0.27184E-01 ppm1      0.970 ppm2      1.137 CV     1
 ASSI { 1655}
   ((resid 93   and name HB2 ))
   ((resid 93   and name HG2 ))
      2.300     0.600     0.600 peak  1655 weight  0.10000E+01 volume  0.71408E-02 ppm1      0.970 ppm2      0.788 CV     1
 ASSI { 1656}
   ((resid 93   and name HB2 ))
   ( resid 90   and name HG2%)
      2.800     1.000     1.000 peak  1656 weight  0.10000E+01 volume  0.19406E-02 ppm1      0.969 ppm2      0.544 CV     1
 ASSI { 1657}
   ((resid 93   and name HG2 ))
   ((resid 93   and name HN  ))
      3.300     1.400     1.400 peak  1657 weight  0.10000E+01 volume  0.77393E-03 ppm1      0.973 ppm2      8.578 CV     1
 ASSI { 1659}
   ((resid 93   and name HG2 ))
   ((resid 98   and name HE3 ))
      4.200     2.200     1.800 peak  1659 weight  0.10000E+01 volume  0.19236E-03 ppm1      0.972 ppm2      7.227 CV     1
 ASSI { 1660}
   ((resid 93   and name HG2 ))
   ((resid 93   and name HE21))
      4.000     2.000     2.000 peak  1660 weight  0.10000E+01 volume  0.25762E-03 ppm1      0.973 ppm2      6.511 CV     1
 ASSI { 1661}
   ((resid 93   and name HG2 ))
   ((resid 93   and name HE22))
      3.900     1.900     1.900 peak  1661 weight  0.10000E+01 volume  0.26751E-03 ppm1      0.971 ppm2      5.899 CV     1
 ASSI { 1662}
   ((resid 93   and name HG2 ))
   ((resid 93   and name HA  ))
      2.900     1.000     1.000 peak  1662 weight  0.10000E+01 volume  0.17690E-02 ppm1      0.972 ppm2      3.585 CV     1
 ASSI { 1663}
   ((resid 93   and name HG2 ))
   ((resid 93   and name HB3 ))
      2.000     0.500     0.500 peak  1663 weight  0.10000E+01 volume  0.15387E-01 ppm1      0.973 ppm2      1.136 CV     1
 ASSI { 1668}
   ((resid 93   and name HG3 ))
   ((resid 93   and name HN  ))
      3.500     1.500     1.500 peak  1668 weight  0.10000E+01 volume  0.57987E-03 ppm1      0.805 ppm2      8.578 CV     1
 ASSI { 1670}
   ((resid 93   and name HG3 ))
   ((resid 98   and name HE3 ))
      4.400     2.400     1.600 peak  1670 weight  0.10000E+01 volume  0.13468E-03 ppm1      0.807 ppm2      7.221 CV     1
 ASSI { 1671}
   ((resid 93   and name HG3 ))
   ((resid 93   and name HE21))
      3.500     1.500     1.500 peak  1671 weight  0.10000E+01 volume  0.54677E-03 ppm1      0.801 ppm2      6.509 CV     1
 ASSI { 1672}
   ((resid 93   and name HG3 ))
   ((resid 93   and name HE22))
      3.500     1.500     1.500 peak  1672 weight  0.10000E+01 volume  0.58249E-03 ppm1      0.800 ppm2      5.915 CV     1
 ASSI { 1674}
   ((resid 93   and name HG2 ))
   ((resid 92   and name HG3 ))
      3.200     1.300     1.300 peak  1674 weight  0.10000E+01 volume  0.86314E-03 ppm1      0.803 ppm2      2.127 CV     1
 ASSI { 1675}
   ((resid 93   and name HG3 ))
   ((resid 93   and name HB3 ))
      2.300     0.600     0.600 peak  1675 weight  0.10000E+01 volume  0.71160E-02 ppm1      0.803 ppm2      1.132 CV     1
 ASSI { 1680}
   ((resid 92   and name HB2 ))
   ((resid 99   and name HN  ))
      3.000     1.100     1.100 peak  1680 weight  0.10000E+01 volume  0.14707E-02 ppm1      1.915 ppm2      8.707 CV     1
 ASSI { 1682}
   ((resid 92   and name HB2 ))
   ((resid 92   and name HN  ))
      2.800     1.000     1.000 peak  1682 weight  0.10000E+01 volume  0.18633E-02 ppm1      1.918 ppm2      7.670 CV     1
 ASSI { 1686}
   ((resid 92   and name HB2 ))
   ((resid 92   and name HA  ))
      2.700     0.900     0.900 peak  1686 weight  0.10000E+01 volume  0.25931E-02 ppm1      1.913 ppm2      4.296 CV     1
 ASSI { 1689}
   ((resid 91   and name HB3 ))
   ((resid 100  and name HA  ))
      3.700     1.700     1.700 peak  1689 weight  0.10000E+01 volume  0.38812E-03 ppm1      1.565 ppm2      5.449 CV     1
 ASSI { 1690}
   ((resid 91   and name HB3 ))
   ((resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1690 weight  0.10000E+01 volume  0.37667E-02 ppm1      1.565 ppm2      4.333 CV     1
 ASSI { 1691}
   ((resid 91   and name HB3 ))
   ((resid 92   and name HG3 ))
      3.800     1.800     1.800 peak  1691 weight  0.10000E+01 volume  0.30802E-03 ppm1      1.567 ppm2      2.134 CV     1
 ASSI { 1692}
   ((resid 91   and name HB3 ))
   ( resid 91   and name HD1%)
      2.200     0.600     0.600 peak  1692 weight  0.10000E+01 volume  0.80361E-02 ppm1      1.565 ppm2      0.675 CV     1
 OR { 1692}
   ((resid 91   and name HB3 ))
   ( resid 91   and name HD2%)
 ASSI { 1696}
   ((resid 91   and name HB2 ))
   ((resid 91   and name HA  ))
      2.600     0.800     0.800 peak  1696 weight  0.10000E+01 volume  0.35209E-02 ppm1      1.244 ppm2      4.338 CV     1
 ASSI { 1697}
   ((resid 91   and name HB2 ))
   ((resid 92   and name HG3 ))
      3.900     1.900     1.900 peak  1697 weight  0.10000E+01 volume  0.27524E-03 ppm1      1.246 ppm2      2.135 CV     1
 ASSI { 1698}
   ((resid 91   and name HB2 ))
   ((resid 100  and name HA  ))
      5.800     1.700     1.700 peak  1698 weight  0.10000E+01 volume  0.42075E-03 ppm1      1.244 ppm2      5.453 CV     1
 ASSI { 1699}
   ((resid 91   and name HB2 ))
   ( resid 91   and name HD1%)
      2.100     0.600     0.600 peak  1699 weight  0.10000E+01 volume  0.11508E-01 ppm1      1.241 ppm2      0.669 CV     1
 ASSI { 1700}
   ((resid 91   and name HB2 ))
   ((resid 91   and name HB3 ))
      1.700     0.400     0.500 peak  1700 weight  0.10000E+01 volume  0.44642E-01 ppm1      1.242 ppm2      1.555 CV     1
 ASSI { 1703}
   ((resid 91   and name HG  ))
   ((resid 101  and name HN  ))
      3.100     1.200     1.200 peak  1703 weight  0.10000E+01 volume  0.10600E-02 ppm1      1.463 ppm2      8.967 CV     1
 ASSI { 1704}
   ((resid 91   and name HG  ))
   ((resid 92   and name HN  ))
      3.700     1.700     1.700 peak  1704 weight  0.10000E+01 volume  0.39601E-03 ppm1      1.460 ppm2      7.665 CV     1
 ASSI { 1705}
   ((resid 91   and name HG  ))
   ((resid 100  and name HA  ))
      2.600     0.900     0.900 peak  1705 weight  0.10000E+01 volume  0.31513E-02 ppm1      1.462 ppm2      5.446 CV     1
 ASSI { 1706}
   ((resid 91   and name HG  ))
   ((resid 91   and name HA  ))
      2.500     0.800     0.800 peak  1706 weight  0.10000E+01 volume  0.42493E-02 ppm1      1.466 ppm2      4.332 CV     1
 ASSI { 1707}
   ((resid 91   and name HG  ))
   ((resid 90   and name HA  ))
      3.000     1.100     1.100 peak  1707 weight  0.10000E+01 volume  0.13363E-02 ppm1      1.468 ppm2      4.243 CV     1
 ASSI { 1709}
   ((resid 91   and name HA  ))
   ((resid 92   and name HN  ))
      3.000     1.100     1.100 peak  1709 weight  0.10000E+01 volume  0.14096E-02 ppm1      4.348 ppm2      7.672 CV     1
 ASSI { 1711}
   ((resid 90   and name HG13))
   ((resid 98   and name HE3 ))
      2.900     1.100     1.100 peak  1711 weight  0.10000E+01 volume  0.16175E-02 ppm1      1.270 ppm2      7.220 CV     1
 ASSI { 1712}
   ((resid 90   and name HG13))
   ((resid 98   and name HZ3 ))
      3.400     1.500     1.500 peak  1712 weight  0.10000E+01 volume  0.59718E-03 ppm1      1.269 ppm2      6.882 CV     1
 ASSI { 1713}
   ((resid 90   and name HG13))
   ((resid 90   and name HA  ))
      3.400     1.500     1.500 peak  1713 weight  0.10000E+01 volume  0.59996E-03 ppm1      1.269 ppm2      4.253 CV     1
 ASSI { 1715}
   ((resid 90   and name HG13))
   ((resid 90   and name HG12))
      1.700     0.400     0.500 peak  1715 weight  0.10000E+01 volume  0.35054E-01 ppm1      1.272 ppm2      1.560 CV     1
 ASSI { 1716}
   ((resid 90   and name HG13))
   ( resid 90   and name HD1%)
      2.100     0.500     0.500 peak  1716 weight  0.10000E+01 volume  0.12693E-01 ppm1      1.268 ppm2      0.749 CV     1
 ASSI { 1719}
   ((resid 90   and name HG12))
   ((resid 98   and name HE3 ))
      3.400     1.500     1.500 peak  1719 weight  0.10000E+01 volume  0.60661E-03 ppm1      1.572 ppm2      7.216 CV     1
 ASSI { 1720}
   ((resid 90   and name HG12))
   ( resid 90   and name HG2%)
      2.300     0.700     0.700 peak  1720 weight  0.10000E+01 volume  0.68563E-02 ppm1      1.571 ppm2      0.568 CV     1
 ASSI { 1726}
   ((resid 90   and name HB  ))
   ((resid 64   and name HD21))
      3.400     1.500     1.500 peak  1726 weight  0.10000E+01 volume  0.60460E-03 ppm1      1.973 ppm2      7.326 CV     1
 ASSI { 1729}
   ((resid 90   and name HB  ))
   ((resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1729 weight  0.10000E+01 volume  0.24370E-02 ppm1      1.972 ppm2      2.967 CV     1
 ASSI { 1731}
   ((resid 90   and name HB  ))
   ( resid 90   and name HG2%)
      2.100     0.600     0.600 peak  1731 weight  0.10000E+01 volume  0.11174E-01 ppm1      1.972 ppm2      0.543 CV     1
 ASSI { 1733}
   ((resid 90   and name HB  ))
   ((resid 90   and name HG13))
      2.300     0.600     0.600 peak  1733 weight  0.10000E+01 volume  0.72521E-02 ppm1      1.970 ppm2      1.264 CV     1
 ASSI { 1734}
   ((resid 90   and name HB  ))
   ((resid 90   and name HG12))
      2.400     0.700     0.700 peak  1734 weight  0.10000E+01 volume  0.47409E-02 ppm1      1.971 ppm2      1.565 CV     1
 ASSI { 1736}
   ((resid 89   and name HD2 ))
   ((resid 101  and name HN  ))
      4.200     2.200     1.800 peak  1736 weight  0.10000E+01 volume  0.17349E-03 ppm1      3.171 ppm2      8.954 CV     1
 ASSI { 1737}
   ((resid 89   and name HD2 ))
   ((resid 89   and name HE  ))
      2.700     0.900     0.900 peak  1737 weight  0.10000E+01 volume  0.25669E-02 ppm1      3.173 ppm2      7.591 CV     1
 ASSI { 1738}
   ((resid 89   and name HD3 ))
   ((resid 89   and name HE  ))
      2.800     1.000     1.000 peak  1738 weight  0.10000E+01 volume  0.19174E-02 ppm1      3.126 ppm2      7.590 CV     1
 ASSI { 1739}
   ((resid 89   and name HD3 ))
   ((resid 101  and name HE22))
      2.800     1.000     1.000 peak  1739 weight  0.10000E+01 volume  0.19313E-02 ppm1      3.126 ppm2      6.767 CV     1
 ASSI { 1740}
   ((resid 89   and name HD2 ))
   ((resid 101  and name HE22))
      2.800     1.000     1.000 peak  1740 weight  0.10000E+01 volume  0.21834E-02 ppm1      3.172 ppm2      6.767 CV     1
 ASSI { 1741}
   ((resid 89   and name HD2 ))
   ( resid 91   and name HD2%)
      4.00     1.000     1.000 peak  1741 weight  0.10000E+01 volume  0.29503E-02 ppm1      3.168 ppm2      0.670 CV     1
 ASSI { 1744}
   ((resid 89   and name HD3 ))
   ((resid 89   and name HG2 ))
      2.700     0.900     0.900 peak  1744 weight  0.10000E+01 volume  0.28096E-02 ppm1      3.129 ppm2      1.282 CV     1
 ASSI { 1745}
   ((resid 89   and name HD2 ))
   ( resid 103  and name HD2%)
      3.200     1.300     1.300 peak  1745 weight  0.10000E+01 volume  0.94309E-03 ppm1      3.169 ppm2      0.802 CV     1
 ASSI { 1746}
   ((resid 89   and name HD3 ))
   ( resid 103  and name HD2%)
      3.100     1.200     1.200 peak  1746 weight  0.10000E+01 volume  0.11240E-02 ppm1      3.127 ppm2      0.802 CV     1
 ASSI { 1747}
   ((resid 89   and name HD2 ))
   ((resid 89   and name HG3 ))
      2.400     0.700     0.700 peak  1747 weight  0.10000E+01 volume  0.52373E-02 ppm1      3.172 ppm2      1.443 CV     1
 ASSI { 1748}
   ((resid 89   and name HD3 ))
   ((resid 89   and name HG3 ))
      2.700     0.900     0.900 peak  1748 weight  0.10000E+01 volume  0.27107E-02 ppm1      3.126 ppm2      1.448 CV     1
 ASSI { 1749}
   ((resid 89   and name HD2 ))
   ((resid 101  and name HB3 ))
     6.00     1.300     1.300 peak  1749 weight  0.10000E+01 volume  0.87644E-03 ppm1      3.170 ppm2      1.951 CV     1
 ASSI { 1750}
   ((resid 89   and name HD3 ))
   ((resid 101  and name HB3 ))
      3.600     1.600     1.600 peak  1750 weight  0.10000E+01 volume  0.46853E-03 ppm1      3.121 ppm2      1.951 CV     1
 ASSI { 1752}
   ((resid 89   and name HD3 ))
   ((resid 89   and name HD2 ))
      1.400     0.200     0.800 peak  1752 weight  0.10000E+01 volume  0.16375E+00 ppm1      3.123 ppm2      3.138 CV     1
 ASSI { 1754}
   ((resid 89   and name HG2 ))
   ((resid 89   and name HN  ))
      3.200     1.300     1.300 peak  1754 weight  0.10000E+01 volume  0.89252E-03 ppm1      1.287 ppm2      8.752 CV     1
 ASSI { 1755}
   ((resid 89   and name HG2 ))
   ((resid 89   and name HE  ))
      3.500     1.500     1.500 peak  1755 weight  0.10000E+01 volume  0.58930E-03 ppm1      1.284 ppm2      7.580 CV     1
 ASSI { 1756}
   ((resid 89   and name HG2 ))
   ((resid 89   and name HD2 ))
      2.300     0.600     0.600 peak  1756 weight  0.10000E+01 volume  0.74918E-02 ppm1      1.288 ppm2      3.151 CV     1
 ASSI { 1760}
   ((resid 89   and name HG2 ))
   ((resid 89   and name HG3 ))
      1.800     0.400     0.400 peak  1760 weight  0.10000E+01 volume  0.34096E-01 ppm1      1.286 ppm2      1.454 CV     1
 ASSI { 1761}
   ((resid 89   and name HG2 ))
   ((resid 89   and name HB3 ))
      2.200     0.600     0.600 peak  1761 weight  0.10000E+01 volume  0.84737E-02 ppm1      1.286 ppm2      1.672 CV     1
 ASSI { 1762}
   ((resid 89   and name HG2 ))
   ((resid 89   and name HB2 ))
      2.400     0.700     0.700 peak  1762 weight  0.10000E+01 volume  0.46497E-02 ppm1      1.286 ppm2      1.587 CV     1
 ASSI { 1763}
   ((resid 89   and name HG2 ))
   ((resid 101  and name HB3 ))
      3.100     1.200     1.200 peak  1763 weight  0.10000E+01 volume  0.10525E-02 ppm1      1.286 ppm2      1.957 CV     1
 ASSI { 1764}
   ((resid 89   and name HB2 ))
   ((resid 90  and name HN  ))
      3.500     1.000     1.000 peak  1764 weight  0.10000E+01 volume  0.18617E-02 ppm1      1.614 ppm2      8.958 CV     1
 ASSI { 1767}
   ((resid 89   and name HB2 ))
   ((resid 89   and name HE  ))
      3.500     1.500     1.500 peak  1767 weight  0.10000E+01 volume  0.53703E-03 ppm1      1.612 ppm2      7.597 CV     1
 ASSI { 1768}
   ((resid 89   and name HB3 ))
   ((resid 101  and name HN  ))
      3.100     1.200     1.200 peak  1768 weight  0.10000E+01 volume  0.10382E-02 ppm1      1.680 ppm2      8.960 CV     1
 ASSI { 1771}
   ((resid 89   and name HB3 ))
   ((resid 89   and name HE  ))
      3.900     1.900     1.900 peak  1771 weight  0.10000E+01 volume  0.27478E-03 ppm1      1.680 ppm2      7.594 CV     1
 ASSI { 1772}
   ((resid 89   and name HB3 ))
   ((resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1772 weight  0.10000E+01 volume  0.11064E-02 ppm1      1.675 ppm2      4.994 CV     1
 ASSI { 1775}
   ((resid 89   and name HB2 ))
   ((resid 89   and name HD2 ))
      2.600     0.800     0.800 peak  1775 weight  0.10000E+01 volume  0.34111E-02 ppm1      1.612 ppm2      3.131 CV     1
 ASSI { 1776}
   ((resid 89   and name HB3 ))
   ((resid 89   and name HD2 ))
      2.500     0.800     0.800 peak  1776 weight  0.10000E+01 volume  0.38750E-02 ppm1      1.677 ppm2      3.131 CV     1
 ASSI { 1779}
   ((resid 89   and name HB3 ))
   ( resid 91   and name HD2%)
      3.400     1.500     1.500 peak  1779 weight  0.10000E+01 volume  0.60042E-03 ppm1      1.612 ppm2      0.670 CV     1
 ASSI { 1780}
   ((resid 89   and name HB2 ))
   ( resid 103  and name HD2%)
      2.400     0.700     0.700 peak  1780 weight  0.10000E+01 volume  0.58558E-02 ppm1      1.611 ppm2      0.797 CV     1
 ASSI { 1781}
   ((resid 89   and name HB3 ))
   ( resid 103  and name HD2%)
      2.700     0.900     0.900 peak  1781 weight  0.10000E+01 volume  0.27338E-02 ppm1      1.676 ppm2      0.791 CV     1
 ASSI { 1787}
   ((resid 89   and name HB2 ))
   ((resid 89   and name HB3 ))
      1.700     0.400     0.500 peak  1787 weight  0.10000E+01 volume  0.35256E-01 ppm1      1.610 ppm2      1.669 CV     1
 ASSI { 1792}
   ((resid 88   and name HG  ))
   ((resid 86   and name HG3 ))
      3.300     1.400     1.400 peak  1792 weight  0.10000E+01 volume  0.72738E-03 ppm1      1.334 ppm2      2.364 CV     1
 ASSI { 1793}
   ((resid 88   and name HB2 ))
   ((resid 88   and name HN  ))
      2.500     0.800     0.800 peak  1793 weight  0.10000E+01 volume  0.39616E-02 ppm1      1.164 ppm2      8.758 CV     1
 ASSI { 1794}
   ((resid 88   and name HB3 ))
   ((resid 88   and name HN  ))
      3.500     0.900     0.900 peak  1794 weight  0.10000E+01 volume  0.23535E-02 ppm1      1.096 ppm2      8.757 CV     1
 ASSI { 1795}
   ((resid 88   and name HB3 ))
   ((resid 101  and name HN  ))
      3.300     1.400     1.400 peak  1795 weight  0.10000E+01 volume  0.70929E-03 ppm1      1.091 ppm2      8.961 CV     1
 ASSI { 1797}
   ((resid 88   and name HB2 ))
   ((resid 66   and name HN  ))
      3.800     1.800     1.800 peak  1797 weight  0.10000E+01 volume  0.33647E-03 ppm1      1.161 ppm2      9.052 CV     1
 ASSI { 1800}
   ((resid 87   and name HG2 ))
   ((resid 88   and name HN  ))
      3.400     1.400     1.400 peak  1800 weight  0.10000E+01 volume  0.67125E-03 ppm1      2.099 ppm2      8.775 CV     1
 ASSI { 1801}
   ((resid 87   and name HG2 ))
   ((resid 87   and name HN  ))
      3.100     1.200     1.200 peak  1801 weight  0.10000E+01 volume  0.11069E-02 ppm1      2.098 ppm2      8.425 CV     1
 ASSI { 1804}
   ((resid 87   and name HG2 ))
   ((resid 87   and name HA  ))
      2.600     0.900     0.900 peak  1804 weight  0.10000E+01 volume  0.29364E-02 ppm1      2.097 ppm2      5.233 CV     1
 ASSI { 1805}
   ((resid 87   and name HG2 ))
   ( resid 67   and name HG2%)
      3.100     1.200     1.200 peak  1805 weight  0.10000E+01 volume  0.12300E-02 ppm1      2.096 ppm2      0.766 CV     1
 ASSI { 1806}
   ((resid 87   and name HG2 ))
   ( resid 67   and name HD1%)
      2.900     1.000     1.000 peak  1806 weight  0.10000E+01 volume  0.17041E-02 ppm1      2.099 ppm2      0.817 CV     1
 ASSI { 1809}
   ((resid 87   and name HG2 ))
   ((resid 67   and name HG13))
      3.300     1.400     1.400 peak  1809 weight  0.10000E+01 volume  0.73356E-03 ppm1      2.097 ppm2      1.359 CV     1
 ASSI { 1811}
   ((resid 87   and name HG2 ))
   ((resid 87   and name HB2 ))
      2.500     0.800     0.800 peak  1811 weight  0.10000E+01 volume  0.45353E-02 ppm1      2.097 ppm2      2.000 CV     1
 ASSI { 1812}
   ((resid 87   and name HG2 ))
   ((resid 87   and name HB3 ))
      1.800     0.400     0.400 peak  1812 weight  0.10000E+01 volume  0.33724E-01 ppm1      2.099 ppm2      2.092 CV     1
 ASSI { 1813}
   ((resid 87   and name HG2 ))
   ((resid 87   and name HG3 ))
      1.800     0.400     0.400 peak  1813 weight  0.10000E+01 volume  0.26535E-01 ppm1      2.097 ppm2      2.458 CV     1
 ASSI { 1814}
   ((resid 87   and name HG3 ))
   ((resid 88   and name HN  ))
      3.300     1.400     1.400 peak  1814 weight  0.10000E+01 volume  0.71455E-03 ppm1      2.461 ppm2      8.766 CV     1
 ASSI { 1815}
   ((resid 87   and name HG3 ))
   ((resid 87   and name HN  ))
      3.000     1.100     1.100 peak  1815 weight  0.10000E+01 volume  0.14560E-02 ppm1      2.464 ppm2      8.423 CV     1
 ASSI { 1816}
   ((resid 87   and name HG3 ))
   ((resid 87   and name HE21))
      2.800     1.000     1.000 peak  1816 weight  0.10000E+01 volume  0.19437E-02 ppm1      2.461 ppm2      7.122 CV     1
 ASSI { 1817}
   ((resid 87   and name HG3 ))
   ((resid 87   and name HE22))
      3.600     1.600     1.600 peak  1817 weight  0.10000E+01 volume  0.48445E-03 ppm1      2.462 ppm2      6.717 CV     1
 ASSI { 1818}
   ((resid 87   and name HG3 ))
   ((resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1818 weight  0.10000E+01 volume  0.23164E-02 ppm1      2.460 ppm2      5.231 CV     1
 ASSI { 1819}
   ((resid 87   and name HG3 ))
   ((resid 86   and name HA  ))
      3.400     1.500     1.500 peak  1819 weight  0.10000E+01 volume  0.59424E-03 ppm1      2.464 ppm2      4.179 CV     1
 ASSI { 1822}
   ((resid 87   and name HG3 ))
   ((resid 87   and name HB3 ))
      2.800     0.400     0.400 peak  1822 weight  0.10000E+01 volume  0.31235E-01 ppm1      2.461 ppm2      2.080 CV     1
 ASSI { 1825}
   ((resid 87   and name HG3 ))
   ((resid 67   and name HB  ))
      4.100     2.100     1.900 peak  1825 weight  0.10000E+01 volume  0.22173E-03 ppm1      2.459 ppm2      1.536 CV     1
 ASSI { 1826}
   ((resid 87   and name HG3 ))
   ((resid 67   and name HG13))
      3.400     1.500     1.500 peak  1826 weight  0.10000E+01 volume  0.62749E-03 ppm1      2.460 ppm2      1.357 CV     1
 ASSI { 1827}
   ((resid 87   and name HG3 ))
   ((resid 67   and name HG12))
      3.900     1.900     1.900 peak  1827 weight  0.10000E+01 volume  0.30184E-03 ppm1      2.464 ppm2      1.029 CV     1
 ASSI { 1828}
   ((resid 87   and name HG3 ))
   ( resid 67   and name HG2%)
      4.600     1.800     0.800 peak  1828 weight  0.10000E+01 volume  0.33014E-02 ppm1      2.461 ppm2      0.791 CV     1
 ASSI { 1831}
   ((resid 87   and name HB2 ))
   ((resid 87   and name HE21))
      3.900     1.900     1.900 peak  1831 weight  0.10000E+01 volume  0.27416E-03 ppm1      2.003 ppm2      7.118 CV     1
 ASSI { 1832}
   ((resid 87   and name HB2 ))
   ((resid 87   and name HE22))
      4.000     2.000     2.000 peak  1832 weight  0.10000E+01 volume  0.25019E-03 ppm1      2.000 ppm2      6.706 CV     1
 ASSI { 1834}
   ((resid 87   and name HB2 ))
   ((resid 86   and name HA  ))
      5.100     1.200     1.200 peak  1834 weight  0.10000E+01 volume  0.11012E-02 ppm1      2.008 ppm2      4.180 CV     1
 ASSI { 1835}
   ((resid 87   and name HB2 ))
   ((resid 87   and name HG3 ))
      2.200     0.600     0.600 peak  1835 weight  0.10000E+01 volume  0.85571E-02 ppm1      2.004 ppm2      2.452 CV     1
 ASSI { 1836}
   ((resid 87   and name HB2 ))
   ((resid 103  and name HB3 ))
      2.600     0.800     1.800 peak  1836 weight  0.10000E+01 volume  0.34715E-02 ppm1      2.005 ppm2      1.713 CV     1
 ASSI { 1837}
   ((resid 87   and name HB2 ))
   ( resid 103  and name HD1%)
      2.200     0.600     0.600 peak  1837 weight  0.10000E+01 volume  0.81196E-02 ppm1      2.002 ppm2      0.823 CV     1
 ASSI { 1838}
   ((resid 87   and name HB2 ))
   ((resid 67   and name HG13))
      3.600     1.600     1.600 peak  1838 weight  0.10000E+01 volume  0.44379E-03 ppm1      2.003 ppm2      1.357 CV     1
 ASSI { 1840}
   ((resid 85   and name HA1 ))
   ((resid 68   and name HN  ))
      4.400     2.400     1.600 peak  1840 weight  0.10000E+01 volume  0.14365E-03 ppm1      3.490 ppm2      8.539 CV     1
 ASSI { 1844}
   ((resid 85   and name HA1 ))
   ( resid 68   and name HB% )
      3.000     1.200     1.200 peak  1844 weight  0.10000E+01 volume  0.12451E-02 ppm1      3.490 ppm2      1.659 CV     1
 ASSI { 1845}
   ((resid 85   and name HA1 ))
   ((resid 67   and name HB  ))
      4.100     2.200     1.900 peak  1845 weight  0.10000E+01 volume  0.19591E-03 ppm1      3.494 ppm2      1.564 CV     1
 ASSI { 1846}
   ((resid 85   and name HA1 ))
   ((resid 67   and name HG13))
      3.600     1.600     1.600 peak  1846 weight  0.10000E+01 volume  0.46946E-03 ppm1      3.491 ppm2      1.332 CV     1
 ASSI { 1847}
   ((resid 85   and name HA1 ))
   ((resid 84   and name HG3 ))
      3.400     1.400     1.400 peak  1847 weight  0.10000E+01 volume  0.69382E-03 ppm1      3.492 ppm2      1.183 CV     1
 ASSI { 1848}
   ((resid 85   and name HA1 ))
   ((resid 67   and name HG12))
      3.300     1.300     1.300 peak  1848 weight  0.10000E+01 volume  0.83840E-03 ppm1      3.493 ppm2      1.036 CV     1
 ASSI { 1849}
   ((resid 85   and name HA1 ))
   ( resid 67   and name HG2%)
      2.600     0.800     0.800 peak  1849 weight  0.10000E+01 volume  0.36214E-02 ppm1      3.489 ppm2      0.771 CV     1
 ASSI { 1852}
   ((resid 85   and name HA2 ))
   ((resid 85   and name HA1 ))
      1.700     0.300     0.500 peak  1852 weight  0.10000E+01 volume  0.46327E-01 ppm1      4.365 ppm2      3.485 CV     1
 ASSI { 1854}
   ((resid 85   and name HA2 ))
   ( resid 68   and name HB% )
      6.000     1.300     1.300 peak  1854 weight  0.10000E+01 volume  0.88757E-03 ppm1      4.364 ppm2      1.665 CV     1
 ASSI { 1855}
   ((resid 85   and name HA2 ))
   ((resid 67   and name HG13))
      6.000     2.000     1.000 peak  1855 weight  0.10000E+01 volume  0.23210E-03 ppm1      4.362 ppm2      1.334 CV     1
 ASSI { 1856}
   ((resid 85   and name HA2 ))
   ((resid 84   and name HG3 ))
      3.900     1.900     1.900 peak  1856 weight  0.10000E+01 volume  0.30323E-03 ppm1      4.369 ppm2      1.171 CV     1
 ASSI { 1857}
   ((resid 85   and name HA2 ))
   ((resid 67   and name HG12))
      3.800     1.800     1.800 peak  1857 weight  0.10000E+01 volume  0.32781E-03 ppm1      4.369 ppm2      1.045 CV     1
 ASSI { 1858}
   ((resid 85   and name HA2 ))
   ( resid 67   and name HG2%)
      3.000     1.100     1.100 peak  1858 weight  0.10000E+01 volume  0.14440E-02 ppm1      4.366 ppm2      0.772 CV     1
 ASSI { 1859}
   ((resid 84   and name HE2 ))
   ( resid 69   and name HD1%)
      6.000     1.900     1.000 peak  1859 weight  0.10000E+01 volume  0.26797E-03 ppm1      2.954 ppm2      0.668 CV     1
 ASSI { 1861}
   ((resid 84   and name HE2 ))
   ((resid 84   and name HG3 ))
      2.400     0.700     0.700 peak  1861 weight  0.10000E+01 volume  0.53409E-02 ppm1      2.954 ppm2      1.182 CV     1
 ASSI { 1862}
   ((resid 84   and name HE2 ))
   ((resid 84   and name HD3 ))
      2.200     0.600     0.600 peak  1862 weight  0.10000E+01 volume  0.81846E-02 ppm1      2.954 ppm2      1.632 CV     1
 OR { 1862}
   ((resid 84   and name HE2 ))
   ((resid 84   and name HD2 ))
 ASSI { 1864}
   ((resid 84   and name HE2 ))
   ((resid 69   and name HA  ))
      3.700     1.700     1.700 peak  1864 weight  0.10000E+01 volume  0.41146E-03 ppm1      2.956 ppm2      4.047 CV     1
 ASSI { 1865}
   ((resid 84   and name HD2 ))
   ((resid 84   and name HN  ))
      4.300     2.300     1.700 peak  1865 weight  0.10000E+01 volume  0.16283E-03 ppm1      1.637 ppm2      8.348 CV     1
 ASSI { 1866}
   ((resid 84   and name HD2 ))
   ((resid 85   and name HN  ))
      3.700     1.700     1.700 peak  1866 weight  0.10000E+01 volume  0.37219E-03 ppm1      1.636 ppm2      8.830 CV     1
 ASSI { 1867}
   ((resid 84   and name HD3 ))
   ((resid 84   and name HE2 ))
      2.400     0.700     0.700 peak  1867 weight  0.10000E+01 volume  0.54538E-02 ppm1      1.669 ppm2      2.949 CV     1
 ASSI { 1868}
   ((resid 84   and name HD2 ))
   ((resid 84   and name HE2 ))
      2.400     0.700     0.700 peak  1868 weight  0.10000E+01 volume  0.54847E-02 ppm1      1.623 ppm2      2.947 CV     1
 ASSI { 1869}
   ((resid 84   and name HD3 ))
   ((resid 84   and name HA  ))
      3.600     1.700     1.700 peak  1869 weight  0.10000E+01 volume  0.42739E-03 ppm1      1.668 ppm2      3.359 CV     1
 ASSI { 1870}
   ((resid 84   and name HD2 ))
   ((resid 84   and name HA  ))
      4.100     2.100     1.900 peak  1870 weight  0.10000E+01 volume  0.21014E-03 ppm1      1.629 ppm2      3.359 CV     1
 ASSI { 1871}
   ((resid 84   and name HD3 ))
   ((resid 84   and name HG2 ))
      2.500     0.800     0.800 peak  1871 weight  0.10000E+01 volume  0.41766E-02 ppm1      1.669 ppm2      1.067 CV     1
 ASSI { 1872}
   ((resid 84   and name HD2 ))
   ((resid 84   and name HG2 ))
      2.500     0.800     0.800 peak  1872 weight  0.10000E+01 volume  0.42539E-02 ppm1      1.626 ppm2      1.066 CV     1
 ASSI { 1873}
   ((resid 84   and name HD2 ))
   ((resid 84   and name HG3 ))
      2.600     0.800     0.800 peak  1873 weight  0.10000E+01 volume  0.34977E-02 ppm1      1.620 ppm2      1.186 CV     1
 ASSI { 1874}
   ((resid 84   and name HD3 ))
   ((resid 84   and name HG3 ))
      2.300     0.700     0.700 peak  1874 weight  0.10000E+01 volume  0.60955E-02 ppm1      1.665 ppm2      1.185 CV     1
 ASSI { 1876}
   ((resid 84   and name HG2 ))
   ((resid 84   and name HN  ))
      4.200     2.200     1.800 peak  1876 weight  0.10000E+01 volume  0.18850E-03 ppm1      1.068 ppm2      8.343 CV     1
 ASSI { 1877}
   ((resid 84   and name HG2 ))
   ((resid 70   and name HN  ))
      4.400     2.400     1.600 peak  1877 weight  0.10000E+01 volume  0.14056E-03 ppm1      1.070 ppm2      7.520 CV     1
 ASSI { 1878}
   ((resid 84   and name HG2 ))
   ((resid 69   and name HA  ))
      3.600     1.600     1.600 peak  1878 weight  0.10000E+01 volume  0.47950E-03 ppm1      1.069 ppm2      4.055 CV     1
 ASSI { 1880}
   ((resid 84   and name HG2 ))
   ((resid 84   and name HE2 ))
      2.700     0.900     0.900 peak  1880 weight  0.10000E+01 volume  0.27493E-02 ppm1      1.067 ppm2      2.950 CV     1
 ASSI { 1887}
   ((resid 84   and name HG3 ))
   ((resid 69   and name HA  ))
      4.200     2.200     1.800 peak  1887 weight  0.10000E+01 volume  0.17736E-03 ppm1      1.189 ppm2      4.052 CV     1
 ASSI { 1891}
   ((resid 84   and name HG3 ))
   ((resid 84   and name HD2 ))
      2.000     0.500     0.500 peak  1891 weight  0.10000E+01 volume  0.14431E-01 ppm1      1.189 ppm2      1.635 CV     1
 OR { 1891}
   ((resid 84   and name HG3 ))
   ((resid 84   and name HD3 ))
 ASSI { 1896}
   ((resid 84   and name HB3 ))
   ((resid 85   and name HN  ))
      3.700     1.700     1.700 peak  1896 weight  0.10000E+01 volume  0.37606E-03 ppm1      1.681 ppm2      8.832 CV     1
 ASSI { 1897}
   ((resid 84   and name HB2 ))
   ((resid 85   and name HN  ))
      3.100     1.200     1.200 peak  1897 weight  0.10000E+01 volume  0.10351E-02 ppm1      1.621 ppm2      8.834 CV     1
 ASSI { 1901}
   ((resid 84   and name HB2 ))
   ((resid 84   and name HN  ))
      2.400     0.700     0.700 peak  1901 weight  0.10000E+01 volume  0.48909E-02 ppm1      1.629 ppm2      8.345 CV     1
 ASSI { 1904}
   ((resid 84   and name HB2 ))
   ((resid 70   and name HA  ))
      4.000     2.000     2.000 peak  1904 weight  0.10000E+01 volume  0.24771E-03 ppm1      1.686 ppm2      4.584 CV     1
 ASSI { 1907}
   ((resid 84   and name HB3 ))
   ((resid 84   and name HA  ))
      2.500     0.800     0.800 peak  1907 weight  0.10000E+01 volume  0.43544E-02 ppm1      1.684 ppm2      3.359 CV     1
 ASSI { 1911}
   ((resid 84   and name HB2 ))
   ((resid 84   and name HE2 ))
      3.800     1.800     1.800 peak  1911 weight  0.10000E+01 volume  0.34807E-03 ppm1      1.621 ppm2      2.947 CV     1
 ASSI { 1912}
   ((resid 84   and name HB3 ))
   ((resid 84   and name HE2 ))
      3.600     1.600     1.600 peak  1912 weight  0.10000E+01 volume  0.43683E-03 ppm1      1.685 ppm2      2.945 CV     1
 ASSI { 1920}
   ((resid 84   and name HB2 ))
   ((resid 84   and name HG3 ))
      2.300     0.700     0.700 peak  1920 weight  0.10000E+01 volume  0.66042E-02 ppm1      1.685 ppm2      1.179 CV     1
 OR { 1920}
   ((resid 84   and name HB3 ))
   ((resid 84   and name HG3 ))
 ASSI { 1921}
   ((resid 83   and name HG2 ))
   ((resid 83   and name HN  ))
      3.000     1.100     1.100 peak  1921 weight  0.10000E+01 volume  0.15101E-02 ppm1      2.355 ppm2      8.988 CV     1
 ASSI { 1922}
   ((resid 83   and name HG3 ))
   ((resid 83   and name HN  ))
      2.900     1.000     1.000 peak  1922 weight  0.10000E+01 volume  0.18030E-02 ppm1      2.396 ppm2      8.988 CV     1
 ASSI { 1923}
   ((resid 83   and name HG3 ))
   ((resid 84   and name HN  ))
      3.900     1.900     1.900 peak  1923 weight  0.10000E+01 volume  0.30353E-03 ppm1      2.394 ppm2      8.343 CV     1
 ASSI { 1924}
   ((resid 83   and name HG2 ))
   ((resid 84   and name HN  ))
      3.600     1.600     1.600 peak  1924 weight  0.10000E+01 volume  0.44177E-03 ppm1      2.356 ppm2      8.345 CV     1
 ASSI { 1925}
   ((resid 83   and name HG3 ))
   ((resid 83   and name HB2 ))
      2.300     0.700     0.700 peak  1925 weight  0.10000E+01 volume  0.66985E-02 ppm1      2.393 ppm2      1.929 CV     1
 ASSI { 1926}
   ((resid 83   and name HG2 ))
   ((resid 83   and name HB2 ))
      2.400     0.700     0.700 peak  1926 weight  0.10000E+01 volume  0.46791E-02 ppm1      2.353 ppm2      1.931 CV     1
 ASSI { 1929}
   ((resid 83   and name HG3 ))
   ((resid 83   and name HB3 ))
      2.300     0.600     0.600 peak  1929 weight  0.10000E+01 volume  0.73835E-02 ppm1      2.395 ppm2      2.115 CV     1
 ASSI { 1930}
   ((resid 83   and name HG2 ))
   ((resid 83   and name HB3 ))
      2.300     0.700     0.700 peak  1930 weight  0.10000E+01 volume  0.63708E-02 ppm1      2.352 ppm2      2.113 CV     1
 ASSI { 1932}
   ((resid 83   and name HB3 ))
   ((resid 84   and name HN  ))
      2.600     0.900     0.900 peak  1932 weight  0.10000E+01 volume  0.31204E-02 ppm1      2.117 ppm2      8.346 CV     1
 ASSI { 1936}
   ((resid 83   and name HB2 ))
   ((resid 86   and name HN  ))
      4.100     2.100     1.900 peak  1936 weight  0.10000E+01 volume  0.19762E-03 ppm1      1.941 ppm2      8.117 CV     1
 ASSI { 1938}
   ((resid 82   and name HB2 ))
   ((resid 82   and name HN  ))
      3.500     1.600     1.600 peak  1938 weight  0.10000E+01 volume  0.49868E-03 ppm1      2.902 ppm2      7.883 CV     1
 ASSI { 1939}
   ((resid 82   and name HB2 ))
   ( resid 82   and name HE% )
      4.000     2.000     2.000 peak  1939 weight  0.10000E+01 volume  0.24973E-03 ppm1      2.901 ppm2      7.470 CV     1
 ASSI { 1940}
   ((resid 82   and name HB2 ))
   ( resid 82   and name HD% )
      2.300     0.600     0.600 peak  1940 weight  0.10000E+01 volume  0.74748E-02 ppm1      2.901 ppm2      6.975 CV     1
 ASSI { 1942}
   ((resid 82   and name HB2 ))
   ((resid 82   and name HB3 ))
      1.700     0.400     0.500 peak  1942 weight  0.10000E+01 volume  0.38472E-01 ppm1      2.902 ppm2      3.267 CV     1
 ASSI { 1944}
   ((resid 82   and name HB2 ))
   ((resid 86   and name HB2 ))
      2.900     1.000     1.000 peak  1944 weight  0.10000E+01 volume  0.17133E-02 ppm1      2.900 ppm2      2.373 CV     1
 ASSI { 1946}
   ((resid 82   and name HB2 ))
   ((resid 80   and name HG  ))
      4.100     2.100     1.900 peak  1946 weight  0.10000E+01 volume  0.21432E-03 ppm1      2.902 ppm2      1.755 CV     1
 ASSI { 1947}
   ((resid 82   and name HB2 ))
   ( resid 68   and name HB% )
      3.200     1.300     1.300 peak  1947 weight  0.10000E+01 volume  0.85263E-03 ppm1      2.901 ppm2      1.670 CV     1
 ASSI { 1948}
   ((resid 82   and name HB2 ))
   ( resid 88   and name HD2%)
      2.700     0.900     0.900 peak  1948 weight  0.10000E+01 volume  0.25746E-02 ppm1      2.900 ppm2      0.631 CV     1
 ASSI { 1949}
   ((resid 82   and name HB2 ))
   ( resid 88   and name HD1%)
      3.000     1.100     1.100 peak  1949 weight  0.10000E+01 volume  0.13264E-02 ppm1      2.900 ppm2      0.036 CV     1
 ASSI { 1952}
   ((resid 81   and name HA1 ))
   ( resid 72   and name HD% )
      3.000     1.100     1.100 peak  1952 weight  0.10000E+01 volume  0.12853E-02 ppm1      3.569 ppm2      7.059 CV     1
 ASSI { 1953}
   ((resid 81   and name HA1 ))
   ( resid 82   and name HD% )
      3.700     1.700     1.700 peak  1953 weight  0.10000E+01 volume  0.41704E-03 ppm1      3.570 ppm2      6.967 CV     1
 ASSI { 1954}
   ((resid 81   and name HA1 ))
   ((resid 81   and name HA2 ))
      1.800     0.400     0.400 peak  1954 weight  0.10000E+01 volume  0.29163E-01 ppm1      3.569 ppm2      4.356 CV     1
 ASSI { 1956}
   ((resid 81   and name HA1 ))
   ((resid 74   and name HG3 ))
      3.000     1.100     1.100 peak  1956 weight  0.10000E+01 volume  0.13080E-02 ppm1      3.568 ppm2      2.016 CV     1
 ASSI { 1957}
   ((resid 81   and name HA1 ))
   ((resid 74   and name HG2 ))
      3.100     1.200     1.200 peak  1957 weight  0.10000E+01 volume  0.11499E-02 ppm1      3.571 ppm2      1.789 CV     1
 ASSI { 1958}
   ((resid 81   and name HA1 ))
   ( resid 80   and name HD1%)
      4.000     2.000     2.000 peak  1958 weight  0.10000E+01 volume  0.24215E-03 ppm1      3.572 ppm2      0.797 CV     1
 ASSI { 1959}
   ((resid 81   and name HA1 ))
   ((resid 72   and name HB3 ))
      4.100     2.100     1.900 peak  1959 weight  0.10000E+01 volume  0.20659E-03 ppm1      3.576 ppm2      1.041 CV     1
 ASSI { 1962}
   ((resid 81   and name HA2 ))
   ( resid 72   and name HD% )
      3.100     1.200     1.200 peak  1962 weight  0.10000E+01 volume  0.10594E-02 ppm1      4.362 ppm2      7.056 CV     1
 ASSI { 1963}
   ((resid 81   and name HA2 ))
   ( resid 82   and name HD% )
      3.600     1.600     1.600 peak  1963 weight  0.10000E+01 volume  0.49837E-03 ppm1      4.362 ppm2      6.973 CV     1
 ASSI { 1966}
   ((resid 81   and name HA2 ))
   ((resid 74   and name HB3 ))
      3.800     1.800     1.800 peak  1966 weight  0.10000E+01 volume  0.30895E-03 ppm1      4.365 ppm2      1.978 CV     1
 ASSI { 1967}
   ((resid 81   and name HA2 ))
   ((resid 74   and name HG2 ))
      3.700     1.700     1.700 peak  1967 weight  0.10000E+01 volume  0.40652E-03 ppm1      4.365 ppm2      1.785 CV     1
 ASSI { 1968}
   ( resid 80   and name HD2%)
   ((resid 100  and name HN  ))
      4.500     2.500     1.500 peak  1968 weight  0.10000E+01 volume  0.12602E-03 ppm1      0.656 ppm2      9.411 CV     1
 ASSI { 1969}
   ( resid 80   and name HD2%)
   ((resid 80   and name HN  ))
      3.500     1.500     1.500 peak  1969 weight  0.10000E+01 volume  0.56965E-03 ppm1      0.656 ppm2      9.106 CV     1
 ASSI { 1970}
   ( resid 80   and name HD2%)
   ((resid 101  and name HN  ))
      4.500     2.500     1.500 peak  1970 weight  0.10000E+01 volume  0.12371E-03 ppm1      0.655 ppm2      8.982 CV     1
 ASSI { 1973}
   ( resid 80   and name HD2%)
   ( resid 82   and name HE% )
      4.300     2.300     1.700 peak  1973 weight  0.10000E+01 volume  0.15742E-03 ppm1      0.652 ppm2      7.480 CV     1
 ASSI { 1975}
   ( resid 80   and name HD2%)
   ( resid 82   and name HD% )
      3.000     1.100     1.100 peak  1975 weight  0.10000E+01 volume  0.14614E-02 ppm1      0.653 ppm2      6.977 CV     1
 ASSI { 1977}
   ( resid 80   and name HD2%)
   ((resid 100  and name HA  ))
      4.700     2.800     1.300 peak  1977 weight  0.10000E+01 volume  0.90149E-04 ppm1      0.654 ppm2      5.453 CV     1
 ASSI { 1979}
   ( resid 80   and name HD2%)
   ((resid 80   and name HA  ))
      3.800     1.800     1.800 peak  1979 weight  0.10000E+01 volume  0.32070E-03 ppm1      0.654 ppm2      4.536 CV     1
 ASSI { 1980}
   ( resid 80   and name HD2%)
   ((resid 102  and name HB2 ))
      3.500     1.500     1.500 peak  1980 weight  0.10000E+01 volume  0.54615E-03 ppm1      0.655 ppm2      4.208 CV     1
 ASSI { 1981}
   ( resid 80   and name HD2%)
   ((resid 102  and name HB3 ))
      4.000     2.000     2.000 peak  1981 weight  0.10000E+01 volume  0.25684E-03 ppm1      0.655 ppm2      4.076 CV     1
 ASSI { 1982}
   ( resid 80   and name HD2%)
   ((resid 82   and name HB3 ))
      3.900     1.900     1.900 peak  1982 weight  0.10000E+01 volume  0.28467E-03 ppm1      0.653 ppm2      3.261 CV     1
 ASSI { 1983}
   ( resid 80   and name HD2%)
   ((resid 80   and name HG  ))
      1.700     0.400     0.500 peak  1983 weight  0.10000E+01 volume  0.37313E-01 ppm1      0.654 ppm2      1.749 CV     1
 ASSI { 1984}
   ( resid 80   and name HD2%)
   ( resid 100  and name HB% )
      2.600     0.900     0.900 peak  1984 weight  0.10000E+01 volume  0.31544E-02 ppm1      0.652 ppm2      1.216 CV     1
 ASSI { 1985}
   ( resid 80   and name HD2%)
   ( resid 111  and name HG2%)
      2.400     0.700     0.700 peak  1985 weight  0.10000E+01 volume  0.51183E-02 ppm1      0.654 ppm2      1.117 CV     1
 ASSI { 1988}
   ( resid 80   and name HD2%)
   ( resid 88   and name HD1%)
      3.400     1.400     1.400 peak  1988 weight  0.10000E+01 volume  0.68609E-03 ppm1      0.653 ppm2      0.045 CV     1
 ASSI { 1989}
   ((resid 80   and name HB2 ))
   ((resid 80   and name HN  ))
      2.600     0.900     0.900 peak  1989 weight  0.10000E+01 volume  0.29039E-02 ppm1      0.733 ppm2      9.099 CV     1
 ASSI { 1990}
   ((resid 80   and name HB2 ))
   ((resid 109  and name HN  ))
      2.800     1.000     1.000 peak  1990 weight  0.10000E+01 volume  0.20133E-02 ppm1      0.733 ppm2      8.726 CV     1
 ASSI { 1991}
   ((resid 80   and name HB2 ))
   ((resid 81   and name HN  ))
      3.600     1.600     1.600 peak  1991 weight  0.10000E+01 volume  0.46528E-03 ppm1      0.731 ppm2      8.187 CV     1
 ASSI { 1992}
   ((resid 80   and name HB2 ))
   ((resid 108  and name HA  ))
      4.200     2.200     1.800 peak  1992 weight  0.10000E+01 volume  0.18555E-03 ppm1      0.733 ppm2      5.694 CV     1
 ASSI { 1996}
   ((resid 80   and name HB2 ))
   ((resid 109  and name HA1 ))
      3.100     1.200     1.200 peak  1996 weight  0.10000E+01 volume  0.11770E-02 ppm1      0.737 ppm2      3.931 CV     1
 ASSI { 1997}
   ((resid 80   and name HB2 ))
   ((resid 80   and name HB3 ))
      1.800     0.400     0.400 peak  1997 weight  0.10000E+01 volume  0.28111E-01 ppm1      0.735 ppm2      1.759 CV     1
 ASSI { 1998}
   ((resid 80   and name HB2 ))
   ( resid 111  and name HG2%)
      2.700     0.900     0.900 peak  1998 weight  0.10000E+01 volume  0.28065E-02 ppm1      0.734 ppm2      1.116 CV     1
 ASSI { 2000}
   ((resid 80   and name HB3 ))
   ((resid 80   and name HN  ))
      2.400     0.700     0.700 peak  2000 weight  0.10000E+01 volume  0.47981E-02 ppm1      1.765 ppm2      9.099 CV     1
 ASSI { 2003}
   ((resid 80   and name HB3 ))
   ( resid 82   and name HD% )
      3.800     1.800     1.800 peak  2003 weight  0.10000E+01 volume  0.30834E-03 ppm1      1.763 ppm2      6.976 CV     1
 ASSI { 2007}
   ((resid 80   and name HB3 ))
   ((resid 109  and name HA1 ))
      3.900     1.900     1.900 peak  2007 weight  0.10000E+01 volume  0.28359E-03 ppm1      1.761 ppm2      3.927 CV     1
 ASSI { 2011}
   ((resid 80   and name HG  ))
   ((resid 80   and name HN  ))
      3.900     1.900     1.900 peak  2011 weight  0.10000E+01 volume  0.28436E-03 ppm1      1.756 ppm2      9.096 CV     1
 ASSI { 2012}
   ((resid 80   and name HG  ))
   ((resid 102  and name HN  ))
      4.300     2.300     1.700 peak  2012 weight  0.10000E+01 volume  0.16591E-03 ppm1      1.754 ppm2      8.737 CV     1
 ASSI { 2014}
   ((resid 80   and name HG  ))
   ( resid 82   and name HD% )
      3.000     1.100     1.100 peak  2014 weight  0.10000E+01 volume  0.14958E-02 ppm1      1.753 ppm2      6.976 CV     1
 ASSI { 2015}
   ((resid 80   and name HG  ))
   ((resid 80   and name HA  ))
      3.700     1.700     1.700 peak  2015 weight  0.10000E+01 volume  0.37761E-03 ppm1      1.753 ppm2      4.537 CV     1
 ASSI { 2018}
   ((resid 80   and name HG  ))
   ( resid 100  and name HB% )
      3.500     1.500     1.500 peak  2018 weight  0.10000E+01 volume  0.53378E-03 ppm1      1.752 ppm2      1.218 CV     1
 ASSI { 2019}
   ((resid 80   and name HG  ))
   ( resid 111  and name HG2%)
      3.000     1.100     1.100 peak  2019 weight  0.10000E+01 volume  0.13405E-02 ppm1      1.750 ppm2      1.126 CV     1
 ASSI { 2020}
   ((resid 80   and name HG  ))
   ( resid 80   and name HD1%)
      2.300     0.700     0.700 peak  2020 weight  0.10000E+01 volume  0.61418E-02 ppm1      1.753 ppm2      0.795 CV     1
 ASSI { 2022}
   ( resid 80   and name HD1%)
   ((resid 80   and name HN  ))
      3.600     1.600     1.600 peak  2022 weight  0.10000E+01 volume  0.43605E-03 ppm1      0.807 ppm2      9.095 CV     1
 ASSI { 2023}
   ( resid 80   and name HD1%)
   ((resid 102  and name HN  ))
      2.600     0.900     0.900 peak  2023 weight  0.10000E+01 volume  0.29968E-02 ppm1      0.805 ppm2      8.751 CV     1
 ASSI { 2026}
   ( resid 80   and name HD1%)
   ((resid 107  and name HN  ))
      3.500     1.500     1.500 peak  2026 weight  0.10000E+01 volume  0.56563E-03 ppm1      0.806 ppm2      7.921 CV     1
 ASSI { 2027}
   ( resid 80   and name HD1%)
   ( resid 82   and name HD% )
      3.900     1.900     1.900 peak  2027 weight  0.10000E+01 volume  0.28514E-03 ppm1      0.804 ppm2      6.967 CV     1
 ASSI { 2029}
   ( resid 80   and name HD1%)
   ((resid 101  and name HA  ))
      3.400     1.400     1.400 peak  2029 weight  0.10000E+01 volume  0.67681E-03 ppm1      0.808 ppm2      5.270 CV     1
 ASSI { 2030}
   ( resid 80   and name HD1%)
   ((resid 80   and name HA  ))
      2.600     0.800     0.800 peak  2030 weight  0.10000E+01 volume  0.32225E-02 ppm1      0.806 ppm2      4.528 CV     1
 ASSI { 2032}
   ( resid 80   and name HD1%)
   ((resid 102  and name HB3 ))
      2.900     1.000     1.000 peak  2032 weight  0.10000E+01 volume  0.17149E-02 ppm1      0.807 ppm2      4.054 CV     1
 ASSI { 2033}
   ( resid 65   and name HD1%)
   ((resid 66   and name HB  ))
      3.100     1.200     1.200 peak  2033 weight  0.10000E+01 volume  0.12364E-02 ppm1      0.776 ppm2      1.998 CV     1
 ASSI { 2034}
   ( resid 65   and name HD1%)
   ((resid 87   and name HB3 ))
      3.600     1.600     1.600 peak  2034 weight  0.10000E+01 volume  0.48924E-03 ppm1      0.777 ppm2      2.090 CV     1
 ASSI { 2035}
   ( resid 80   and name HD1%)
   ((resid 107  and name HG2 ))
      3.000     1.100     1.100 peak  2035 weight  0.10000E+01 volume  0.13252E-02 ppm1      0.806 ppm2      2.405 CV     1
 OR { 2035}
   ( resid 80   and name HD1%)
   ((resid 107  and name HG3 ))
 ASSI { 2036}
   ( resid 80   and name HD1%)
   ((resid 107  and name HB3 ))
      2.300     0.700     0.700 peak  2036 weight  0.10000E+01 volume  0.63182E-02 ppm1      0.805 ppm2      2.043 CV     1
 ASSI { 2037}
   ( resid 80   and name HD1%)
   ((resid 107  and name HB2 ))
      2.400     0.700     0.700 peak  2037 weight  0.10000E+01 volume  0.50688E-02 ppm1      0.807 ppm2      1.927 CV     1
 ASSI { 2038}
   ( resid 80   and name HD1%)
   ((resid 80   and name HG  ))
      2.100     0.500     0.500 peak  2038 weight  0.10000E+01 volume  0.12865E-01 ppm1      0.807 ppm2      1.749 CV     1
 OR { 2038}
   ( resid 80   and name HD1%)
   ((resid 80   and name HB3 ))
 ASSI { 2039}
   ((resid 79   and name HB3 ))
   ((resid 80   and name HN  ))
      2.800     1.000     1.000 peak  2039 weight  0.10000E+01 volume  0.21927E-02 ppm1      3.002 ppm2      9.101 CV     1
 ASSI { 2040}
   ((resid 79   and name HB2 ))
   ((resid 80   and name HN  ))
      2.800     1.000     1.000 peak  2040 weight  0.10000E+01 volume  0.20489E-02 ppm1      2.912 ppm2      9.105 CV     1
 ASSI { 2041}
   ((resid 79   and name HB2 ))
   ((resid 75   and name HN  ))
      3.600     1.600     1.600 peak  2041 weight  0.10000E+01 volume  0.45152E-03 ppm1      2.914 ppm2      8.590 CV     1
 ASSI { 2042}
   ((resid 79   and name HB3 ))
   ((resid 75   and name HN  ))
      3.900     1.900     1.900 peak  2042 weight  0.10000E+01 volume  0.26674E-03 ppm1      3.006 ppm2      8.586 CV     1
 ASSI { 2043}
   ((resid 79   and name HB3 ))
   ((resid 79   and name HN  ))
      3.500     0.800     0.800 peak  2043 weight  0.10000E+01 volume  0.40884E-02 ppm1      3.002 ppm2      7.872 CV     1
 ASSI { 2046}
   ((resid 79   and name HB3 ))
   ((resid 76   and name HN  ))
      3.400     1.400     1.400 peak  2046 weight  0.10000E+01 volume  0.68083E-03 ppm1      3.001 ppm2      7.784 CV     1
 ASSI { 2047}
   ((resid 79   and name HB3 ))
   ((resid 97   and name HZ3 ))
      2.500     0.800     0.800 peak  2047 weight  0.10000E+01 volume  0.41935E-02 ppm1      3.001 ppm2      6.717 CV     1
 ASSI { 2048}
   ((resid 79   and name HB2 ))
   ((resid 97   and name HZ3 ))
      6.000     1.800     1.200 peak  2048 weight  0.10000E+01 volume  0.31977E-02 ppm1      2.912 ppm2      6.717 CV     1
 ASSI { 2053}
   ((resid 79   and name HB3 ))
   ((resid 79   and name HB2 ))
      2.000     0.500     0.500 peak  2053 weight  0.10000E+01 volume  0.16530E-01 ppm1      3.006 ppm2      2.902 CV     1
 ASSI { 2057}
   ((resid 79   and name HB3 ))
   ((resid 74   and name HB3 ))
      2.400     0.700     0.700 peak  2057 weight  0.10000E+01 volume  0.46682E-02 ppm1      3.001 ppm2      1.985 CV     1
 ASSI { 2058}
   ((resid 79   and name HB2 ))
   ((resid 74   and name HB3 ))
      2.500     0.800     0.800 peak  2058 weight  0.10000E+01 volume  0.45275E-02 ppm1      2.916 ppm2      1.985 CV     1
 ASSI { 2059}
   ((resid 79   and name HB2 ))
   ((resid 74   and name HG2 ))
      3.900     1.900     1.900 peak  2059 weight  0.10000E+01 volume  0.27261E-03 ppm1      2.916 ppm2      1.789 CV     1
 ASSI { 2060}
   ((resid 79   and name HB3 ))
   ((resid 74   and name HG2 ))
      3.900     1.900     1.900 peak  2060 weight  0.10000E+01 volume  0.27663E-03 ppm1      3.002 ppm2      1.785 CV     1
 ASSI { 2061}
   ((resid 78   and name HA2 ))
   ((resid 78   and name HN  ))
      2.600     0.800     0.800 peak  2061 weight  0.10000E+01 volume  0.32426E-02 ppm1      4.398 ppm2      8.896 CV     1
 ASSI { 2063}
   ((resid 78   and name HA2 ))
   ( resid 110  and name HD% )
      3.700     1.700     1.700 peak  2063 weight  0.10000E+01 volume  0.37250E-03 ppm1      4.397 ppm2      7.181 CV     1
 ASSI { 2066}
   ((resid 78   and name HA1 ))
   ( resid 110  and name HD% )
      3.800     1.800     1.800 peak  2066 weight  0.10000E+01 volume  0.35225E-03 ppm1      3.931 ppm2      7.185 CV     1
 ASSI { 2067}
   ((resid 77   and name HA  ))
   ((resid 77   and name HB3 ))
      2.500     0.800     0.800 peak  2067 weight  0.10000E+01 volume  0.39199E-02 ppm1      4.419 ppm2      2.577 CV     1
 ASSI { 2072}
   ((resid 77   and name HB3 ))
   ((resid 78   and name HN  ))
      3.500     1.500     1.500 peak  2072 weight  0.10000E+01 volume  0.59084E-03 ppm1      2.564 ppm2      8.899 CV     1
 ASSI { 2074}
   ((resid 77   and name HB2 ))
   ((resid 77   and name HN  ))
      3.000     1.100     1.100 peak  2074 weight  0.10000E+01 volume  0.14936E-02 ppm1      2.600 ppm2      8.764 CV     1
 ASSI { 2077}
   ((resid 77   and name HB2 ))
   ((resid 77   and name HA  ))
      2.600     0.900     0.900 peak  2077 weight  0.10000E+01 volume  0.30694E-02 ppm1      2.598 ppm2      4.410 CV     1
 ASSI { 2078}
   ((resid 76   and name HB2 ))
   ((resid 77   and name HN  ))
      3.700     1.700     1.700 peak  2078 weight  0.10000E+01 volume  0.38658E-03 ppm1      3.146 ppm2      8.763 CV     1
 ASSI { 2079}
   ((resid 76   and name HB2 ))
   ((resid 79   and name HN  ))
      3.900     1.900     1.900 peak  2079 weight  0.10000E+01 volume  0.28652E-03 ppm1      3.146 ppm2      7.866 CV     1
 ASSI { 2081}
   ((resid 76   and name HB2 ))
   ((resid 97   and name HE3 ))
      3.500     1.500     1.500 peak  2081 weight  0.10000E+01 volume  0.58821E-03 ppm1      3.146 ppm2      7.145 CV     1
 ASSI { 2085}
   ((resid 76   and name HB3 ))
   ((resid 76   and name HN  ))
      2.900     1.100     1.100 peak  2085 weight  0.10000E+01 volume  0.15725E-02 ppm1      2.831 ppm2      7.782 CV     1
 ASSI { 2086}
   ((resid 76   and name HB3 ))
   ((resid 97   and name HE3 ))
      3.900     1.900     1.900 peak  2086 weight  0.10000E+01 volume  0.27107E-03 ppm1      2.830 ppm2      7.147 CV     1
 ASSI { 2088}
   ((resid 76   and name HB3 ))
   ((resid 76   and name HB2 ))
      1.700     0.400     0.500 peak  2088 weight  0.10000E+01 volume  0.36524E-01 ppm1      2.830 ppm2      3.138 CV     1
 ASSI { 2089}
   ((resid 75   and name HB3 ))
   ((resid 75   and name HN  ))
      3.100     1.200     1.200 peak  2089 weight  0.10000E+01 volume  0.10496E-02 ppm1      3.686 ppm2      8.582 CV     1
 ASSI { 2090}
   ((resid 75   and name HB3 ))
   ((resid 76   and name HN  ))
      3.700     1.700     1.700 peak  2090 weight  0.10000E+01 volume  0.41812E-03 ppm1      3.683 ppm2      7.784 CV     1
 ASSI { 2091}
   ((resid 75   and name HB3 ))
   ((resid 75   and name HA  ))
      2.400     0.700     0.700 peak  2091 weight  0.10000E+01 volume  0.53286E-02 ppm1      3.685 ppm2      4.400 CV     1
 ASSI { 2093}
   ((resid 75   and name HB3 ))
   ((resid 75   and name HB2 ))
      1.800     0.400     0.400 peak  2093 weight  0.10000E+01 volume  0.30849E-01 ppm1      3.686 ppm2      3.567 CV     1
 ASSI { 2094}
   ((resid 75   and name HB2 ))
   ((resid 75   and name HN  ))
      3.400     1.400     1.400 peak  2094 weight  0.10000E+01 volume  0.66444E-03 ppm1      3.573 ppm2      8.584 CV     1
 ASSI { 2095}
   ((resid 75   and name HB2 ))
   ((resid 76   and name HN  ))
      3.800     1.800     1.800 peak  2095 weight  0.10000E+01 volume  0.35085E-03 ppm1      3.576 ppm2      7.778 CV     1
 ASSI { 2096}
   ((resid 75   and name HB2 ))
   ( resid 72   and name HE% )
      4.200     2.200     1.800 peak  2096 weight  0.10000E+01 volume  0.18308E-03 ppm1      3.576 ppm2      6.726 CV     1
 ASSI { 2099}
   ((resid 75   and name HB2 ))
   ((resid 75   and name HA  ))
      2.400     0.700     0.700 peak  2099 weight  0.10000E+01 volume  0.54043E-02 ppm1      3.576 ppm2      4.396 CV     1
 ASSI { 2101}
   ((resid 74   and name HA  ))
   ((resid 76   and name HN  ))
      3.100     1.200     1.200 peak  2101 weight  0.10000E+01 volume  0.10895E-02 ppm1      3.983 ppm2      7.790 CV     1
 ASSI { 2102}
   ((resid 74   and name HA  ))
   ( resid 72   and name HD% )
      3.600     1.600     1.600 peak  2102 weight  0.10000E+01 volume  0.47192E-03 ppm1      3.984 ppm2      7.060 CV     1
 ASSI { 2103}
   ((resid 74   and name HA  ))
   ( resid 72   and name HE% )
      2.500     0.800     0.800 peak  2103 weight  0.10000E+01 volume  0.38023E-02 ppm1      3.984 ppm2      6.722 CV     1
 ASSI { 2104}
   ((resid 74   and name HA  ))
   ((resid 74   and name HD2 ))
      2.900     1.000     1.000 peak  2104 weight  0.10000E+01 volume  0.17395E-02 ppm1      3.984 ppm2      3.553 CV     1
 ASSI { 2105}
   ((resid 74   and name HA  ))
   ((resid 79   and name HB3 ))
      2.700     0.900     0.900 peak  2105 weight  0.10000E+01 volume  0.28652E-02 ppm1      3.983 ppm2      2.995 CV     1
 ASSI { 2106}
   ((resid 74   and name HA  ))
   ((resid 79   and name HB2 ))
      2.500     0.800     0.800 peak  2106 weight  0.10000E+01 volume  0.37142E-02 ppm1      3.984 ppm2      2.906 CV     1
 ASSI { 2107}
   ((resid 74   and name HA  ))
   ((resid 74   and name HB3 ))
      2.100     0.500     0.500 peak  2107 weight  0.10000E+01 volume  0.11868E-01 ppm1      3.984 ppm2      1.978 CV     1
 ASSI { 2108}
   ((resid 74   and name HA  ))
   ((resid 74   and name HG2 ))
      2.900     1.000     1.000 peak  2108 weight  0.10000E+01 volume  0.17426E-02 ppm1      3.984 ppm2      1.799 CV     1
 ASSI { 2109}
   ((resid 74   and name HB3 ))
   ( resid 72   and name HE% )
      3.000     1.200     1.200 peak  2109 weight  0.10000E+01 volume  0.12466E-02 ppm1      1.985 ppm2      6.718 CV     1
 ASSI { 2110}
   ((resid 74   and name HB3 ))
   ((resid 75   and name HN  ))
      3.200     1.200     1.200 peak  2110 weight  0.10000E+01 volume  0.10035E-02 ppm1      1.986 ppm2      8.588 CV     1
 ASSI { 2111}
   ((resid 74   and name HB3 ))
   ((resid 80   and name HN  ))
      4.600     2.600     1.400 peak  2111 weight  0.10000E+01 volume  0.10530E-03 ppm1      1.986 ppm2      9.099 CV     1
 ASSI { 2113}
   ((resid 74   and name HB3 ))
   ((resid 74   and name HD3 ))
      2.300     0.700     0.700 peak  2113 weight  0.10000E+01 volume  0.61697E-02 ppm1      1.985 ppm2      3.547 CV     1
 OR { 2113}
   ((resid 74   and name HB3 ))
   ((resid 74   and name HD2 ))
 ASSI { 2117}
   ((resid 74   and name HG3 ))
   ((resid 79   and name HB2 ))
      4.300     2.300     1.700 peak  2117 weight  0.10000E+01 volume  0.16793E-03 ppm1      1.798 ppm2      2.916 CV     1
 ASSI { 2118}
   ((resid 74   and name HG3 ))
   ((resid 79   and name HB3 ))
      3.600     1.600     1.600 peak  2118 weight  0.10000E+01 volume  0.43992E-03 ppm1      1.799 ppm2      2.989 CV     1
 ASSI { 2119}
   ((resid 74   and name HG3 ))
   ((resid 74   and name HD3 ))
      2.300     0.700     0.700 peak  2119 weight  0.10000E+01 volume  0.59749E-02 ppm1      1.799 ppm2      3.543 CV     1
 OR { 2119}
   ((resid 74   and name HG3 ))
   ((resid 74   and name HD2 ))
 ASSI { 2121}
   ((resid 74   and name HG3 ))
   ((resid 79   and name HN  ))
      4.600     2.600     1.400 peak  2121 weight  0.10000E+01 volume  0.10778E-03 ppm1      1.801 ppm2      7.885 CV     1
 ASSI { 2122}
   ((resid 74   and name HG3 ))
   ( resid 72   and name HE% )
      4.100     2.100     1.900 peak  2122 weight  0.10000E+01 volume  0.21710E-03 ppm1      1.797 ppm2      6.711 CV     1
 ASSI { 2123}
   ((resid 74   and name HD2 ))
   ((resid 81   and name HN  ))
      3.300     1.400     1.400 peak  2123 weight  0.10000E+01 volume  0.75243E-03 ppm1      3.519 ppm2      8.181 CV     1
 ASSI { 2124}
   ((resid 74   and name HD3 ))
   ((resid 81   and name HN  ))
      4.100     2.100     1.900 peak  2124 weight  0.10000E+01 volume  0.20303E-03 ppm1      3.558 ppm2      8.181 CV     1
 ASSI { 2125}
   ((resid 74   and name HD3 ))
   ((resid 82   and name HN  ))
      4.200     2.200     1.800 peak  2125 weight  0.10000E+01 volume  0.18448E-03 ppm1      3.558 ppm2      7.886 CV     1
 ASSI { 2126}
   ((resid 74   and name HD2 ))
   ((resid 82   and name HN  ))
      3.900     1.900     1.900 peak  2126 weight  0.10000E+01 volume  0.27895E-03 ppm1      3.515 ppm2      7.883 CV     1
 ASSI { 2127}
   ((resid 74   and name HD2 ))
   ( resid 72   and name HD% )
      3.300     1.300     1.300 peak  2127 weight  0.10000E+01 volume  0.83824E-03 ppm1      3.522 ppm2      7.071 CV     1
 ASSI { 2130}
   ((resid 73   and name HG3 ))
   ((resid 74   and name HD2 ))
      3.100     1.200     1.200 peak  2130 weight  0.10000E+01 volume  0.11021E-02 ppm1      2.047 ppm2      3.548 CV     1
 ASSI { 2132}
   ((resid 73   and name HG3 ))
   ((resid 73   and name HB2 ))
      2.300     0.700     0.700 peak  2132 weight  0.10000E+01 volume  0.64016E-02 ppm1      2.047 ppm2      1.617 CV     1
 ASSI { 2133}
   ((resid 73   and name HG3 ))
   ((resid 73   and name HB3 ))
      2.500     0.800     0.800 peak  2133 weight  0.10000E+01 volume  0.42229E-02 ppm1      2.047 ppm2      1.697 CV     1
 ASSI { 2137}
   ((resid 73   and name HB2 ))
   ((resid 73   and name HA  ))
      2.800     0.900     0.900 peak  2137 weight  0.10000E+01 volume  0.22731E-02 ppm1      1.620 ppm2      4.504 CV     1
 ASSI { 2138}
   ((resid 73   and name HB3 ))
   ((resid 74   and name HD2 ))
      3.000     1.100     1.100 peak  2138 weight  0.10000E+01 volume  0.12932E-02 ppm1      1.700 ppm2      3.545 CV     1
 ASSI { 2139}
   ((resid 73   and name HB2 ))
   ((resid 74   and name HD2 ))
      3.100     1.200     1.200 peak  2139 weight  0.10000E+01 volume  0.12164E-02 ppm1      1.620 ppm2      3.545 CV     1
 ASSI { 2140}
   ((resid 73   and name HB3 ))
   ((resid 73   and name HB2 ))
      1.600     0.300     0.600 peak  2140 weight  0.10000E+01 volume  0.59996E-01 ppm1      1.703 ppm2      1.621 CV     1
 ASSI { 2143}
   ((resid 72   and name HB2 ))
   ((resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2143 weight  0.10000E+01 volume  0.19499E-02 ppm1      2.274 ppm2      8.502 CV     1
 ASSI { 2146}
   ((resid 72   and name HB2 ))
   ( resid 82   and name HE% )
      2.800     1.000     1.000 peak  2146 weight  0.10000E+01 volume  0.20489E-02 ppm1      2.277 ppm2      7.480 CV     1
 ASSI { 2147}
   ((resid 72   and name HB2 ))
   ( resid 115  and name HD% )
      3.000     1.100     1.100 peak  2147 weight  0.10000E+01 volume  0.14905E-02 ppm1      2.275 ppm2      7.387 CV     1
 ASSI { 2148}
   ((resid 72   and name HB2 ))
   ( resid 72   and name HD% )
      2.200     0.600     0.600 peak  2148 weight  0.10000E+01 volume  0.92098E-02 ppm1      2.273 ppm2      7.058 CV     1
 ASSI { 2149}
   ((resid 72   and name HB2 ))
   ((resid 82   and name HZ  ))
      2.900     1.100     1.100 peak  2149 weight  0.10000E+01 volume  0.15201E-02 ppm1      2.274 ppm2      6.799 CV     1
 ASSI { 2151}
   ((resid 72   and name HB2 ))
   ((resid 81   and name HA2 ))
      4.000     2.000     2.000 peak  2151 weight  0.10000E+01 volume  0.24246E-03 ppm1      2.277 ppm2      4.358 CV     1
 ASSI { 2154}
   ((resid 72   and name HB2 ))
   ((resid 72   and name HB3 ))
      1.800     0.400     0.400 peak  2154 weight  0.10000E+01 volume  0.25298E-01 ppm1      2.273 ppm2      1.039 CV     1
 ASSI { 2157}
   ((resid 72   and name HB3 ))
   ((resid 73   and name HN  ))
      3.700     1.800     1.800 peak  2157 weight  0.10000E+01 volume  0.36199E-03 ppm1      1.045 ppm2      7.591 CV     1
 ASSI { 2158}
   ((resid 72   and name HB3 ))
   ( resid 82   and name HE% )
      2.900     1.000     1.000 peak  2158 weight  0.10000E+01 volume  0.17133E-02 ppm1      1.046 ppm2      7.475 CV     1
 ASSI { 2159}
   ((resid 72   and name HB3 ))
   ( resid 115  and name HD% )
      3.500     1.600     1.600 peak  2159 weight  0.10000E+01 volume  0.50286E-03 ppm1      1.047 ppm2      7.381 CV     1
 ASSI { 2160}
   ((resid 72   and name HB3 ))
   ( resid 72   and name HD% )
      2.300     0.700     0.700 peak  2160 weight  0.10000E+01 volume  0.70774E-02 ppm1      1.046 ppm2      7.059 CV     1
 ASSI { 2161}
   ((resid 72   and name HB3 ))
   ((resid 82   and name HZ  ))
      3.800     1.800     1.800 peak  2161 weight  0.10000E+01 volume  0.35054E-03 ppm1      1.046 ppm2      6.804 CV     1
 ASSI { 2165}
   ((resid 72   and name HB3 ))
   ( resid 82   and name HD% )
      3.000     1.100     1.100 peak  2165 weight  0.10000E+01 volume  0.13473E-02 ppm1      1.049 ppm2      6.966 CV     1
 ASSI { 2166}
   ((resid 72   and name HB2 ))
   ( resid 82   and name HD% )
      3.000     1.100     1.100 peak  2166 weight  0.10000E+01 volume  0.14586E-02 ppm1      2.276 ppm2      6.964 CV     1
 ASSI { 2170}
   ((resid 72   and name HB3 ))
   ((resid 81   and name HA2 ))
      4.000     2.000     2.000 peak  2170 weight  0.10000E+01 volume  0.25034E-03 ppm1      1.043 ppm2      4.351 CV     1
 ASSI { 2176}
   ((resid 72   and name HA  ))
   ( resid 72   and name HD% )
      2.700     0.900     0.900 peak  2176 weight  0.10000E+01 volume  0.25019E-02 ppm1      4.646 ppm2      7.060 CV     1
 ASSI { 2177}
   ((resid 72   and name HA  ))
   ((resid 72   and name HB3 ))
      3.100     1.200     1.200 peak  2177 weight  0.10000E+01 volume  0.11827E-02 ppm1      4.646 ppm2      1.033 CV     1
 ASSI { 2178}
   ((resid 72   and name HA  ))
   ((resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  2178 weight  0.10000E+01 volume  0.24880E-02 ppm1      4.646 ppm2      2.271 CV     1
 ASSI { 2179}
   ((resid 71   and name HB2 ))
   ((resid 71   and name HN  ))
      2.700     0.900     0.900 peak  2179 weight  0.10000E+01 volume  0.23195E-02 ppm1      3.923 ppm2      8.767 CV     1
 ASSI { 2181}
   ((resid 71   and name HB2 ))
   ((resid 84   and name HN  ))
      3.600     1.600     1.600 peak  2181 weight  0.10000E+01 volume  0.49326E-03 ppm1      3.922 ppm2      8.344 CV     1
 ASSI { 2182}
   ((resid 71   and name HB2 ))
   ((resid 84   and name HB2 ))
      3.800     1.800     1.800 peak  2182 weight  0.10000E+01 volume  0.30957E-03 ppm1      3.917 ppm2      1.653 CV     1
 ASSI { 2183}
   ((resid 71   and name HA  ))
   ((resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2183 weight  0.10000E+01 volume  0.19421E-02 ppm1      4.636 ppm2      8.510 CV     1
 ASSI { 2187}
   ((resid 70   and name HB2 ))
   ( resid 115  and name HD% )
      3.600     1.600     1.600 peak  2187 weight  0.10000E+01 volume  0.46899E-03 ppm1      2.929 ppm2      7.384 CV     1
 ASSI { 2188}
   ((resid 70   and name HB2 ))
   ( resid 115  and name HE% )
      3.200     1.300     1.300 peak  2188 weight  0.10000E+01 volume  0.90474E-03 ppm1      2.932 ppm2      7.057 CV     1
 ASSI { 2189}
   ((resid 70   and name HB2 ))
   ((resid 70   and name HD2 ))
      3.500     1.600     1.600 peak  2189 weight  0.10000E+01 volume  0.49976E-03 ppm1      2.933 ppm2      6.415 CV     1
 ASSI { 2192}
   ((resid 70   and name HB2 ))
   ((resid 70   and name HB3 ))
      1.700     0.400     0.500 peak  2192 weight  0.10000E+01 volume  0.37915E-01 ppm1      2.930 ppm2      2.493 CV     1
 ASSI { 2194}
   ((resid 70   and name HB3 ))
   ((resid 70   and name HN  ))
      3.100     1.200     1.200 peak  2194 weight  0.10000E+01 volume  0.12340E-02 ppm1      2.502 ppm2      7.516 CV     1
 ASSI { 2195}
   ((resid 70   and name HB3 ))
   ( resid 115  and name HD% )
      3.800     1.800     1.800 peak  2195 weight  0.10000E+01 volume  0.31637E-03 ppm1      2.503 ppm2      7.388 CV     1
 ASSI { 2196}
   ((resid 70   and name HB3 ))
   ( resid 115  and name HE% )
      3.200     1.300     1.300 peak  2196 weight  0.10000E+01 volume  0.85309E-03 ppm1      2.503 ppm2      7.057 CV     1
 ASSI { 2197}
   ((resid 70   and name HB3 ))
   ((resid 70   and name HD2 ))
      3.700     1.700     1.700 peak  2197 weight  0.10000E+01 volume  0.36632E-03 ppm1      2.505 ppm2      6.427 CV     1
 ASSI { 2203}
   ((resid 70   and name HA  ))
   ((resid 70   and name HB3 ))
      2.900     1.000     1.000 peak  2203 weight  0.10000E+01 volume  0.17690E-02 ppm1      4.592 ppm2      2.502 CV     1
 ASSI { 2204}
   ((resid 70   and name HA  ))
   ((resid 70   and name HB2 ))
      2.800     1.000     1.000 peak  2204 weight  0.10000E+01 volume  0.22236E-02 ppm1      4.591 ppm2      2.931 CV     1
 ASSI { 2206}
   ((resid 69   and name HA  ))
   ((resid 69   and name HN  ))
      2.700     0.900     0.900 peak  2206 weight  0.10000E+01 volume  0.23333E-02 ppm1      4.064 ppm2      9.455 CV     1
 ASSI { 2207}
   ((resid 69   and name HA  ))
   ((resid 85   and name HN  ))
      3.800     1.900     1.900 peak  2207 weight  0.10000E+01 volume  0.30647E-03 ppm1      4.060 ppm2      8.836 CV     1
 ASSI { 2208}
   ((resid 69   and name HA  ))
   ((resid 70   and name HN  ))
      3.000     1.100     1.100 peak  2208 weight  0.10000E+01 volume  0.14955E-02 ppm1      4.058 ppm2      7.520 CV     1
 ASSI { 2209}
   ((resid 69   and name HA  ))
   ((resid 116  and name HA  ))
      4.300     2.300     1.700 peak  2209 weight  0.10000E+01 volume  0.15107E-03 ppm1      4.063 ppm2      5.238 CV     1
 ASSI { 2213}
   ((resid 69   and name HA  ))
   ( resid 68   and name HB% )
      3.400     1.400     1.400 peak  2213 weight  0.10000E+01 volume  0.68068E-03 ppm1      4.061 ppm2      1.661 CV     1
 ASSI { 2214}
   ((resid 69   and name HA  ))
   ((resid 69   and name HG  ))
      2.500     0.800     0.800 peak  2214 weight  0.10000E+01 volume  0.37111E-02 ppm1      4.061 ppm2      1.351 CV     1
 ASSI { 2215}
   ((resid 69   and name HA  ))
   ((resid 69   and name HB2 ))
      2.600     0.800     0.800 peak  2215 weight  0.10000E+01 volume  0.33616E-02 ppm1      4.062 ppm2      1.238 CV     1
 ASSI { 2216}
   ((resid 69   and name HA  ))
   ((resid 69   and name HB3 ))
      2.200     0.600     0.600 peak  2216 weight  0.10000E+01 volume  0.87272E-02 ppm1      4.061 ppm2      1.090 CV     1
 ASSI { 2217}
   ((resid 69   and name HA  ))
   ( resid 69   and name HD2%)
      2.000     0.500     0.500 peak  2217 weight  0.10000E+01 volume  0.15012E-01 ppm1      4.061 ppm2      0.673 CV     1
 ASSI { 2218}
   ((resid 69   and name HB2 ))
   ((resid 69   and name HN  ))
      2.600     0.800     0.800 peak  2218 weight  0.10000E+01 volume  0.35812E-02 ppm1      1.235 ppm2      9.457 CV     1
 ASSI { 2219}
   ((resid 69   and name HB3 ))
   ((resid 69   and name HN  ))
      2.900     1.000     1.000 peak  2219 weight  0.10000E+01 volume  0.17551E-02 ppm1      1.107 ppm2      9.457 CV     1
 ASSI { 2222}
   ((resid 69   and name HB2 ))
   ((resid 70   and name HD2 ))
      3.600     1.600     1.600 peak  2222 weight  0.10000E+01 volume  0.45739E-03 ppm1      1.236 ppm2      6.424 CV     1
 ASSI { 2223}
   ((resid 69   and name HB3 ))
   ((resid 70   and name HD2 ))
      3.600     1.600     1.600 peak  2223 weight  0.10000E+01 volume  0.44518E-03 ppm1      1.114 ppm2      6.432 CV     1
 ASSI { 2224}
   ((resid 69   and name HB2 ))
   ((resid 116  and name HA  ))
      3.900     1.900     1.900 peak  2224 weight  0.10000E+01 volume  0.29364E-03 ppm1      1.236 ppm2      5.246 CV     1
 ASSI { 2227}
   ((resid 69   and name HG  ))
   ((resid 69   and name HN  ))
      2.400     0.700     0.700 peak  2227 weight  0.10000E+01 volume  0.52218E-02 ppm1      1.362 ppm2      9.457 CV     1
 ASSI { 2228}
   ((resid 69   and name HG  ))
   ((resid 117  and name HN  ))
      3.300     1.100     1.100 peak  2228 weight  0.10000E+01 volume  0.14736E-02 ppm1      1.359 ppm2      8.570 CV     1
 ASSI { 2230}
   ((resid 69   and name HG  ))
   ((resid 116  and name HA  ))
      2.700     0.900     0.900 peak  2230 weight  0.10000E+01 volume  0.25947E-02 ppm1      1.361 ppm2      5.244 CV     1
 ASSI { 2238}
   ((resid 67   and name HG13))
   ((resid 119  and name HA  ))
      3.600     1.700     1.700 peak  2238 weight  0.10000E+01 volume  0.43311E-03 ppm1      1.343 ppm2      4.263 CV     1
 ASSI { 2242}
   ((resid 67   and name HG13))
   ((resid 67   and name HG12))
      1.900     0.400     0.400 peak  2242 weight  0.10000E+01 volume  0.24401E-01 ppm1      1.343 ppm2      1.036 CV     1
 ASSI { 2243}
   ((resid 67   and name HG13))
   ( resid 67   and name HD1%)
      2.100     0.500     0.500 peak  2243 weight  0.10000E+01 volume  0.12710E-01 ppm1      1.344 ppm2      0.786 CV     1
 ASSI { 2244}
   ((resid 67   and name HG12))
   ((resid 67   and name HN  ))
      3.200     1.300     1.300 peak  2244 weight  0.10000E+01 volume  0.95375E-03 ppm1      1.038 ppm2      8.966 CV     1
 ASSI { 2245}
   ((resid 67   and name HG12))
   ((resid 85   and name HN  ))
      4.200     2.200     1.800 peak  2245 weight  0.10000E+01 volume  0.19483E-03 ppm1      1.037 ppm2      8.838 CV     1
 ASSI { 2246}
   ((resid 67   and name HG12))
   ((resid 68   and name HN  ))
      3.100     1.200     1.200 peak  2246 weight  0.10000E+01 volume  0.10744E-02 ppm1      1.037 ppm2      8.547 CV     1
 ASSI { 2247}
   ((resid 67   and name HG12))
   ((resid 87   and name HA  ))
      3.800     1.800     1.800 peak  2247 weight  0.10000E+01 volume  0.33153E-03 ppm1      1.038 ppm2      5.238 CV     1
 ASSI { 2248}
   ((resid 67   and name HG12))
   ((resid 119  and name HA  ))
      3.600     1.600     1.600 peak  2248 weight  0.10000E+01 volume  0.44471E-03 ppm1      1.037 ppm2      4.259 CV     1
 ASSI { 2251}
   ((resid 67   and name HG12))
   ((resid 87   and name HG2 ))
      3.400     1.400     1.400 peak  2251 weight  0.10000E+01 volume  0.70464E-03 ppm1      1.038 ppm2      2.085 CV     1
 ASSI { 2255}
   ((resid 67   and name HG12))
   ( resid 67   and name HD1%)
      2.000     0.500     0.500 peak  2255 weight  0.10000E+01 volume  0.13767E-01 ppm1      1.037 ppm2      0.792 CV     1
 ASSI { 2257}
   ((resid 67   and name HB  ))
   ((resid 68   and name HN  ))
      6.00     6.000     1.000 peak  2257 weight  0.10000E+01 volume  0.18850E-02 ppm1      1.559 ppm2      8.548 CV     1
 ASSI { 2260}
   ((resid 67   and name HB  ))
   ((resid 119  and name HA  ))
      3.200     1.300     1.300 peak  2260 weight  0.10000E+01 volume  0.94138E-03 ppm1      1.555 ppm2      4.268 CV     1
 ASSI { 2261}
   ((resid 67   and name HB  ))
   ((resid 87   and name HG2 ))
      3.100     1.200     1.200 peak  2261 weight  0.10000E+01 volume  0.11320E-02 ppm1      1.559 ppm2      2.086 CV     1
 ASSI { 2262}
   ((resid 67   and name HB  ))
   ((resid 87   and name HB2 ))
      5.600     1.600     1.600 peak  2262 weight  0.10000E+01 volume  0.49280E-03 ppm1      1.560 ppm2      1.997 CV     1
 ASSI { 2264}
   ((resid 67   and name HB  ))
   ( resid 69   and name HD2%)
      6.000     1.100     1.000 peak  2264 weight  0.10000E+01 volume  0.16514E-02 ppm1      1.560 ppm2      0.674 CV     1
 OR { 2264}
   ((resid 67   and name HB  ))
   ( resid 69   and name HD1%)
 ASSI { 2265}
   ((resid 67   and name HB  ))
   ( resid 67   and name HG2%)
      2.200     0.600     0.600 peak  2265 weight  0.10000E+01 volume  0.89995E-02 ppm1      1.559 ppm2      0.778 CV     1
 OR { 2265}
   ((resid 67   and name HB  ))
   ( resid 67   and name HD1%)
 ASSI { 2266}
   ((resid 67   and name HB  ))
   ((resid 67   and name HG12))
      2.600     0.800     0.800 peak  2266 weight  0.10000E+01 volume  0.33184E-02 ppm1      1.559 ppm2      1.035 CV     1
 ASSI { 2267}
   ((resid 67   and name HB  ))
   ( resid 119  and name HB% )
      3.500     0.800     0.800 peak  2267 weight  0.10000E+01 volume  0.46003E-02 ppm1      1.559 ppm2      1.244 CV     1
 ASSI { 2268}
   ((resid 67   and name HB  ))
   ((resid 67   and name HG13))
      2.100     0.600     0.600 peak  2268 weight  0.10000E+01 volume  0.10748E-01 ppm1      1.557 ppm2      1.342 CV     1
 ASSI { 2270}
   ( resid 65   and name HD2%)
   ((resid 88   and name HN  ))
      3.000     1.100     1.100 peak  2270 weight  0.10000E+01 volume  0.14574E-02 ppm1      0.842 ppm2      8.755 CV     1
 ASSI { 2274}
   ( resid 65   and name HD2%)
   ((resid 87   and name HE22))
      3.600     1.600     1.600 peak  2274 weight  0.10000E+01 volume  0.44007E-03 ppm1      0.845 ppm2      6.712 CV     1
 ASSI { 2275}
   ( resid 65   and name HD2%)
   ((resid 65   and name HA  ))
      2.900     1.100     1.100 peak  2275 weight  0.10000E+01 volume  0.16483E-02 ppm1      0.845 ppm2      5.192 CV     1
 ASSI { 2276}
   ( resid 65   and name HD2%)
   ((resid 89   and name HA  ))
      3.200     1.300     1.300 peak  2276 weight  0.10000E+01 volume  0.89052E-03 ppm1      0.844 ppm2      5.013 CV     1
 ASSI { 2280}
   ((resid 65   and name HB2 ))
   ((resid 65   and name HN  ))
      2.400     0.700     0.700 peak  2280 weight  0.10000E+01 volume  0.58156E-02 ppm1      1.677 ppm2      7.897 CV     1
 ASSI { 2281}
   ((resid 65   and name HB2 ))
   ((resid 65   and name HA  ))
      2.600     0.800     0.800 peak  2281 weight  0.10000E+01 volume  0.32812E-02 ppm1      1.677 ppm2      5.192 CV     1
 ASSI { 2283}
   ((resid 65   and name HB2 ))
   ((resid 65   and name HG  ))
      3.600     1.000    1.000 peak  2283 weight  0.10000E+01 volume  0.12231E-01 ppm1      1.680 ppm2      1.514 CV     1
 ASSI { 2285}
   ((resid 65   and name HB2 ))
   ( resid 119  and name HB% )
      3.800     1.200     1.200 peak  2285 weight  0.10000E+01 volume  0.12009E-02 ppm1      1.677 ppm2      1.256 CV     1
 ASSI { 2287}
   ((resid 65   and name HB2 ))
   ( resid 65   and name HD2%)
      2.600     0.800     0.800 peak  2287 weight  0.10000E+01 volume  0.32936E-02 ppm1      1.678 ppm2      0.842 CV     1
 ASSI { 2292}
   ((resid 64   and name HB3 ))
   ((resid 65   and name HN  ))
      3.500     1.500     1.500 peak  2292 weight  0.10000E+01 volume  0.56765E-03 ppm1      2.978 ppm2      7.893 CV     1
 ASSI { 2293}
   ((resid 64   and name HB2 ))
   ((resid 65   and name HN  ))
      3.600     1.600     1.600 peak  2293 weight  0.10000E+01 volume  0.47548E-03 ppm1      2.875 ppm2      7.889 CV     1
 ASSI { 2294}
   ((resid 64   and name HB2 ))
   ((resid 64   and name HD21))
      2.600     0.900     0.900 peak  2294 weight  0.10000E+01 volume  0.31591E-02 ppm1      2.871 ppm2      7.322 CV     1
 ASSI { 2295}
   ((resid 64   and name HB3 ))
   ((resid 64   and name HD21))
      2.600     0.900     0.900 peak  2295 weight  0.10000E+01 volume  0.29535E-02 ppm1      2.978 ppm2      7.322 CV     1
 ASSI { 2298}
   ((resid 64   and name HB3 ))
   ((resid 90   and name HG12))
      3.700     1.700     1.700 peak  2298 weight  0.10000E+01 volume  0.38549E-03 ppm1      2.974 ppm2      1.564 CV     1
 ASSI { 2299}
   ((resid 64   and name HB2 ))
   ((resid 90   and name HG12))
      3.600     1.600     1.600 peak  2299 weight  0.10000E+01 volume  0.46436E-03 ppm1      2.874 ppm2      1.564 CV     1
 ASSI { 2301}
   ((resid 64   and name HB3 ))
   ((resid 90   and name HB  ))
      2.900     1.000     1.000 peak  2301 weight  0.10000E+01 volume  0.17056E-02 ppm1      2.977 ppm2      1.965 CV     1
 ASSI { 2304}
   ((resid 64   and name HB3 ))
   ((resid 64   and name HB2 ))
      1.600     0.300     0.600 peak  2304 weight  0.10000E+01 volume  0.60970E-01 ppm1      2.876 ppm2      2.960 CV     1
 ASSI { 2306}
   ((resid 64   and name HB2 ))
   ((resid 89   and name HG2 ))
      4.000     2.000     2.000 peak  2306 weight  0.10000E+01 volume  0.25654E-03 ppm1      2.875 ppm2      1.271 CV     1
 ASSI { 2307}
   ((resid 64   and name HB2 ))
   ( resid 90   and name HD1%)
      4.000     2.000     2.000 peak  2307 weight  0.10000E+01 volume  0.23441E-03 ppm1      2.875 ppm2      0.770 CV     1
 ASSI { 2308}
   ((resid 64   and name HB2 ))
   ( resid 90   and name HG2%)
      3.600     1.600     1.600 peak  2308 weight  0.10000E+01 volume  0.46713E-03 ppm1      2.872 ppm2      0.546 CV     1
 ASSI { 2310}
   ((resid 64   and name HB3 ))
   ( resid 90   and name HD1%)
      3.600     1.600     1.600 peak  2310 weight  0.10000E+01 volume  0.48399E-03 ppm1      2.980 ppm2      0.768 CV     1
 ASSI { 2311}
   ((resid 64   and name HB3 ))
   ((resid 89   and name HG2 ))
      3.900     1.900     1.900 peak  2311 weight  0.10000E+01 volume  0.28529E-03 ppm1      2.978 ppm2      1.269 CV     1
 ASSI { 2372}
   ( resid 65   and name HD2%)
   ((resid 87   and name HB3 ))
      3.100     1.200     1.200 peak  2372 weight  0.10000E+01 volume  0.12083E-02 ppm1      0.843 ppm2      2.083 CV     1
 ASSI { 2449}
   ((resid 92   and name HA  ))
   ((resid 91   and name HN  ))
      4.000     2.000     2.000 peak  2449 weight  0.10000E+01 volume  0.23148E-03 ppm1      4.304 ppm2      9.212 CV     1
 ASSI { 2450}
   ((resid 92   and name HA  ))
   ((resid 92   and name HB3 ))
      2.200     0.600     0.600 peak  2450 weight  0.10000E+01 volume  0.89485E-02 ppm1      4.302 ppm2      2.035 CV     1
 ASSI { 2454}
   ((resid 115  and name HB3 ))
   ( resid 82   and name HD% )
      3.400     1.500     1.500 peak  2454 weight  0.10000E+01 volume  0.62145E-03 ppm1      3.629 ppm2      6.967 CV     1
 ASSI { 2456}
   ( resid 69   and name HD1%)
   ((resid 69   and name HB2 ))
      3.300     0.800     0.800 peak  2456 weight  0.10000E+01 volume  0.44348E-02 ppm1      0.655 ppm2      1.223 CV     1
 ASSI { 2457}
   ( resid 69   and name HD2%)
   ((resid 69   and name HB2 ))
      2.500     0.800     0.800 peak  2457 weight  0.10000E+01 volume  0.44981E-02 ppm1      0.681 ppm2      1.232 CV     1
 ASSI { 2459}
   ( resid 66   and name HG1%)
   ((resid 118  and name HN  ))
      3.600     1.600     1.600 peak  2459 weight  0.10000E+01 volume  0.48337E-03 ppm1      0.790 ppm2      8.606 CV     1
 ASSI { 2460}
   ((resid 118  and name HG3 ))
   ((resid 120  and name HN  ))
      4.400     2.400     1.600 peak  2460 weight  0.10000E+01 volume  0.13375E-03 ppm1      1.755 ppm2      7.915 CV     1
 ASSI { 2461}
   ((resid 118  and name HB2 ))
   ((resid 120  and name HN  ))
      4.000     2.000     2.000 peak  2461 weight  0.10000E+01 volume  0.24632E-03 ppm1      1.897 ppm2      7.913 CV     1
 ASSI { 2462}
   ((resid 87   and name HB2 ))
   ((resid 103  and name HN  ))
      4.600     2.600     1.400 peak  2462 weight  0.10000E+01 volume  0.11103E-03 ppm1      2.006 ppm2      8.869 CV     1
 ASSI { 2463}
   ((resid 87   and name HB2 ))
   ((resid 66   and name HN  ))
      4.600     2.600     1.400 peak  2463 weight  0.10000E+01 volume  0.10530E-03 ppm1      2.006 ppm2      9.042 CV     1
 ASSI { 2464}
   ( resid 90   and name HG2%)
   ((resid 93   and name HE21))
      5.000     3.100     1.000 peak  2464 weight  0.10000E+01 volume  0.64481E-04 ppm1      0.552 ppm2      6.515 CV     1
 ASSI { 2465}
   ((resid 99   and name HD2 ))
   ((resid 92   and name HN  ))
      4.600     2.700     1.400 peak  2465 weight  0.10000E+01 volume  0.99891E-04 ppm1      1.102 ppm2      7.678 CV     1
 ASSI { 2466}
   ((resid 99   and name HG3 ))
   ((resid 92   and name HN  ))
      4.000     2.000     2.000 peak  2466 weight  0.10000E+01 volume  0.23597E-03 ppm1      1.363 ppm2      7.672 CV     1
 ASSI { 2468}
   ((resid 99   and name HB2 ))
   ((resid 98   and name HA  ))
      4.800     2.800     1.200 peak  2468 weight  0.10000E+01 volume  0.86438E-04 ppm1      1.579 ppm2      5.440 CV     1
 ASSI { 2469}
   ((resid 99   and name HB3 ))
   ((resid 100  and name HA  ))
      4.000     2.000     2.000 peak  2469 weight  0.10000E+01 volume  0.26179E-03 ppm1      1.663 ppm2      5.455 CV     1
 ASSI { 2470}
   ((resid 89   and name HD3 ))
   ((resid 101  and name HN  ))
      4.900     3.000     1.100 peak  2470 weight  0.10000E+01 volume  0.74686E-04 ppm1      3.129 ppm2      8.954 CV     1
 ASSI { 2471}
   ((resid 89   and name HD3 ))
   ((resid 89   and name HN  ))
      5.300     3.500     0.700 peak  2471 weight  0.10000E+01 volume  0.46698E-04 ppm1      3.129 ppm2      8.752 CV     1
 ASSI { 2472}
   ((resid 89   and name HD2 ))
   ((resid 89   and name HN  ))
      4.200     2.200     1.800 peak  2472 weight  0.10000E+01 volume  0.18896E-03 ppm1      3.173 ppm2      8.753 CV     1
 ASSI { 2473}
   ((resid 103  and name HG  ))
   ((resid 103  and name HA  ))
      2.600     0.900     0.900 peak  2473 weight  0.10000E+01 volume  0.30864E-02 ppm1      1.702 ppm2      4.292 CV     1
 ASSI { 2475}
   ((resid 103  and name HG  ))
   ((resid 104  and name HN  ))
      4.100     2.100     1.900 peak  2475 weight  0.10000E+01 volume  0.19607E-03 ppm1      1.707 ppm2      8.475 CV     1
 ASSI { 2476}
   ((resid 103  and name HG  ))
   ((resid 89   and name HN  ))
      3.400     1.400     1.400 peak  2476 weight  0.10000E+01 volume  0.70264E-03 ppm1      1.703 ppm2      8.759 CV     1
 ASSI { 2477}
   ((resid 103  and name HG  ))
   ((resid 103  and name HN  ))
      2.800     1.000     1.000 peak  2477 weight  0.10000E+01 volume  0.21478E-02 ppm1      1.702 ppm2      8.875 CV     1
 ASSI { 2481}
   ((resid 120  and name HA  ))
   ((resid 120  and name HB3 ))
      2.500     0.800     0.800 peak  2481 weight  0.10000E+01 volume  0.40853E-02 ppm1      4.423 ppm2      2.693 CV     1
 OR { 2481}
   ((resid 120  and name HA  ))
   ((resid 120  and name HB2 ))
 ASSI { 2485}
   ((resid 120  and name HB2 ))
   ((resid 120  and name HD22))
      4.000     2.000     2.000 peak  2485 weight  0.10000E+01 volume  0.24107E-03 ppm1      2.676 ppm2      7.496 CV     1
 ASSI { 2486}
   ((resid 120  and name HB3 ))
   ((resid 120  and name HA  ))
      3.600     1.600     1.600 peak  2486 weight  0.10000E+01 volume  0.45183E-03 ppm1      2.715 ppm2      4.420 CV     1
 ASSI { 2487}
   ((resid 120  and name HB2 ))
   ((resid 120  and name HA  ))
      3.100     1.200     1.200 peak  2487 weight  0.10000E+01 volume  0.11748E-02 ppm1      2.674 ppm2      4.420 CV     1
 ASSI { 2506}
   ((resid 65   and name HB2 ))
   ((resid 88   and name HN  ))
      5.700     4.100     0.300 peak  2506 weight  0.10000E+01 volume  0.28761E-04 ppm1      1.674 ppm2      8.757 CV     1
 ASSI { 2508}
   ((resid 74   and name HG2 ))
   ((resid 81   and name HN  ))
      3.600     1.600     1.600 peak  2508 weight  0.10000E+01 volume  0.47286E-03 ppm1      2.045 ppm2      8.188 CV     1
 ASSI { 2509}
   ((resid 74   and name HG3 ))
   ((resid 75   and name HN  ))
      4.600     2.700     1.400 peak  2509 weight  0.10000E+01 volume  0.98808E-04 ppm1      1.804 ppm2      8.573 CV     1
 ASSI { 2510}
   ((resid 74   and name HG3 ))
   ((resid 74   and name HA  ))
      3.400     1.500     1.500 peak  2510 weight  0.10000E+01 volume  0.59269E-03 ppm1      1.804 ppm2      3.973 CV     1
 ASSI { 2511}
   ((resid 74   and name HG3 ))
   ((resid 81   and name HA2 ))
      3.400     1.400     1.400 peak  2511 weight  0.10000E+01 volume  0.67341E-03 ppm1      1.802 ppm2      4.360 CV     1
 ASSI { 2512}
   ((resid 74   and name HG3 ))
   ((resid 73   and name HA  ))
      3.600     1.600     1.600 peak  2512 weight  0.10000E+01 volume  0.44873E-03 ppm1      1.798 ppm2      4.511 CV     1
 ASSI { 2515}
   ( resid 67   and name HG2%)
   ((resid 69   and name HN  ))
      5.200     3.400     0.800 peak  2515 weight  0.10000E+01 volume  0.49326E-04 ppm1      0.771 ppm2      9.464 CV     1
 ASSI { 2516}
   ((resid 70   and name HB3 ))
   ((resid 69   and name HN  ))
      4.600     2.700     1.400 peak  2516 weight  0.10000E+01 volume  0.99581E-04 ppm1      2.502 ppm2      9.455 CV     1
 ASSI { 2517}
   ((resid 70   and name HB2 ))
   ((resid 69   and name HN  ))
      4.700     2.800     1.300 peak  2517 weight  0.10000E+01 volume  0.92314E-04 ppm1      2.930 ppm2      9.451 CV     1
 ASSI { 2519}
   ((resid 86   and name HB2 ))
   ((resid 68   and name HN  ))
      4.600     2.700     1.400 peak  2519 weight  0.10000E+01 volume  0.10422E-03 ppm1      2.392 ppm2      8.538 CV     1
 ASSI { 2520}
   ((resid 64   and name HB3 ))
   ((resid 89   and name HG3 ))
      4.200     2.200     1.800 peak  2520 weight  0.10000E+01 volume  0.17195E-03 ppm1      2.974 ppm2      1.460 CV     1
 ASSI { 2540}
   ((resid 80   and name HA  ))
   ((resid 80   and name HB3 ))
      2.600     0.900     0.900 peak  2540 weight  0.10000E+01 volume  0.29457E-02 ppm1      4.541 ppm2     13.030 CV     1
 ASSI { 2541}
   ((resid 80   and name HA  ))
   ((resid 80   and name HB2 ))
      2.200     0.600     0.600 peak  2541 weight  0.10000E+01 volume  0.78629E-02 ppm1      4.540 ppm2     12.067 CV     1
 ASSI { 2544}
   ((resid 80   and name HA  ))
   ((resid 81   and name HN  ))
      2.100     0.500     0.500 peak  2544 weight  0.10000E+01 volume  0.13221E-01 ppm1      4.542 ppm2     19.450 CV     1
 ASSI { 2559}
   ((resid 96   and name HB2 ))
   ( resid 113  and name HD% )
      3.100     1.200     1.200 peak  2559 weight  0.10000E+01 volume  0.11154E-02 ppm1      1.847 ppm2      6.904 CV     1
 ASSI { 2560}
   ((resid 96   and name HB2 ))
   ((resid 97   and name HD1 ))
      3.500     1.500     1.500 peak  2560 weight  0.10000E+01 volume  0.57012E-03 ppm1      1.842 ppm2      7.089 CV     1
 ASSI { 2561}
   ((resid 96   and name HB2 ))
   ((resid 96   and name HN  ))
      3.300     1.300     1.300 peak  2561 weight  0.10000E+01 volume  0.79510E-03 ppm1      1.847 ppm2      8.624 CV     1
 ASSI { 2562}
   ((resid 96   and name HB2 ))
   ((resid 96   and name HA  ))
      2.500     0.800     0.800 peak  2562 weight  0.10000E+01 volume  0.43296E-02 ppm1      1.845 ppm2      3.784 CV     1
 ASSI { 2565}
   ((resid 102  and name HB2 ))
   ((resid 103  and name HN  ))
      3.500     1.600     1.600 peak  2565 weight  0.10000E+01 volume  0.50517E-03 ppm1      4.212 ppm2     20.142 CV     1
 ASSI { 2566}
   ((resid 102  and name HB3 ))
   ((resid 103  and name HN  ))
      4.300     2.300     1.700 peak  2566 weight  0.10000E+01 volume  0.16530E-03 ppm1      4.051 ppm2     20.140 CV     1
 ASSI { 2579}
   ((resid 118  and name HE3 ))
   ((resid 98   and name HE3 ))
      6.000     4.500     0.000 peak  2579 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.042 ppm2      7.210 CV     1
 OR { 2579}
   ((resid 118  and name HE2 ))
   ((resid 98   and name HE3 ))
 ASSI { 2585}
   ((resid 117  and name HB% ))
   ((resid 66  and name HG1%  ))
      5.800     2.300    0.800



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASN  64           HN       ASN  64   1.154   2.915  12.878
    2    HA   ASN  64           HA       ASN  64   3.390   2.259  11.266
    3   1HB   ASN  64          2HB       ASN  64   1.361   0.115  11.781
    4   2HB   ASN  64          3HB       ASN  64   2.055   0.260  10.173
    5   1HD2  ASN  64          1HD2      ASN  64   2.354  -1.965  11.855
    6   2HD2  ASN  64          2HD2      ASN  64   4.030  -2.120  12.242
    7    H    LEU  65           HN       LEU  65   1.232   4.236  11.631
    8    HA   LEU  65           HA       LEU  65  -0.470   3.896   9.346
    9   1HB   LEU  65          2HB       LEU  65  -1.486   4.978  11.142
   10   2HB   LEU  65          3HB       LEU  65  -0.163   6.095  11.359
   11    HG   LEU  65           HG       LEU  65  -0.758   7.159   9.244
   12   1HD1  LEU  65          1HD1      LEU  65  -3.369   6.208   8.831
   13   2HD1  LEU  65          2HD1      LEU  65  -1.975   6.073   7.756
   14   3HD1  LEU  65          3HD1      LEU  65  -2.311   4.801   8.932
   15   1HD2  LEU  65          1HD2      LEU  65  -2.870   8.193   9.995
   16   2HD2  LEU  65          2HD2      LEU  65  -3.018   6.935  11.223
   17   3HD2  LEU  65          3HD2      LEU  65  -1.676   8.078  11.288
   18    H    VAL  66           HN       VAL  66  -0.476   4.951   7.521
   19    HA   VAL  66           HA       VAL  66   1.863   6.603   6.832
   20    HB   VAL  66           HB       VAL  66   1.481   5.646   4.509
   21   1HG1  VAL  66          1HG1      VAL  66   2.604   4.010   6.757
   22   2HG1  VAL  66          2HG1      VAL  66   2.825   3.595   5.057
   23   3HG1  VAL  66          3HG1      VAL  66   3.469   5.112   5.685
   24   1HG2  VAL  66          1HG2      VAL  66   0.569   3.328   4.501
   25   2HG2  VAL  66          2HG2      VAL  66  -0.013   3.615   6.140
   26   3HG2  VAL  66          3HG2      VAL  66  -0.634   4.581   4.802
   27    H    ILE  67           HN       ILE  67   1.342   7.508   4.468
   28    HA   ILE  67           HA       ILE  67  -1.381   8.442   4.259
   29    HB   ILE  67           HB       ILE  67   0.714  10.119   5.342
   30   1HG1  ILE  67          2HG1      ILE  67  -2.238  10.342   4.847
   31   2HG1  ILE  67          3HG1      ILE  67  -1.432   9.929   6.333
   32   1HG2  ILE  67          1HG2      ILE  67   0.200  12.137   3.990
   33   2HG2  ILE  67          2HG2      ILE  67   1.089  10.909   3.090
   34   3HG2  ILE  67          3HG2      ILE  67  -0.645  11.108   2.835
   35   1HD1  ILE  67          1HD1      ILE  67  -2.318  12.446   5.468
   36   2HD1  ILE  67          2HD1      ILE  67  -1.450  12.049   6.952
   37   3HD1  ILE  67          3HD1      ILE  67  -0.554  12.503   5.502
   38    H    ALA  68           HN       ALA  68  -2.009   8.461   2.247
   39    HA   ALA  68           HA       ALA  68  -0.324   7.633   0.150
   40   1HB   ALA  68          1HB       ALA  68  -2.226   7.302  -0.962
   41   2HB   ALA  68          2HB       ALA  68  -3.034   7.776   0.533
   42   3HB   ALA  68          3HB       ALA  68  -2.754   8.970  -0.736
   43    H    LEU  69           HN       LEU  69   0.323   8.681  -1.740
   44    HA   LEU  69           HA       LEU  69   0.581  11.610  -1.507
   45   1HB   LEU  69          2HB       LEU  69   2.520   9.566  -2.578
   46   2HB   LEU  69          3HB       LEU  69   2.707  11.293  -2.831
   47    HG   LEU  69           HG       LEU  69   2.678   9.922  -0.137
   48   1HD1  LEU  69          1HD1      LEU  69   5.101  10.890  -0.206
   49   2HD1  LEU  69          2HD1      LEU  69   4.751   9.346  -0.980
   50   3HD1  LEU  69          3HD1      LEU  69   4.883  10.812  -1.953
   51   1HD2  LEU  69          1HD2      LEU  69   1.791  12.148   0.040
   52   2HD2  LEU  69          2HD2      LEU  69   3.439  12.149   0.667
   53   3HD2  LEU  69          3HD2      LEU  69   3.106  12.798  -0.938
   54    H    HIS  70           HN       HIS  70  -1.252   9.561  -3.020
   55    HA   HIS  70           HA       HIS  70  -1.658  11.180  -5.318
   56   1HB   HIS  70          2HB       HIS  70  -1.238   8.725  -6.619
   57   2HB   HIS  70          3HB       HIS  70  -0.283  10.190  -6.789
   58    HD1  HIS  70           1HD      HIS  70   1.972   9.077  -7.046
   59    HD2  HIS  70           2HD      HIS  70  -0.029   7.879  -3.612
   60    HE1  HIS  70           1HE      HIS  70   3.659   7.790  -5.703
   61    HE2  HIS  70           2HE      HIS  70   2.476   7.249  -3.548
   62    H    SER  71           HN       SER  71  -3.671  10.836  -6.205
   63    HA   SER  71           HA       SER  71  -5.598   9.488  -4.703
   64   1HB   SER  71          2HB       SER  71  -6.141   9.810  -7.602
   65   2HB   SER  71          3HB       SER  71  -7.112  10.292  -6.213
   66    HG   SER  71           HG       SER  71  -5.816  12.086  -5.952
   67    H    TYR  72           HN       TYR  72  -6.083   7.402  -4.513
   68    HA   TYR  72           HA       TYR  72  -4.954   5.551  -6.497
   69   1HB   TYR  72          2HB       TYR  72  -4.353   5.255  -4.079
   70   2HB   TYR  72          3HB       TYR  72  -6.033   4.860  -3.770
   71    HD1  TYR  72           1HD      TYR  72  -6.164   2.609  -3.275
   72    HD2  TYR  72           2HD      TYR  72  -3.728   3.849  -6.533
   73    HE1  TYR  72           1HE      TYR  72  -5.737   0.259  -3.845
   74    HE2  TYR  72           2HE      TYR  72  -3.303   1.501  -7.115
   75    HH   TYR  72           HH       TYR  72  -4.841  -0.833  -6.564
   76    H    GLU  73           HN       GLU  73  -6.104   3.946  -7.458
   77    HA   GLU  73           HA       GLU  73  -8.992   3.860  -7.057
   78   1HB   GLU  73          2HB       GLU  73  -7.650   4.910  -9.313
   79   2HB   GLU  73          3HB       GLU  73  -8.463   3.438  -9.800
   80   1HG   GLU  73          2HG       GLU  73 -10.569   4.280  -9.099
   81   2HG   GLU  73          3HG       GLU  73  -9.806   5.656  -8.301
   82    HA   PRO  74           HA       PRO  74  -7.395  -0.356  -6.290
   83   1HB   PRO  74          2HB       PRO  74 -10.195  -1.057  -6.257
   84   2HB   PRO  74          3HB       PRO  74  -9.056  -0.992  -4.912
   85   1HG   PRO  74          2HG       PRO  74 -11.018   1.013  -5.795
   86   2HG   PRO  74          3HG       PRO  74 -10.247   0.810  -4.213
   87   1HD   PRO  74          2HD       PRO  74  -9.613   2.856  -5.867
   88   2HD   PRO  74          3HD       PRO  74  -8.406   2.080  -4.815
   89    H    SER  75           HN       SER  75  -6.790  -1.710  -7.815
   90    HA   SER  75           HA       SER  75  -8.548  -2.129 -10.141
   91   1HB   SER  75          2HB       SER  75  -5.658  -1.470 -10.010
   92   2HB   SER  75          3HB       SER  75  -6.125  -2.698 -11.187
   93    HG   SER  75           HG       SER  75  -7.546  -1.220 -12.110
   94    H    HIS  76           HN       HIS  76  -6.051  -3.504  -8.043
   95    HA   HIS  76           HA       HIS  76  -6.426  -6.171  -9.066
   96   1HB   HIS  76          2HB       HIS  76  -4.695  -4.883  -7.011
   97   2HB   HIS  76          3HB       HIS  76  -5.023  -6.603  -6.826
   98    HD1  HIS  76           1HD      HIS  76  -4.537  -4.913 -10.161
   99    HD2  HIS  76           2HD      HIS  76  -2.535  -7.500  -7.599
  100    HE1  HIS  76           1HE      HIS  76  -2.549  -5.742 -11.460
  101    HE2  HIS  76           2HE      HIS  76  -1.300  -7.228  -9.855
  102    H    ASP  77           HN       ASP  77  -7.086  -7.981  -7.696
  103    HA   ASP  77           HA       ASP  77  -9.573  -7.481  -6.436
  104   1HB   ASP  77          2HB       ASP  77  -7.902  -9.840  -7.034
  105   2HB   ASP  77          3HB       ASP  77  -8.962 -10.011  -5.638
  106    H    GLY  78           HN       GLY  78 -10.168  -7.465  -4.296
  107   1HA   GLY  78          1HA       GLY  78  -9.944  -7.212  -2.022
  108   2HA   GLY  78          2HA       GLY  78  -8.505  -8.211  -2.145
  109    H    ASP  79           HN       ASP  79  -9.068  -5.072  -3.683
  110    HA   ASP  79           HA       ASP  79  -6.753  -4.052  -2.188
  111   1HB   ASP  79          2HB       ASP  79  -7.901  -3.229  -4.856
  112   2HB   ASP  79          3HB       ASP  79  -6.623  -2.343  -4.028
  113    H    LEU  80           HN       LEU  80  -6.771  -1.866  -1.476
  114    HA   LEU  80           HA       LEU  80  -9.468  -0.894  -0.822
  115   1HB   LEU  80          2HB       LEU  80  -8.548  -1.306   1.242
  116   2HB   LEU  80          3HB       LEU  80  -6.913  -1.009   0.695
  117    HG   LEU  80           HG       LEU  80  -7.578   1.466   0.615
  118   1HD1  LEU  80          1HD1      LEU  80  -9.983   0.244   1.817
  119   2HD1  LEU  80          2HD1      LEU  80  -9.386   1.723   2.575
  120   3HD1  LEU  80          3HD1      LEU  80  -9.813   1.718   0.863
  121   1HD2  LEU  80          1HD2      LEU  80  -7.077  -0.219   3.001
  122   2HD2  LEU  80          2HD2      LEU  80  -6.074   1.033   2.270
  123   3HD2  LEU  80          3HD2      LEU  80  -7.468   1.481   3.254
  124    H    GLY  81           HN       GLY  81 -10.062   1.066  -1.541
  125   1HA   GLY  81          1HA       GLY  81  -8.082   2.599  -3.050
  126   2HA   GLY  81          2HA       GLY  81  -9.820   2.808  -3.135
  127    H    PHE  82           HN       PHE  82  -7.518   4.670  -2.629
  128    HA   PHE  82           HA       PHE  82  -8.758   6.051  -0.385
  129   1HB   PHE  82          2HB       PHE  82  -6.308   6.635   0.344
  130   2HB   PHE  82          3HB       PHE  82  -7.061   5.142   0.882
  131    HD1  PHE  82           1HD      PHE  82  -6.631   3.062  -0.661
  132    HD2  PHE  82           2HD      PHE  82  -4.201   6.551  -0.582
  133    HE1  PHE  82           1HE      PHE  82  -4.759   1.779  -1.610
  134    HE2  PHE  82           2HE      PHE  82  -2.317   5.265  -1.528
  135    HZ   PHE  82           HZ       PHE  82  -2.603   2.878  -2.038
  136    H    GLU  83           HN       GLU  83  -7.566   8.270  -0.127
  137    HA   GLU  83           HA       GLU  83  -7.361   9.383  -2.843
  138   1HB   GLU  83          2HB       GLU  83  -8.697  10.223  -0.401
  139   2HB   GLU  83          3HB       GLU  83  -7.679  11.492  -1.058
  140   1HG   GLU  83          2HG       GLU  83  -9.005  10.510  -3.267
  141   2HG   GLU  83          3HG       GLU  83 -10.219  10.471  -1.991
  142    H    LYS  84           HN       LYS  84  -6.003  11.478  -2.872
  143    HA   LYS  84           HA       LYS  84  -3.353  10.784  -2.062
  144   1HB   LYS  84          2HB       LYS  84  -3.504  11.984  -4.082
  145   2HB   LYS  84          3HB       LYS  84  -4.570  13.192  -3.385
  146   1HG   LYS  84          2HG       LYS  84  -2.596  13.839  -1.909
  147   2HG   LYS  84          3HG       LYS  84  -1.615  12.851  -2.991
  148   1HD   LYS  84          2HD       LYS  84  -1.853  14.289  -4.745
  149   2HD   LYS  84          3HD       LYS  84  -3.423  14.878  -4.197
  150   1HE   LYS  84          2HE       LYS  84  -1.048  15.472  -2.515
  151   2HE   LYS  84          3HE       LYS  84  -1.219  16.353  -4.033
  152   1HZ   LYS  84          1HZ       LYS  84  -3.598  16.207  -2.370
  153   2HZ   LYS  84          2HZ       LYS  84  -2.982  17.500  -3.270
  154   3HZ   LYS  84          3HZ       LYS  84  -2.327  17.138  -1.753
  155    H    GLY  85           HN       GLY  85  -2.331  11.280  -0.233
  156   1HA   GLY  85          1HA       GLY  85  -1.797  12.480   1.712
  157   2HA   GLY  85          2HA       GLY  85  -3.172  13.540   1.402
  158    H    GLU  86           HN       GLU  86  -4.645  10.786   0.970
  159    HA   GLU  86           HA       GLU  86  -6.029  10.703   3.372
  160   1HB   GLU  86          2HB       GLU  86  -6.300   9.498   0.957
  161   2HB   GLU  86          3HB       GLU  86  -5.714   8.149   1.911
  162   1HG   GLU  86          2HG       GLU  86  -8.327   9.055   1.652
  163   2HG   GLU  86          3HG       GLU  86  -7.724   7.797   2.708
  164    H    GLN  87           HN       GLN  87  -6.087   8.810   4.880
  165    HA   GLN  87           HA       GLN  87  -3.361   7.836   5.392
  166   1HB   GLN  87          2HB       GLN  87  -5.329   8.406   7.586
  167   2HB   GLN  87          3HB       GLN  87  -3.600   8.134   7.716
  168   1HG   GLN  87          2HG       GLN  87  -3.080  10.256   7.240
  169   2HG   GLN  87          3HG       GLN  87  -4.374  10.418   6.057
  170   1HE2  GLN  87          1HE2      GLN  87  -3.851  10.129   9.548
  171   2HE2  GLN  87          2HE2      GLN  87  -5.123  11.205  10.004
  172    H    LEU  88           HN       LEU  88  -3.114   5.833   6.195
  173    HA   LEU  88           HA       LEU  88  -5.431   4.108   6.592
  174   1HB   LEU  88          2HB       LEU  88  -3.311   2.981   4.861
  175   2HB   LEU  88          3HB       LEU  88  -5.022   2.618   4.916
  176    HG   LEU  88           HG       LEU  88  -4.442   5.302   3.899
  177   1HD1  LEU  88          1HD1      LEU  88  -3.198   4.834   2.073
  178   2HD1  LEU  88          2HD1      LEU  88  -2.554   3.578   3.135
  179   3HD1  LEU  88          3HD1      LEU  88  -3.801   3.181   1.950
  180   1HD2  LEU  88          1HD2      LEU  88  -5.940   2.982   2.705
  181   2HD2  LEU  88          2HD2      LEU  88  -6.637   4.113   3.873
  182   3HD2  LEU  88          3HD2      LEU  88  -6.101   4.694   2.294
  183    H    ARG  89           HN       ARG  89  -5.087   2.780   8.225
  184    HA   ARG  89           HA       ARG  89  -2.509   2.721   9.476
  185   1HB   ARG  89          2HB       ARG  89  -4.346   2.856  10.958
  186   2HB   ARG  89          3HB       ARG  89  -5.201   1.551  10.146
  187   1HG   ARG  89          2HG       ARG  89  -3.608  -0.043  10.944
  188   2HG   ARG  89          3HG       ARG  89  -2.634   1.237  11.648
  189   1HD   ARG  89          2HD       ARG  89  -4.748   1.840  12.958
  190   2HD   ARG  89          3HD       ARG  89  -5.318   0.241  12.511
  191    HE   ARG  89           HE       ARG  89  -2.700   0.383  13.761
  192   1HH1  ARG  89          2HH1      ARG  89  -6.122  -0.191  14.176
  193   2HH1  ARG  89          1HH1      ARG  89  -5.919  -1.071  15.653
  194   1HH2  ARG  89          2HH2      ARG  89  -2.439  -0.773  15.705
  195   2HH2  ARG  89          1HH2      ARG  89  -3.832  -1.401  16.521
  196    H    ILE  90           HN       ILE  90  -1.060   1.544   8.447
  197    HA   ILE  90           HA       ILE  90  -1.531  -0.639   6.794
  198    HB   ILE  90           HB       ILE  90   1.032  -0.098   8.297
  199   1HG1  ILE  90          2HG1      ILE  90   0.177   1.888   7.089
  200   2HG1  ILE  90          3HG1      ILE  90   1.687   1.299   6.430
  201   1HG2  ILE  90          1HG2      ILE  90   2.026  -1.630   7.007
  202   2HG2  ILE  90          2HG2      ILE  90   0.392  -2.223   6.702
  203   3HG2  ILE  90          3HG2      ILE  90   1.152  -1.110   5.564
  204   1HD1  ILE  90          1HD1      ILE  90   0.763   1.161   4.430
  205   2HD1  ILE  90          2HD1      ILE  90  -0.453   0.044   5.048
  206   3HD1  ILE  90          3HD1      ILE  90  -0.748   1.782   5.095
  207    H    LEU  91           HN       LEU  91  -2.371  -2.470   7.282
  208    HA   LEU  91           HA       LEU  91  -2.223  -3.644   9.911
  209   1HB   LEU  91          2HB       LEU  91  -3.252  -4.896   7.369
  210   2HB   LEU  91          3HB       LEU  91  -3.690  -5.308   9.017
  211    HG   LEU  91           HG       LEU  91  -4.366  -2.735   7.589
  212   1HD1  LEU  91          1HD1      LEU  91  -5.804  -4.238   6.644
  213   2HD1  LEU  91          2HD1      LEU  91  -5.912  -5.227   8.101
  214   3HD1  LEU  91          3HD1      LEU  91  -6.740  -3.668   8.027
  215   1HD2  LEU  91          1HD2      LEU  91  -4.540  -1.897   9.649
  216   2HD2  LEU  91          2HD2      LEU  91  -5.971  -2.913   9.815
  217   3HD2  LEU  91          3HD2      LEU  91  -4.410  -3.487  10.400
  218    H    GLU  92           HN       GLU  92  -1.109  -4.366   6.654
  219    HA   GLU  92           HA       GLU  92   1.190  -5.763   7.748
  220   1HB   GLU  92          2HB       GLU  92  -1.007  -7.132   6.562
  221   2HB   GLU  92          3HB       GLU  92   0.366  -7.241   5.466
  222   1HG   GLU  92          2HG       GLU  92   1.201  -8.855   6.715
  223   2HG   GLU  92          3HG       GLU  92   1.380  -7.690   8.030
  224    H    GLN  93           HN       GLN  93   3.012  -5.388   6.622
  225    HA   GLN  93           HA       GLN  93   2.718  -3.940   4.092
  226   1HB   GLN  93          2HB       GLN  93   5.008  -2.930   4.892
  227   2HB   GLN  93          3HB       GLN  93   3.480  -2.253   5.428
  228   1HG   GLN  93          2HG       GLN  93   3.646  -3.728   7.420
  229   2HG   GLN  93          3HG       GLN  93   5.261  -4.122   6.879
  230   1HE2  GLN  93          1HE2      GLN  93   6.857  -2.467   6.828
  231   2HE2  GLN  93          2HE2      GLN  93   6.707  -1.069   7.831
  232    H    SER  94           HN       SER  94   3.011  -6.733   4.327
  233    HA   SER  94           HA       SER  94   5.777  -7.244   3.532
  234   1HB   SER  94          2HB       SER  94   4.291  -9.625   3.360
  235   2HB   SER  94          3HB       SER  94   5.420  -9.168   4.632
  236    HG   SER  94           HG       SER  94   3.221  -9.707   5.316
  237    H    GLY  95           HN       GLY  95   6.315  -7.256   1.457
  238   1HA   GLY  95          1HA       GLY  95   6.100  -7.889  -0.810
  239   2HA   GLY  95          2HA       GLY  95   4.391  -8.177  -0.537
  240    H    GLU  96           HN       GLU  96   5.481  -6.824  -2.719
  241    HA   GLU  96           HA       GLU  96   5.612  -4.090  -2.667
  242   1HB   GLU  96          2HB       GLU  96   6.043  -4.821  -4.759
  243   2HB   GLU  96          3HB       GLU  96   4.875  -6.131  -4.647
  244   1HG   GLU  96          2HG       GLU  96   3.091  -4.673  -5.086
  245   2HG   GLU  96          3HG       GLU  96   4.140  -3.259  -5.014
  246    H    TRP  97           HN       TRP  97   2.831  -6.048  -2.048
  247    HA   TRP  97           HA       TRP  97   1.124  -3.656  -2.167
  248   1HB   TRP  97          2HB       TRP  97   0.528  -6.574  -2.558
  249   2HB   TRP  97          3HB       TRP  97  -0.748  -5.441  -2.124
  250    HD1  TRP  97           1HD      TRP  97   1.602  -6.345  -5.001
  251    HE1  TRP  97           1HE      TRP  97   0.790  -5.162  -7.138
  252    HE3  TRP  97           3HE      TRP  97  -2.067  -3.429  -2.968
  253    HZ2  TRP  97           2HZ      TRP  97  -1.149  -3.238  -7.862
  254    HZ3  TRP  97           3HZ      TRP  97  -3.350  -1.945  -4.442
  255    HH2  TRP  97           2HH      TRP  97  -2.897  -1.847  -6.840
  256    H    TRP  98           HN       TRP  98   0.968  -2.756  -0.220
  257    HA   TRP  98           HA       TRP  98   1.123  -4.393   2.179
  258   1HB   TRP  98          2HB       TRP  98   1.086  -1.413   1.748
  259   2HB   TRP  98          3HB       TRP  98   1.053  -2.154   3.339
  260    HD1  TRP  98           1HD      TRP  98   3.225  -4.276   1.353
  261    HE1  TRP  98           1HE      TRP  98   5.705  -3.692   1.739
  262    HE3  TRP  98           3HE      TRP  98   2.618   0.223   3.634
  263    HZ2  TRP  98           2HZ      TRP  98   7.205  -1.562   2.860
  264    HZ3  TRP  98           3HZ      TRP  98   4.609   1.494   4.331
  265    HH2  TRP  98           2HH      TRP  98   6.859   0.613   3.955
  266    H    LYS  99           HN       LYS  99  -0.457  -4.705   3.632
  267    HA   LYS  99           HA       LYS  99  -3.179  -4.116   2.814
  268   1HB   LYS  99          2HB       LYS  99  -2.709  -6.348   3.679
  269   2HB   LYS  99          3HB       LYS  99  -2.050  -5.665   5.154
  270   1HG   LYS  99          2HG       LYS  99  -4.452  -6.632   5.150
  271   2HG   LYS  99          3HG       LYS  99  -4.120  -5.121   5.998
  272   1HD   LYS  99          2HD       LYS  99  -5.110  -3.831   4.367
  273   2HD   LYS  99          3HD       LYS  99  -5.030  -5.112   3.153
  274   1HE   LYS  99          2HE       LYS  99  -6.552  -6.010   5.409
  275   2HE   LYS  99          3HE       LYS  99  -7.176  -4.459   4.855
  276   1HZ   LYS  99          1HZ       LYS  99  -6.821  -5.801   2.546
  277   2HZ   LYS  99          2HZ       LYS  99  -8.288  -5.693   3.381
  278   3HZ   LYS  99          3HZ       LYS  99  -7.294  -7.044   3.592
  279    H    ALA 100           HN       ALA 100  -4.032  -2.193   3.374
  280    HA   ALA 100           HA       ALA 100  -3.211  -1.046   5.963
  281   1HB   ALA 100          1HB       ALA 100  -4.257   0.738   3.831
  282   2HB   ALA 100          2HB       ALA 100  -3.062   1.050   5.093
  283   3HB   ALA 100          3HB       ALA 100  -2.611   0.117   3.666
  284    H    GLN 101           HN       GLN 101  -4.738  -0.128   7.268
  285    HA   GLN 101           HA       GLN 101  -7.523  -0.636   6.472
  286   1HB   GLN 101          2HB       GLN 101  -6.995  -1.934   8.420
  287   2HB   GLN 101          3HB       GLN 101  -6.263  -0.558   9.222
  288   1HG   GLN 101          2HG       GLN 101  -8.547   0.495   9.055
  289   2HG   GLN 101          3HG       GLN 101  -9.158  -1.093   8.662
  290   1HE2  GLN 101          1HE2      GLN 101  -7.530   0.826  11.100
  291   2HE2  GLN 101          2HE2      GLN 101  -7.937  -0.180  12.443
  292    H    SER 102           HN       SER 102  -8.406   1.170   5.788
  293    HA   SER 102           HA       SER 102  -7.452   3.721   6.046
  294   1HB   SER 102          2HB       SER 102  -9.869   2.431   5.154
  295   2HB   SER 102          3HB       SER 102 -10.230   3.942   5.949
  296    HG   SER 102           HG       SER 102  -8.691   4.943   4.553
  297    H    LEU 103           HN       LEU 103  -8.567   5.558   7.224
  298    HA   LEU 103           HA       LEU 103  -9.259   4.690   9.953
  299   1HB   LEU 103          2HB       LEU 103  -7.376   6.838   9.064
  300   2HB   LEU 103          3HB       LEU 103  -8.073   6.820  10.669
  301    HG   LEU 103           HG       LEU 103  -7.154   4.263  10.469
  302   1HD1  LEU 103          1HD1      LEU 103  -6.080   4.460   8.413
  303   2HD1  LEU 103          2HD1      LEU 103  -5.388   6.029   8.824
  304   3HD1  LEU 103          3HD1      LEU 103  -4.790   4.569   9.613
  305   1HD2  LEU 103          1HD2      LEU 103  -5.264   6.381  11.385
  306   2HD2  LEU 103          2HD2      LEU 103  -6.791   6.134  12.233
  307   3HD2  LEU 103          3HD2      LEU 103  -5.632   4.807  12.100
  308    H    THR 104           HN       THR 104  -9.938   6.796   7.322
  309    HA   THR 104           HA       THR 104 -11.731   8.485   8.830
  310    HB   THR 104           HB       THR 104 -11.657   8.272   5.835
  311    HG1  THR 104           1HG      THR 104  -9.595   8.659   5.963
  312   1HG2  THR 104          1HG2      THR 104 -11.792  10.784   6.123
  313   2HG2  THR 104          2HG2      THR 104 -12.178  10.440   7.810
  314   3HG2  THR 104          3HG2      THR 104 -13.222   9.830   6.523
  315    H    THR 105           HN       THR 105 -11.803   5.849   6.573
  316    HA   THR 105           HA       THR 105 -14.696   5.448   6.928
  317    HB   THR 105           HB       THR 105 -14.745   4.631   4.801
  318    HG1  THR 105           1HG      THR 105 -12.808   3.744   3.787
  319   1HG2  THR 105          1HG2      THR 105 -13.941   6.891   4.517
  320   2HG2  THR 105          2HG2      THR 105 -13.262   5.836   3.277
  321   3HG2  THR 105          3HG2      THR 105 -12.277   6.322   4.659
  322    H    GLY 106           HN       GLY 106 -11.558   4.064   6.990
  323   1HA   GLY 106          1HA       GLY 106 -10.645   2.410   8.211
  324   2HA   GLY 106          2HA       GLY 106 -12.217   2.022   8.852
  325    H    GLN 107           HN       GLN 107 -12.544   2.128   5.566
  326    HA   GLN 107           HA       GLN 107 -13.033  -0.529   5.204
  327   1HB   GLN 107          2HB       GLN 107 -12.391   1.734   3.433
  328   2HB   GLN 107          3HB       GLN 107 -12.425   0.125   2.734
  329   1HG   GLN 107          2HG       GLN 107 -14.607   0.459   2.510
  330   2HG   GLN 107          3HG       GLN 107 -14.670   0.149   4.244
  331   1HE2  GLN 107          1HE2      GLN 107 -14.329   2.724   1.853
  332   2HE2  GLN 107          2HE2      GLN 107 -15.089   3.951   2.802
  333    H    GLU 108           HN       GLU 108 -11.834  -2.255   5.178
  334    HA   GLU 108           HA       GLU 108  -8.942  -1.995   5.120
  335   1HB   GLU 108          2HB       GLU 108 -10.656  -4.431   5.573
  336   2HB   GLU 108          3HB       GLU 108  -8.923  -4.348   5.784
  337   1HG   GLU 108          2HG       GLU 108  -9.132  -3.560   7.824
  338   2HG   GLU 108          3HG       GLU 108 -10.219  -2.281   7.294
  339    H    GLY 109           HN       GLY 109  -7.570  -2.942   3.662
  340   1HA   GLY 109          1HA       GLY 109  -8.213  -4.751   1.651
  341   2HA   GLY 109          2HA       GLY 109  -8.485  -3.149   0.987
  342    H    PHE 110           HN       PHE 110  -6.685  -4.444  -0.345
  343    HA   PHE 110           HA       PHE 110  -4.035  -4.097   0.746
  344   1HB   PHE 110          2HB       PHE 110  -5.257  -5.409  -1.607
  345   2HB   PHE 110          3HB       PHE 110  -3.631  -4.795  -1.826
  346    HD1  PHE 110           1HD      PHE 110  -2.277  -6.679  -1.886
  347    HD2  PHE 110           2HD      PHE 110  -5.203  -6.302   1.184
  348    HE1  PHE 110           1HE      PHE 110  -1.377  -8.688  -0.787
  349    HE2  PHE 110           2HE      PHE 110  -4.307  -8.310   2.288
  350    HZ   PHE 110           HZ       PHE 110  -2.392  -9.506   1.303
  351    H    ILE 111           HN       ILE 111  -2.422  -2.752  -0.226
  352    HA   ILE 111           HA       ILE 111  -3.342  -0.738  -2.125
  353    HB   ILE 111           HB       ILE 111  -2.619   1.141  -0.755
  354   1HG1  ILE 111          2HG1      ILE 111  -2.430  -0.576   1.679
  355   2HG1  ILE 111          3HG1      ILE 111  -1.059  -0.531   0.581
  356   1HG2  ILE 111          1HG2      ILE 111  -4.513   1.296   0.569
  357   2HG2  ILE 111          2HG2      ILE 111  -4.971   0.091  -0.634
  358   3HG2  ILE 111          3HG2      ILE 111  -4.489  -0.419   0.985
  359   1HD1  ILE 111          1HD1      ILE 111  -0.460   1.143   1.964
  360   2HD1  ILE 111          2HD1      ILE 111  -1.430   2.075   0.823
  361   3HD1  ILE 111          3HD1      ILE 111  -2.127   1.565   2.361
  362    HA   PRO 112           HA       PRO 112   0.661  -1.096  -3.876
  363   1HB   PRO 112          2HB       PRO 112   0.940   1.633  -4.512
  364   2HB   PRO 112          3HB       PRO 112   0.267   0.379  -5.553
  365   1HG   PRO 112          2HG       PRO 112  -1.127   2.384  -3.884
  366   2HG   PRO 112          3HG       PRO 112  -1.635   1.625  -5.391
  367   1HD   PRO 112          2HD       PRO 112  -2.676   0.959  -2.996
  368   2HD   PRO 112          3HD       PRO 112  -2.517  -0.194  -4.329
  369    H    PHE 113           HN       PHE 113   2.202  -1.481  -2.347
  370    HA   PHE 113           HA       PHE 113   2.723  -0.042  -0.066
  371   1HB   PHE 113          2HB       PHE 113   4.606  -1.353   0.221
  372   2HB   PHE 113          3HB       PHE 113   3.665  -2.328  -0.899
  373    HD1  PHE 113           1HD      PHE 113   6.826  -1.742  -0.196
  374    HD2  PHE 113           2HD      PHE 113   4.190  -1.121  -3.478
  375    HE1  PHE 113           1HE      PHE 113   8.742  -1.783  -1.738
  376    HE2  PHE 113           2HE      PHE 113   6.101  -1.160  -5.026
  377    HZ   PHE 113           HZ       PHE 113   8.382  -1.492  -4.157
  378    H    ASN 114           HN       ASN 114   3.632   0.768  -3.310
  379    HA   ASN 114           HA       ASN 114   5.480   2.829  -2.361
  380   1HB   ASN 114          2HB       ASN 114   5.909   3.128  -4.848
  381   2HB   ASN 114          3HB       ASN 114   6.405   1.587  -4.158
  382   1HD2  ASN 114          1HD2      ASN 114   6.327   0.599  -6.179
  383   2HD2  ASN 114          2HD2      ASN 114   4.829   0.193  -6.940
  384    H    PHE 115           HN       PHE 115   2.587   3.025  -1.953
  385    HA   PHE 115           HA       PHE 115   2.026   5.406  -3.602
  386   1HB   PHE 115          2HB       PHE 115   0.480   3.086  -3.239
  387   2HB   PHE 115          3HB       PHE 115  -0.322   4.339  -2.309
  388    HD1  PHE 115           1HD      PHE 115  -2.196   4.862  -3.525
  389    HD2  PHE 115           2HD      PHE 115   1.561   4.633  -5.500
  390    HE1  PHE 115           1HE      PHE 115  -3.225   5.744  -5.564
  391    HE2  PHE 115           2HE      PHE 115   0.538   5.519  -7.554
  392    HZ   PHE 115           HZ       PHE 115  -1.862   6.078  -7.591
  393    H    VAL 116           HN       VAL 116   2.266   4.124  -0.379
  394    HA   VAL 116           HA       VAL 116   1.296   6.693   0.682
  395    HB   VAL 116           HB       VAL 116   0.912   5.462   2.816
  396   1HG1  VAL 116          1HG1      VAL 116  -1.215   4.998   2.219
  397   2HG1  VAL 116          2HG1      VAL 116  -0.714   5.815   0.738
  398   3HG1  VAL 116          3HG1      VAL 116  -0.732   4.052   0.811
  399   1HG2  VAL 116          1HG2      VAL 116   0.668   2.957   2.574
  400   2HG2  VAL 116          2HG2      VAL 116   1.598   3.097   1.085
  401   3HG2  VAL 116          3HG2      VAL 116   2.324   3.561   2.625
  402    H    ALA 117           HN       ALA 117   2.316   7.678   2.385
  403    HA   ALA 117           HA       ALA 117   4.975   6.714   3.152
  404   1HB   ALA 117          1HB       ALA 117   4.399   9.054   1.546
  405   2HB   ALA 117          2HB       ALA 117   5.236   9.486   3.036
  406   3HB   ALA 117          3HB       ALA 117   5.951   8.312   1.931
  407    H    LYS 118           HN       LYS 118   5.531   7.200   5.274
  408    HA   LYS 118           HA       LYS 118   3.698   7.309   7.233
  409   1HB   LYS 118          2HB       LYS 118   6.412   8.636   7.277
  410   2HB   LYS 118          3HB       LYS 118   5.440   8.321   8.706
  411   1HG   LYS 118          2HG       LYS 118   6.729   6.331   6.866
  412   2HG   LYS 118          3HG       LYS 118   7.023   6.585   8.588
  413   1HD   LYS 118          2HD       LYS 118   4.738   5.827   9.072
  414   2HD   LYS 118          3HD       LYS 118   4.479   5.540   7.353
  415   1HE   LYS 118          2HE       LYS 118   5.711   3.642   7.346
  416   2HE   LYS 118          3HE       LYS 118   6.860   4.259   8.532
  417   1HZ   LYS 118          1HZ       LYS 118   4.804   4.005  10.109
  418   2HZ   LYS 118          2HZ       LYS 118   5.795   2.679   9.758
  419   3HZ   LYS 118          3HZ       LYS 118   4.318   2.865   8.956
  420    H    ALA 119           HN       ALA 119   2.484   8.749   8.351
  421    HA   ALA 119           HA       ALA 119   1.806  11.212   7.093
  422   1HB   ALA 119          1HB       ALA 119   0.925   9.797   9.564
  423   2HB   ALA 119          2HB       ALA 119   0.578  11.518   9.420
  424   3HB   ALA 119          3HB       ALA 119  -0.026  10.399   8.200
  425    H    ASN 120           HN       ASN 120   4.392  11.580   7.366
  426    HA   ASN 120           HA       ASN 120   4.796  13.217   9.773
  427   1HB   ASN 120          2HB       ASN 120   6.590  11.585   8.074
  428   2HB   ASN 120          3HB       ASN 120   7.261  13.102   8.666
  429   1HD2  ASN 120          1HD2      ASN 120   5.635  10.148   9.702
  430   2HD2  ASN 120          2HD2      ASN 120   6.361  10.085  11.267
  Start of MODEL    2
    1    H    ASN  64           HN       ASN  64   1.326   2.923  12.865
    2    HA   ASN  64           HA       ASN  64   3.467   2.168  11.145
    3   1HB   ASN  64          2HB       ASN  64   1.369   0.128  11.808
    4   2HB   ASN  64          3HB       ASN  64   2.030   0.192  10.181
    5   1HD2  ASN  64          1HD2      ASN  64   2.271  -1.981  11.951
    6   2HD2  ASN  64          2HD2      ASN  64   3.949  -2.198  12.300
    7    H    LEU  65           HN       LEU  65   1.327   4.204  11.597
    8    HA   LEU  65           HA       LEU  65  -0.426   3.864   9.345
    9   1HB   LEU  65          2HB       LEU  65  -1.419   4.938  11.156
   10   2HB   LEU  65          3HB       LEU  65  -0.092   6.051  11.364
   11    HG   LEU  65           HG       LEU  65  -0.711   7.133   9.268
   12   1HD1  LEU  65          1HD1      LEU  65  -3.323   6.190   8.865
   13   2HD1  LEU  65          2HD1      LEU  65  -1.937   6.053   7.781
   14   3HD1  LEU  65          3HD1      LEU  65  -2.270   4.778   8.954
   15   1HD2  LEU  65          1HD2      LEU  65  -2.800   8.173  10.048
   16   2HD2  LEU  65          2HD2      LEU  65  -2.968   6.892  11.248
   17   3HD2  LEU  65          3HD2      LEU  65  -1.612   8.017  11.343
   18    H    VAL  66           HN       VAL  66  -0.451   4.920   7.521
   19    HA   VAL  66           HA       VAL  66   1.876   6.583   6.820
   20    HB   VAL  66           HB       VAL  66   1.492   5.623   4.500
   21   1HG1  VAL  66          1HG1      VAL  66   2.846   3.572   5.058
   22   2HG1  VAL  66          2HG1      VAL  66   3.490   5.102   5.656
   23   3HG1  VAL  66          3HG1      VAL  66   2.641   4.013   6.754
   24   1HG2  VAL  66          1HG2      VAL  66   0.589   3.308   4.484
   25   2HG2  VAL  66          2HG2      VAL  66   0.035   3.567   6.136
   26   3HG2  VAL  66          3HG2      VAL  66  -0.621   4.544   4.822
   27    H    ILE  67           HN       ILE  67   1.350   7.494   4.464
   28    HA   ILE  67           HA       ILE  67  -1.378   8.416   4.259
   29    HB   ILE  67           HB       ILE  67   0.713  10.096   5.345
   30   1HG1  ILE  67          2HG1      ILE  67  -2.237  10.321   4.845
   31   2HG1  ILE  67          3HG1      ILE  67  -1.436   9.905   6.331
   32   1HG2  ILE  67          1HG2      ILE  67   0.205  12.113   3.995
   33   2HG2  ILE  67          2HG2      ILE  67   1.087  10.883   3.089
   34   3HG2  ILE  67          3HG2      ILE  67  -0.647  11.091   2.840
   35   1HD1  ILE  67          1HD1      ILE  67  -2.311  12.427   5.461
   36   2HD1  ILE  67          2HD1      ILE  67  -1.460  12.023   6.954
   37   3HD1  ILE  67          3HD1      ILE  67  -0.547  12.476   5.514
   38    H    ALA  68           HN       ALA  68  -2.008   8.430   2.248
   39    HA   ALA  68           HA       ALA  68  -0.315   7.628   0.144
   40   1HB   ALA  68          1HB       ALA  68  -2.795   8.940  -0.681
   41   2HB   ALA  68          2HB       ALA  68  -2.208   7.310  -1.003
   42   3HB   ALA  68          3HB       ALA  68  -3.007   7.672   0.526
   43    H    LEU  69           HN       LEU  69   0.293   8.696  -1.753
   44    HA   LEU  69           HA       LEU  69   0.499  11.629  -1.511
   45   1HB   LEU  69          2HB       LEU  69   2.477   9.629  -2.593
   46   2HB   LEU  69          3HB       LEU  69   2.628  11.359  -2.840
   47    HG   LEU  69           HG       LEU  69   2.633   9.978  -0.151
   48   1HD1  LEU  69          1HD1      LEU  69   4.717   9.450  -1.000
   49   2HD1  LEU  69          2HD1      LEU  69   4.814  10.922  -1.970
   50   3HD1  LEU  69          3HD1      LEU  69   5.035  10.999  -0.223
   51   1HD2  LEU  69          1HD2      LEU  69   3.352  12.219   0.657
   52   2HD2  LEU  69          2HD2      LEU  69   2.993  12.865  -0.943
   53   3HD2  LEU  69          3HD2      LEU  69   1.700  12.180   0.042
   54    H    HIS  70           HN       HIS  70  -1.312   9.567  -3.015
   55    HA   HIS  70           HA       HIS  70  -1.732  11.177  -5.320
   56   1HB   HIS  70          2HB       HIS  70  -1.311   8.702  -6.596
   57   2HB   HIS  70          3HB       HIS  70  -0.378  10.176  -6.802
   58    HD1  HIS  70           1HD      HIS  70   1.903   9.135  -7.045
   59    HD2  HIS  70           2HD      HIS  70  -0.068   7.874  -3.616
   60    HE1  HIS  70           1HE      HIS  70   3.621   7.882  -5.709
   61    HE2  HIS  70           2HE      HIS  70   2.450   7.297  -3.559
   62    H    SER  71           HN       SER  71  -3.751  10.832  -6.189
   63    HA   SER  71           HA       SER  71  -5.665   9.478  -4.675
   64   1HB   SER  71          2HB       SER  71  -6.231   9.809  -7.569
   65   2HB   SER  71          3HB       SER  71  -7.192  10.285  -6.171
   66    HG   SER  71           HG       SER  71  -6.407  12.130  -7.163
   67    H    TYR  72           HN       TYR  72  -6.145   7.389  -4.492
   68    HA   TYR  72           HA       TYR  72  -5.030   5.550  -6.493
   69   1HB   TYR  72          2HB       TYR  72  -4.397   5.253  -4.081
   70   2HB   TYR  72          3HB       TYR  72  -6.070   4.834  -3.757
   71    HD1  TYR  72           1HD      TYR  72  -3.805   3.879  -6.570
   72    HD2  TYR  72           2HD      TYR  72  -6.144   2.575  -3.267
   73    HE1  TYR  72           1HE      TYR  72  -3.359   1.544  -7.183
   74    HE2  TYR  72           2HE      TYR  72  -5.693   0.236  -3.864
   75    HH   TYR  72           HH       TYR  72  -5.084  -1.048  -5.906
   76    H    GLU  73           HN       GLU  73  -6.183   3.924  -7.425
   77    HA   GLU  73           HA       GLU  73  -9.062   3.813  -6.987
   78   1HB   GLU  73          2HB       GLU  73  -7.773   4.906  -9.255
   79   2HB   GLU  73          3HB       GLU  73  -8.577   3.431  -9.744
   80   1HG   GLU  73          2HG       GLU  73 -10.679   4.240  -9.025
   81   2HG   GLU  73          3HG       GLU  73  -9.929   5.592  -8.177
   82    HA   PRO  74           HA       PRO  74  -7.397  -0.390  -6.303
   83   1HB   PRO  74          2HB       PRO  74 -10.185  -1.131  -6.214
   84   2HB   PRO  74          3HB       PRO  74  -9.017  -1.061  -4.894
   85   1HG   PRO  74          2HG       PRO  74 -11.027   0.923  -5.717
   86   2HG   PRO  74          3HG       PRO  74 -10.221   0.716  -4.153
   87   1HD   PRO  74          2HD       PRO  74  -9.649   2.787  -5.799
   88   2HD   PRO  74          3HD       PRO  74  -8.411   2.018  -4.779
   89    H    SER  75           HN       SER  75  -6.728  -1.563  -7.949
   90    HA   SER  75           HA       SER  75  -8.565  -2.041 -10.202
   91   1HB   SER  75          2HB       SER  75  -6.586  -0.640 -10.796
   92   2HB   SER  75          3HB       SER  75  -5.539  -1.976 -10.316
   93    HG   SER  75           HG       SER  75  -7.552  -2.169 -12.306
   94    H    HIS  76           HN       HIS  76  -6.109  -3.390  -8.072
   95    HA   HIS  76           HA       HIS  76  -6.342  -6.043  -9.182
   96   1HB   HIS  76          2HB       HIS  76  -4.730  -4.747  -7.041
   97   2HB   HIS  76          3HB       HIS  76  -5.014  -6.479  -6.894
   98    HD1  HIS  76           1HD      HIS  76  -4.230  -4.432 -10.003
   99    HD2  HIS  76           2HD      HIS  76  -2.699  -7.581  -7.767
  100    HE1  HIS  76           1HE      HIS  76  -2.231  -5.256 -11.285
  101    HE2  HIS  76           2HE      HIS  76  -1.369  -7.214  -9.956
  102    H    ASP  77           HN       ASP  77  -6.700  -7.883  -7.513
  103    HA   ASP  77           HA       ASP  77  -9.358  -7.523  -6.461
  104   1HB   ASP  77          2HB       ASP  77  -8.225  -9.632  -7.607
  105   2HB   ASP  77          3HB       ASP  77  -7.788 -10.008  -5.943
  106    H    GLY  78           HN       GLY  78 -10.011  -7.588  -4.331
  107   1HA   GLY  78          1HA       GLY  78  -9.853  -7.275  -2.059
  108   2HA   GLY  78          2HA       GLY  78  -8.402  -8.261  -2.135
  109    H    ASP  79           HN       ASP  79  -8.926  -5.151  -3.731
  110    HA   ASP  79           HA       ASP  79  -6.646  -4.102  -2.210
  111   1HB   ASP  79          2HB       ASP  79  -7.834  -3.257  -4.853
  112   2HB   ASP  79          3HB       ASP  79  -6.552  -2.373  -4.031
  113    H    LEU  80           HN       LEU  80  -6.685  -1.920  -1.473
  114    HA   LEU  80           HA       LEU  80  -9.391  -0.991  -0.788
  115   1HB   LEU  80          2HB       LEU  80  -8.505  -1.377   1.275
  116   2HB   LEU  80          3HB       LEU  80  -6.856  -1.179   0.728
  117    HG   LEU  80           HG       LEU  80  -7.507   1.358   0.611
  118   1HD1  LEU  80          1HD1      LEU  80  -9.050   1.639   2.760
  119   2HD1  LEU  80          2HD1      LEU  80  -9.709   1.567   1.125
  120   3HD1  LEU  80          3HD1      LEU  80  -9.722   0.129   2.144
  121   1HD2  LEU  80          1HD2      LEU  80  -6.525  -0.372   2.744
  122   2HD2  LEU  80          2HD2      LEU  80  -5.869   1.138   2.115
  123   3HD2  LEU  80          3HD2      LEU  80  -7.160   1.171   3.317
  124    H    GLY  81           HN       GLY  81 -10.014   0.951  -1.516
  125   1HA   GLY  81          1HA       GLY  81  -8.063   2.525  -3.014
  126   2HA   GLY  81          2HA       GLY  81  -9.804   2.717  -3.077
  127    H    PHE  82           HN       PHE  82  -7.579   4.639  -2.635
  128    HA   PHE  82           HA       PHE  82  -8.788   5.999  -0.371
  129   1HB   PHE  82          2HB       PHE  82  -6.352   6.595   0.369
  130   2HB   PHE  82          3HB       PHE  82  -7.084   5.087   0.891
  131    HD1  PHE  82           1HD      PHE  82  -6.611   3.022  -0.657
  132    HD2  PHE  82           2HD      PHE  82  -4.248   6.558  -0.568
  133    HE1  PHE  82           1HE      PHE  82  -4.717   1.780  -1.613
  134    HE2  PHE  82           2HE      PHE  82  -2.343   5.313  -1.523
  135    HZ   PHE  82           HZ       PHE  82  -2.583   2.922  -2.042
  136    H    GLU  83           HN       GLU  83  -7.607   8.224  -0.119
  137    HA   GLU  83           HA       GLU  83  -7.410   9.332  -2.836
  138   1HB   GLU  83          2HB       GLU  83  -8.734  10.175  -0.391
  139   2HB   GLU  83          3HB       GLU  83  -7.715  11.443  -1.048
  140   1HG   GLU  83          2HG       GLU  83  -9.046  10.470  -3.256
  141   2HG   GLU  83          3HG       GLU  83 -10.260  10.424  -1.980
  142    H    LYS  84           HN       LYS  84  -6.072  11.463  -2.831
  143    HA   LYS  84           HA       LYS  84  -3.408  10.759  -2.062
  144   1HB   LYS  84          2HB       LYS  84  -3.587  11.962  -4.080
  145   2HB   LYS  84          3HB       LYS  84  -4.635  13.173  -3.363
  146   1HG   LYS  84          2HG       LYS  84  -2.638  13.807  -1.916
  147   2HG   LYS  84          3HG       LYS  84  -1.677  12.814  -3.010
  148   1HD   LYS  84          2HD       LYS  84  -1.974  14.240  -4.783
  149   2HD   LYS  84          3HD       LYS  84  -3.488  14.888  -4.152
  150   1HE   LYS  84          2HE       LYS  84  -1.681  15.630  -2.232
  151   2HE   LYS  84          3HE       LYS  84  -0.732  15.765  -3.712
  152   1HZ   LYS  84          1HZ       LYS  84  -1.984  17.468  -4.469
  153   2HZ   LYS  84          2HZ       LYS  84  -2.271  17.713  -2.820
  154   3HZ   LYS  84          3HZ       LYS  84  -3.414  16.901  -3.766
  155    H    GLY  85           HN       GLY  85  -2.358  11.263  -0.248
  156   1HA   GLY  85          1HA       GLY  85  -1.808  12.441   1.700
  157   2HA   GLY  85          2HA       GLY  85  -3.169  13.523   1.396
  158    H    GLU  86           HN       GLU  86  -4.627  10.731   0.978
  159    HA   GLU  86           HA       GLU  86  -6.029  10.691   3.379
  160   1HB   GLU  86          2HB       GLU  86  -6.296   9.467   0.968
  161   2HB   GLU  86          3HB       GLU  86  -5.727   8.123   1.940
  162   1HG   GLU  86          2HG       GLU  86  -8.331   9.053   1.659
  163   2HG   GLU  86          3HG       GLU  86  -7.746   7.796   2.725
  164    H    GLN  87           HN       GLN  87  -6.094   8.807   4.899
  165    HA   GLN  87           HA       GLN  87  -3.368   7.832   5.419
  166   1HB   GLN  87          2HB       GLN  87  -5.337   8.405   7.613
  167   2HB   GLN  87          3HB       GLN  87  -3.607   8.141   7.738
  168   1HG   GLN  87          2HG       GLN  87  -3.096  10.263   7.243
  169   2HG   GLN  87          3HG       GLN  87  -4.404  10.416   6.074
  170   1HE2  GLN  87          1HE2      GLN  87  -3.493  10.694   9.413
  171   2HE2  GLN  87          2HE2      GLN  87  -4.898  11.552   9.939
  172    H    LEU  88           HN       LEU  88  -3.123   5.832   6.237
  173    HA   LEU  88           HA       LEU  88  -5.439   4.110   6.635
  174   1HB   LEU  88          2HB       LEU  88  -3.328   2.972   4.900
  175   2HB   LEU  88          3HB       LEU  88  -5.042   2.621   4.956
  176    HG   LEU  88           HG       LEU  88  -4.441   5.298   3.936
  177   1HD1  LEU  88          1HD1      LEU  88  -3.836   3.182   1.976
  178   2HD1  LEU  88          2HD1      LEU  88  -3.197   4.820   2.119
  179   3HD1  LEU  88          3HD1      LEU  88  -2.581   3.539   3.165
  180   1HD2  LEU  88          1HD2      LEU  88  -6.111   4.708   2.339
  181   2HD2  LEU  88          2HD2      LEU  88  -5.963   2.994   2.744
  182   3HD2  LEU  88          3HD2      LEU  88  -6.647   4.126   3.917
  183    H    ARG  89           HN       ARG  89  -5.092   2.797   8.271
  184    HA   ARG  89           HA       ARG  89  -2.509   2.729   9.512
  185   1HB   ARG  89          2HB       ARG  89  -4.342   2.886  10.998
  186   2HB   ARG  89          3HB       ARG  89  -5.207   1.583  10.196
  187   1HG   ARG  89          2HG       ARG  89  -3.621  -0.018  11.001
  188   2HG   ARG  89          3HG       ARG  89  -2.643   1.262  11.701
  189   1HD   ARG  89          2HD       ARG  89  -4.760   1.882  13.000
  190   2HD   ARG  89          3HD       ARG  89  -5.334   0.282  12.562
  191    HE   ARG  89           HE       ARG  89  -2.718   0.377  13.797
  192   1HH1  ARG  89          2HH1      ARG  89  -6.154  -0.007  14.289
  193   2HH1  ARG  89          1HH1      ARG  89  -5.971  -0.829  15.802
  194   1HH2  ARG  89          2HH2      ARG  89  -2.479  -0.702  15.788
  195   2HH2  ARG  89          1HH2      ARG  89  -3.887  -1.223  16.653
  196    H    ILE  90           HN       ILE  90  -1.074   1.539   8.482
  197    HA   ILE  90           HA       ILE  90  -1.553  -0.639   6.833
  198    HB   ILE  90           HB       ILE  90   1.004  -0.143   8.362
  199   1HG1  ILE  90          2HG1      ILE  90   0.218   1.873   7.177
  200   2HG1  ILE  90          3HG1      ILE  90   1.698   1.242   6.487
  201   1HG2  ILE  90          1HG2      ILE  90   1.992  -1.666   7.054
  202   2HG2  ILE  90          2HG2      ILE  90   0.354  -2.249   6.756
  203   3HG2  ILE  90          3HG2      ILE  90   1.114  -1.136   5.617
  204   1HD1  ILE  90          1HD1      ILE  90  -0.792   1.771   5.223
  205   2HD1  ILE  90          2HD1      ILE  90   0.726   1.228   4.505
  206   3HD1  ILE  90          3HD1      ILE  90  -0.441   0.047   5.097
  207    H    LEU  91           HN       LEU  91  -2.418  -2.464   7.307
  208    HA   LEU  91           HA       LEU  91  -2.310  -3.646   9.935
  209   1HB   LEU  91          2HB       LEU  91  -3.324  -4.884   7.379
  210   2HB   LEU  91          3HB       LEU  91  -3.780  -5.296   9.021
  211    HG   LEU  91           HG       LEU  91  -4.419  -2.705   7.610
  212   1HD1  LEU  91          1HD1      LEU  91  -6.801  -3.591   7.927
  213   2HD1  LEU  91          2HD1      LEU  91  -5.818  -4.241   6.614
  214   3HD1  LEU  91          3HD1      LEU  91  -6.029  -5.171   8.097
  215   1HD2  LEU  91          1HD2      LEU  91  -4.449  -3.441  10.399
  216   2HD2  LEU  91          2HD2      LEU  91  -4.718  -1.869   9.646
  217   3HD2  LEU  91          3HD2      LEU  91  -6.061  -2.996   9.838
  218    H    GLU  92           HN       GLU  92  -1.159  -4.340   6.692
  219    HA   GLU  92           HA       GLU  92   1.121  -5.762   7.789
  220   1HB   GLU  92          2HB       GLU  92  -1.074  -7.111   6.573
  221   2HB   GLU  92          3HB       GLU  92   0.311  -7.221   5.493
  222   1HG   GLU  92          2HG       GLU  92   1.122  -8.848   6.741
  223   2HG   GLU  92          3HG       GLU  92   1.291  -7.691   8.064
  224    H    GLN  93           HN       GLN  93   2.952  -5.382   6.671
  225    HA   GLN  93           HA       GLN  93   2.671  -3.912   4.153
  226   1HB   GLN  93          2HB       GLN  93   4.937  -2.888   4.952
  227   2HB   GLN  93          3HB       GLN  93   3.412  -2.245   5.536
  228   1HG   GLN  93          2HG       GLN  93   3.644  -3.777   7.485
  229   2HG   GLN  93          3HG       GLN  93   5.256  -4.114   6.902
  230   1HE2  GLN  93          1HE2      GLN  93   6.864  -2.572   7.090
  231   2HE2  GLN  93          2HE2      GLN  93   6.678  -1.147   8.050
  232    H    SER  94           HN       SER  94   2.965  -6.710   4.379
  233    HA   SER  94           HA       SER  94   5.733  -7.212   3.586
  234   1HB   SER  94          2HB       SER  94   4.248  -9.597   3.409
  235   2HB   SER  94          3HB       SER  94   5.382  -9.142   4.678
  236    HG   SER  94           HG       SER  94   2.585  -8.671   4.614
  237    H    GLY  95           HN       GLY  95   6.277  -7.238   1.510
  238   1HA   GLY  95          1HA       GLY  95   6.057  -7.878  -0.756
  239   2HA   GLY  95          2HA       GLY  95   4.344  -8.143  -0.484
  240    H    GLU  96           HN       GLU  96   5.451  -6.810  -2.668
  241    HA   GLU  96           HA       GLU  96   5.610  -4.073  -2.612
  242   1HB   GLU  96          2HB       GLU  96   6.061  -4.813  -4.698
  243   2HB   GLU  96          3HB       GLU  96   4.878  -6.110  -4.600
  244   1HG   GLU  96          2HG       GLU  96   3.114  -4.634  -5.060
  245   2HG   GLU  96          3HG       GLU  96   4.175  -3.231  -4.974
  246    H    TRP  97           HN       TRP  97   2.817  -6.012  -2.008
  247    HA   TRP  97           HA       TRP  97   1.123  -3.612  -2.148
  248   1HB   TRP  97          2HB       TRP  97   0.512  -6.528  -2.544
  249   2HB   TRP  97          3HB       TRP  97  -0.759  -5.383  -2.130
  250    HD1  TRP  97           1HD      TRP  97   1.618  -6.315  -4.975
  251    HE1  TRP  97           1HE      TRP  97   0.843  -5.131  -7.125
  252    HE3  TRP  97           3HE      TRP  97  -2.050  -3.361  -2.998
  253    HZ2  TRP  97           2HZ      TRP  97  -1.069  -3.194  -7.880
  254    HZ3  TRP  97           3HZ      TRP  97  -3.302  -1.871  -4.490
  255    HH2  TRP  97           2HH      TRP  97  -2.817  -1.784  -6.884
  256    H    TRP  98           HN       TRP  98   1.018  -2.719  -0.186
  257    HA   TRP  98           HA       TRP  98   1.122  -4.368   2.200
  258   1HB   TRP  98          2HB       TRP  98   1.094  -1.385   1.794
  259   2HB   TRP  98          3HB       TRP  98   1.051  -2.142   3.377
  260    HD1  TRP  98           1HD      TRP  98   3.227  -4.267   1.414
  261    HE1  TRP  98           1HE      TRP  98   5.706  -3.686   1.804
  262    HE3  TRP  98           3HE      TRP  98   2.622   0.247   3.661
  263    HZ2  TRP  98           2HZ      TRP  98   7.208  -1.553   2.917
  264    HZ3  TRP  98           3HZ      TRP  98   4.613   1.519   4.358
  265    HH2  TRP  98           2HH      TRP  98   6.863   0.630   3.997
  266    H    LYS  99           HN       LYS  99  -0.455  -4.655   3.660
  267    HA   LYS  99           HA       LYS  99  -3.177  -4.072   2.833
  268   1HB   LYS  99          2HB       LYS  99  -2.705  -6.308   3.682
  269   2HB   LYS  99          3HB       LYS  99  -2.045  -5.634   5.162
  270   1HG   LYS  99          2HG       LYS  99  -4.430  -6.604   5.181
  271   2HG   LYS  99          3HG       LYS  99  -4.118  -5.070   5.998
  272   1HD   LYS  99          2HD       LYS  99  -5.126  -3.830   4.344
  273   2HD   LYS  99          3HD       LYS  99  -5.017  -5.128   3.151
  274   1HE   LYS  99          2HE       LYS  99  -6.537  -6.045   5.387
  275   2HE   LYS  99          3HE       LYS  99  -7.176  -4.491   4.862
  276   1HZ   LYS  99          1HZ       LYS  99  -6.796  -5.817   2.533
  277   2HZ   LYS  99          2HZ       LYS  99  -8.272  -5.683   3.349
  278   3HZ   LYS  99          3HZ       LYS  99  -7.305  -7.053   3.571
  279    H    ALA 100           HN       ALA 100  -4.062  -2.172   3.423
  280    HA   ALA 100           HA       ALA 100  -3.230  -1.030   6.011
  281   1HB   ALA 100          1HB       ALA 100  -2.651   0.131   3.689
  282   2HB   ALA 100          2HB       ALA 100  -4.274   0.791   3.921
  283   3HB   ALA 100          3HB       ALA 100  -3.030   1.053   5.147
  284    H    GLN 101           HN       GLN 101  -4.754  -0.126   7.324
  285    HA   GLN 101           HA       GLN 101  -7.543  -0.621   6.527
  286   1HB   GLN 101          2HB       GLN 101  -7.028  -1.903   8.487
  287   2HB   GLN 101          3HB       GLN 101  -6.272  -0.532   9.272
  288   1HG   GLN 101          2HG       GLN 101  -8.547   0.551   9.105
  289   2HG   GLN 101          3HG       GLN 101  -9.177  -1.037   8.744
  290   1HE2  GLN 101          1HE2      GLN 101  -7.689   0.992  11.145
  291   2HE2  GLN 101          2HE2      GLN 101  -8.025  -0.017  12.505
  292    H    SER 102           HN       SER 102  -8.428   1.186   5.833
  293    HA   SER 102           HA       SER 102  -7.461   3.737   6.088
  294   1HB   SER 102          2HB       SER 102  -9.884   2.456   5.185
  295   2HB   SER 102          3HB       SER 102 -10.233   3.976   5.969
  296    HG   SER 102           HG       SER 102  -8.785   3.480   3.649
  297    H    LEU 103           HN       LEU 103  -8.576   5.578   7.256
  298    HA   LEU 103           HA       LEU 103  -9.288   4.716   9.981
  299   1HB   LEU 103          2HB       LEU 103  -7.395   6.857   9.098
  300   2HB   LEU 103          3HB       LEU 103  -8.098   6.843  10.701
  301    HG   LEU 103           HG       LEU 103  -7.192   4.288  10.528
  302   1HD1  LEU 103          1HD1      LEU 103  -5.430   6.011   8.833
  303   2HD1  LEU 103          2HD1      LEU 103  -4.834   4.560   9.640
  304   3HD1  LEU 103          3HD1      LEU 103  -6.138   4.441   8.457
  305   1HD2  LEU 103          1HD2      LEU 103  -5.644   4.847  12.132
  306   2HD2  LEU 103          2HD2      LEU 103  -5.271   6.405  11.386
  307   3HD2  LEU 103          3HD2      LEU 103  -6.789   6.186  12.257
  308    H    THR 104           HN       THR 104  -9.942   6.830   7.346
  309    HA   THR 104           HA       THR 104 -11.749   8.513   8.848
  310    HB   THR 104           HB       THR 104 -11.656   8.332   5.854
  311    HG1  THR 104           1HG      THR 104  -9.721   9.547   7.529
  312   1HG2  THR 104          1HG2      THR 104 -12.160  10.483   7.850
  313   2HG2  THR 104          2HG2      THR 104 -13.205   9.899   6.552
  314   3HG2  THR 104          3HG2      THR 104 -11.763  10.843   6.170
  315    H    THR 105           HN       THR 105 -11.800   5.900   6.561
  316    HA   THR 105           HA       THR 105 -14.699   5.509   6.874
  317    HB   THR 105           HB       THR 105 -14.724   4.717   4.740
  318    HG1  THR 105           1HG      THR 105 -12.000   4.004   4.928
  319   1HG2  THR 105          1HG2      THR 105 -12.223   6.361   4.647
  320   2HG2  THR 105          2HG2      THR 105 -13.874   6.958   4.472
  321   3HG2  THR 105          3HG2      THR 105 -13.188   5.891   3.246
  322    H    GLY 106           HN       GLY 106 -11.573   4.108   6.985
  323   1HA   GLY 106          1HA       GLY 106 -10.695   2.436   8.218
  324   2HA   GLY 106          2HA       GLY 106 -12.288   2.035   8.797
  325    H    GLN 107           HN       GLN 107 -12.590   2.196   5.536
  326    HA   GLN 107           HA       GLN 107 -13.041  -0.441   5.080
  327   1HB   GLN 107          2HB       GLN 107 -12.363   1.875   3.395
  328   2HB   GLN 107          3HB       GLN 107 -12.353   0.289   2.646
  329   1HG   GLN 107          2HG       GLN 107 -14.532   0.599   2.358
  330   2HG   GLN 107          3HG       GLN 107 -14.654   0.252   4.081
  331   1HE2  GLN 107          1HE2      GLN 107 -15.921   1.622   5.081
  332   2HE2  GLN 107          2HE2      GLN 107 -16.086   3.306   4.737
  333    H    GLU 108           HN       GLU 108 -11.848  -2.179   4.973
  334    HA   GLU 108           HA       GLU 108  -8.945  -1.898   4.975
  335   1HB   GLU 108          2HB       GLU 108 -10.774  -4.202   5.591
  336   2HB   GLU 108          3HB       GLU 108  -9.040  -4.390   5.479
  337   1HG   GLU 108          2HG       GLU 108  -8.774  -3.665   7.537
  338   2HG   GLU 108          3HG       GLU 108  -9.656  -2.183   7.183
  339    H    GLY 109           HN       GLY 109  -7.567  -3.064   3.618
  340   1HA   GLY 109          1HA       GLY 109  -8.182  -4.807   1.589
  341   2HA   GLY 109          2HA       GLY 109  -8.454  -3.213   0.903
  342    H    PHE 110           HN       PHE 110  -6.631  -4.538  -0.386
  343    HA   PHE 110           HA       PHE 110  -3.995  -4.137   0.724
  344   1HB   PHE 110          2HB       PHE 110  -5.179  -5.540  -1.594
  345   2HB   PHE 110          3HB       PHE 110  -3.559  -4.912  -1.824
  346    HD1  PHE 110           1HD      PHE 110  -5.158  -6.360   1.202
  347    HD2  PHE 110           2HD      PHE 110  -2.153  -6.754  -1.788
  348    HE1  PHE 110           1HE      PHE 110  -4.242  -8.315   2.382
  349    HE2  PHE 110           2HE      PHE 110  -1.233  -8.710  -0.613
  350    HZ   PHE 110           HZ       PHE 110  -2.278  -9.492   1.475
  351    H    ILE 111           HN       ILE 111  -2.489  -2.647  -0.001
  352    HA   ILE 111           HA       ILE 111  -3.382  -0.728  -2.044
  353    HB   ILE 111           HB       ILE 111  -2.610   1.156  -0.697
  354   1HG1  ILE 111          2HG1      ILE 111  -2.432  -0.567   1.738
  355   2HG1  ILE 111          3HG1      ILE 111  -1.064  -0.517   0.638
  356   1HG2  ILE 111          1HG2      ILE 111  -4.496  -0.351   1.067
  357   2HG2  ILE 111          2HG2      ILE 111  -4.501   1.355   0.616
  358   3HG2  ILE 111          3HG2      ILE 111  -4.979   0.131  -0.560
  359   1HD1  ILE 111          1HD1      ILE 111  -1.404   2.082   0.890
  360   2HD1  ILE 111          2HD1      ILE 111  -2.138   1.584   2.415
  361   3HD1  ILE 111          3HD1      ILE 111  -0.470   1.139   2.053
  362    HA   PRO 112           HA       PRO 112   0.603  -1.081  -3.841
  363   1HB   PRO 112          2HB       PRO 112   0.878   1.635  -4.507
  364   2HB   PRO 112          3HB       PRO 112   0.166   0.381  -5.522
  365   1HG   PRO 112          2HG       PRO 112  -1.165   2.406  -3.819
  366   2HG   PRO 112          3HG       PRO 112  -1.715   1.660  -5.318
  367   1HD   PRO 112          2HD       PRO 112  -2.712   0.994  -2.908
  368   2HD   PRO 112          3HD       PRO 112  -2.591  -0.155  -4.245
  369    H    PHE 113           HN       PHE 113   2.195  -1.442  -2.365
  370    HA   PHE 113           HA       PHE 113   2.736   0.021  -0.092
  371   1HB   PHE 113          2HB       PHE 113   4.620  -1.288   0.187
  372   2HB   PHE 113          3HB       PHE 113   3.662  -2.278  -0.905
  373    HD1  PHE 113           1HD      PHE 113   4.161  -1.066  -3.506
  374    HD2  PHE 113           2HD      PHE 113   6.829  -1.733  -0.258
  375    HE1  PHE 113           1HE      PHE 113   6.052  -1.133  -5.078
  376    HE2  PHE 113           2HE      PHE 113   8.724  -1.801  -1.825
  377    HZ   PHE 113           HZ       PHE 113   8.338  -1.500  -4.238
  378    H    ASN 114           HN       ASN 114   3.568   0.800  -3.357
  379    HA   ASN 114           HA       ASN 114   5.452   2.861  -2.478
  380   1HB   ASN 114          2HB       ASN 114   5.879   3.121  -4.937
  381   2HB   ASN 114          3HB       ASN 114   6.262   1.525  -4.304
  382   1HD2  ASN 114          1HD2      ASN 114   3.747   3.367  -5.956
  383   2HD2  ASN 114          2HD2      ASN 114   3.116   2.036  -6.860
  384    H    PHE 115           HN       PHE 115   2.580   3.073  -1.981
  385    HA   PHE 115           HA       PHE 115   1.979   5.448  -3.623
  386   1HB   PHE 115          2HB       PHE 115   0.445   3.117  -3.238
  387   2HB   PHE 115          3HB       PHE 115  -0.354   4.380  -2.318
  388    HD1  PHE 115           1HD      PHE 115   1.514   4.643  -5.522
  389    HD2  PHE 115           2HD      PHE 115  -2.234   4.878  -3.531
  390    HE1  PHE 115           1HE      PHE 115   0.477   5.501  -7.581
  391    HE2  PHE 115           2HE      PHE 115  -3.277   5.733  -5.576
  392    HZ   PHE 115           HZ       PHE 115  -1.925   6.050  -7.613
  393    H    VAL 116           HN       VAL 116   2.311   4.171  -0.414
  394    HA   VAL 116           HA       VAL 116   1.314   6.721   0.668
  395    HB   VAL 116           HB       VAL 116   0.954   5.478   2.798
  396   1HG1  VAL 116          1HG1      VAL 116  -1.163   4.706   2.184
  397   2HG1  VAL 116          2HG1      VAL 116  -0.781   5.957   1.001
  398   3HG1  VAL 116          3HG1      VAL 116  -0.625   4.255   0.567
  399   1HG2  VAL 116          1HG2      VAL 116   1.639   3.127   1.048
  400   2HG2  VAL 116          2HG2      VAL 116   2.369   3.583   2.588
  401   3HG2  VAL 116          3HG2      VAL 116   0.715   2.971   2.540
  402    H    ALA 117           HN       ALA 117   2.329   7.695   2.379
  403    HA   ALA 117           HA       ALA 117   4.998   6.751   3.132
  404   1HB   ALA 117          1HB       ALA 117   4.395   9.107   1.549
  405   2HB   ALA 117          2HB       ALA 117   5.254   9.517   3.033
  406   3HB   ALA 117          3HB       ALA 117   5.951   8.357   1.902
  407    H    LYS 118           HN       LYS 118   5.547   7.226   5.255
  408    HA   LYS 118           HA       LYS 118   3.712   7.316   7.216
  409   1HB   LYS 118          2HB       LYS 118   6.414   8.665   7.273
  410   2HB   LYS 118          3HB       LYS 118   5.444   8.316   8.698
  411   1HG   LYS 118          2HG       LYS 118   6.745   6.365   6.823
  412   2HG   LYS 118          3HG       LYS 118   7.056   6.604   8.544
  413   1HD   LYS 118          2HD       LYS 118   4.778   5.822   9.043
  414   2HD   LYS 118          3HD       LYS 118   4.512   5.541   7.322
  415   1HE   LYS 118          2HE       LYS 118   5.316   3.487   7.615
  416   2HE   LYS 118          3HE       LYS 118   6.893   4.214   7.914
  417   1HZ   LYS 118          1HZ       LYS 118   6.435   4.269  10.250
  418   2HZ   LYS 118          2HZ       LYS 118   6.160   2.696   9.691
  419   3HZ   LYS 118          3HZ       LYS 118   4.853   3.719  10.012
  420    H    ALA 119           HN       ALA 119   2.485   8.745   8.335
  421    HA   ALA 119           HA       ALA 119   1.795  11.210   7.089
  422   1HB   ALA 119          1HB       ALA 119  -0.026  10.363   8.199
  423   2HB   ALA 119          2HB       ALA 119   0.935   9.795   9.570
  424   3HB   ALA 119          3HB       ALA 119   0.560  11.509   9.403
  425    H    ASN 120           HN       ASN 120   4.387  11.582   7.369
  426    HA   ASN 120           HA       ASN 120   4.555  13.848   9.126
  427   1HB   ASN 120          2HB       ASN 120   6.693  12.949  10.213
  428   2HB   ASN 120          3HB       ASN 120   5.164  12.307  10.804
  429   1HD2  ASN 120          1HD2      ASN 120   7.701  11.648   8.423
  430   2HD2  ASN 120          2HD2      ASN 120   7.649   9.929   8.587
  Start of MODEL    3
    1    H    ASN  64           HN       ASN  64   1.164   2.971  12.906
    2    HA   ASN  64           HA       ASN  64   3.368   2.248  11.270
    3   1HB   ASN  64          2HB       ASN  64   1.296   0.160  11.838
    4   2HB   ASN  64          3HB       ASN  64   1.958   0.276  10.215
    5   1HD2  ASN  64          1HD2      ASN  64   2.252  -1.960  11.839
    6   2HD2  ASN  64          2HD2      ASN  64   3.927  -2.146  12.217
    7    H    LEU  65           HN       LEU  65   1.244   4.277  11.646
    8    HA   LEU  65           HA       LEU  65  -0.444   3.947   9.339
    9   1HB   LEU  65          2HB       LEU  65  -1.498   4.982  11.141
   10   2HB   LEU  65          3HB       LEU  65  -0.196   6.117  11.391
   11    HG   LEU  65           HG       LEU  65  -0.782   7.207   9.291
   12   1HD1  LEU  65          1HD1      LEU  65  -3.357   6.204   8.801
   13   2HD1  LEU  65          2HD1      LEU  65  -1.936   6.113   7.757
   14   3HD1  LEU  65          3HD1      LEU  65  -2.273   4.818   8.909
   15   1HD2  LEU  65          1HD2      LEU  65  -1.765   8.059  11.336
   16   2HD2  LEU  65          2HD2      LEU  65  -2.927   8.183  10.014
   17   3HD2  LEU  65          3HD2      LEU  65  -3.083   6.895  11.209
   18    H    VAL  66           HN       VAL  66  -0.422   5.010   7.532
   19    HA   VAL  66           HA       VAL  66   1.883   6.736   6.916
   20    HB   VAL  66           HB       VAL  66   1.596   5.782   4.576
   21   1HG1  VAL  66          1HG1      VAL  66   2.743   4.244   6.876
   22   2HG1  VAL  66          2HG1      VAL  66   2.970   3.734   5.203
   23   3HG1  VAL  66          3HG1      VAL  66   3.582   5.300   5.738
   24   1HG2  VAL  66          1HG2      VAL  66  -0.497   4.638   4.845
   25   2HG2  VAL  66          2HG2      VAL  66   0.760   3.447   4.510
   26   3HG2  VAL  66          3HG2      VAL  66   0.165   3.662   6.157
   27    H    ILE  67           HN       ILE  67   1.404   7.667   4.558
   28    HA   ILE  67           HA       ILE  67  -1.350   8.530   4.322
   29    HB   ILE  67           HB       ILE  67   0.719  10.242   5.391
   30   1HG1  ILE  67          2HG1      ILE  67  -2.231  10.441   4.878
   31   2HG1  ILE  67          3HG1      ILE  67  -1.434  10.034   6.370
   32   1HG2  ILE  67          1HG2      ILE  67   1.097  11.017   3.136
   33   2HG2  ILE  67          2HG2      ILE  67  -0.638  11.192   2.868
   34   3HG2  ILE  67          3HG2      ILE  67   0.186  12.242   4.019
   35   1HD1  ILE  67          1HD1      ILE  67  -0.563  12.611   5.537
   36   2HD1  ILE  67          2HD1      ILE  67  -2.327  12.544   5.503
   37   3HD1  ILE  67          3HD1      ILE  67  -1.457  12.153   6.987
   38    H    ALA  68           HN       ALA  68  -1.980   8.498   2.312
   39    HA   ALA  68           HA       ALA  68  -0.284   7.693   0.222
   40   1HB   ALA  68          1HB       ALA  68  -2.741   8.969  -0.676
   41   2HB   ALA  68          2HB       ALA  68  -2.180   7.309  -0.883
   42   3HB   ALA  68          3HB       ALA  68  -2.996   7.785   0.607
   43    H    LEU  69           HN       LEU  69   0.329   8.736  -1.684
   44    HA   LEU  69           HA       LEU  69   0.517  11.672  -1.490
   45   1HB   LEU  69          2HB       LEU  69   2.508   9.668  -2.542
   46   2HB   LEU  69          3HB       LEU  69   2.648  11.395  -2.814
   47    HG   LEU  69           HG       LEU  69   2.671  10.050  -0.109
   48   1HD1  LEU  69          1HD1      LEU  69   4.756   9.529  -0.949
   49   2HD1  LEU  69          2HD1      LEU  69   4.837  10.984  -1.945
   50   3HD1  LEU  69          3HD1      LEU  69   5.064  11.095  -0.201
   51   1HD2  LEU  69          1HD2      LEU  69   3.013  12.930  -0.929
   52   2HD2  LEU  69          2HD2      LEU  69   1.716  12.249   0.052
   53   3HD2  LEU  69          3HD2      LEU  69   3.364  12.300   0.680
   54    H    HIS  70           HN       HIS  70  -1.286   9.579  -2.949
   55    HA   HIS  70           HA       HIS  70  -1.722  11.136  -5.283
   56   1HB   HIS  70          2HB       HIS  70  -1.289   8.671  -6.543
   57   2HB   HIS  70          3HB       HIS  70  -0.327  10.131  -6.724
   58    HD1  HIS  70           1HD      HIS  70   1.895   8.927  -7.001
   59    HD2  HIS  70           2HD      HIS  70  -0.065   7.929  -3.481
   60    HE1  HIS  70           1HE      HIS  70   3.579   7.664  -5.634
   61    HE2  HIS  70           2HE      HIS  70   2.426   7.239  -3.438
   62    H    SER  71           HN       SER  71  -3.734  10.750  -6.151
   63    HA   SER  71           HA       SER  71  -5.633   9.400  -4.606
   64   1HB   SER  71          2HB       SER  71  -6.210   9.718  -7.501
   65   2HB   SER  71          3HB       SER  71  -7.175  10.184  -6.102
   66    HG   SER  71           HG       SER  71  -6.038  12.033  -5.913
   67    H    TYR  72           HN       TYR  72  -6.113   7.313  -4.415
   68    HA   TYR  72           HA       TYR  72  -5.000   5.460  -6.406
   69   1HB   TYR  72          2HB       TYR  72  -4.347   5.171  -4.005
   70   2HB   TYR  72          3HB       TYR  72  -6.021   4.781  -3.652
   71    HD1  TYR  72           1HD      TYR  72  -3.738   3.752  -6.432
   72    HD2  TYR  72           2HD      TYR  72  -6.189   2.533  -3.177
   73    HE1  TYR  72           1HE      TYR  72  -3.337   1.400  -7.016
   74    HE2  TYR  72           2HE      TYR  72  -5.786   0.179  -3.748
   75    HH   TYR  72           HH       TYR  72  -4.663  -0.841  -6.625
   76    H    GLU  73           HN       GLU  73  -6.158   3.831  -7.327
   77    HA   GLU  73           HA       GLU  73  -9.036   3.729  -6.876
   78   1HB   GLU  73          2HB       GLU  73  -7.747   4.797  -9.157
   79   2HB   GLU  73          3HB       GLU  73  -8.559   3.321  -9.632
   80   1HG   GLU  73          2HG       GLU  73 -10.657   4.147  -8.912
   81   2HG   GLU  73          3HG       GLU  73  -9.898   5.505  -8.083
   82    HA   PRO  74           HA       PRO  74  -7.397  -0.479  -6.141
   83   1HB   PRO  74          2HB       PRO  74 -10.201  -1.186  -6.106
   84   2HB   PRO  74          3HB       PRO  74  -9.052  -1.145  -4.768
   85   1HG   PRO  74          2HG       PRO  74 -11.020   0.876  -5.597
   86   2HG   PRO  74          3HG       PRO  74 -10.222   0.653  -4.032
   87   1HD   PRO  74          2HD       PRO  74  -9.617   2.719  -5.673
   88   2HD   PRO  74          3HD       PRO  74  -8.392   1.931  -4.648
   89    H    SER  75           HN       SER  75  -6.898  -1.980  -7.576
   90    HA   SER  75           HA       SER  75  -8.625  -2.355  -9.926
   91   1HB   SER  75          2HB       SER  75  -6.399  -1.009 -10.268
   92   2HB   SER  75          3HB       SER  75  -5.647  -2.602 -10.184
   93    HG   SER  75           HG       SER  75  -7.818  -2.039 -11.909
   94    H    HIS  76           HN       HIS  76  -6.051  -3.711  -7.898
   95    HA   HIS  76           HA       HIS  76  -6.459  -6.380  -8.903
   96   1HB   HIS  76          2HB       HIS  76  -4.644  -5.086  -6.934
   97   2HB   HIS  76          3HB       HIS  76  -4.969  -6.801  -6.710
   98    HD1  HIS  76           1HD      HIS  76  -2.943  -4.470  -8.658
   99    HD2  HIS  76           2HD      HIS  76  -4.205  -8.412  -9.012
  100    HE1  HIS  76           1HE      HIS  76  -1.444  -5.502 -10.393
  101    HE2  HIS  76           2HE      HIS  76  -2.172  -7.909 -10.531
  102    H    ASP  77           HN       ASP  77  -7.303  -8.143  -7.747
  103    HA   ASP  77           HA       ASP  77  -9.642  -7.645  -6.296
  104   1HB   ASP  77          2HB       ASP  77  -7.965 -10.120  -6.670
  105   2HB   ASP  77          3HB       ASP  77  -9.429 -10.136  -5.692
  106    H    GLY  78           HN       GLY  78 -10.053  -7.290  -4.204
  107   1HA   GLY  78          1HA       GLY  78  -9.772  -7.320  -1.900
  108   2HA   GLY  78          2HA       GLY  78  -8.295  -8.241  -2.126
  109    H    ASP  79           HN       ASP  79  -8.838  -5.205  -3.772
  110    HA   ASP  79           HA       ASP  79  -6.586  -4.076  -2.287
  111   1HB   ASP  79          2HB       ASP  79  -7.904  -3.318  -4.891
  112   2HB   ASP  79          3HB       ASP  79  -6.708  -2.293  -4.102
  113    H    LEU  80           HN       LEU  80  -6.655  -1.846  -1.611
  114    HA   LEU  80           HA       LEU  80  -9.357  -0.993  -0.810
  115   1HB   LEU  80          2HB       LEU  80  -8.456  -1.385   1.241
  116   2HB   LEU  80          3HB       LEU  80  -6.810  -1.208   0.673
  117    HG   LEU  80           HG       LEU  80  -7.341   1.324   0.605
  118   1HD1  LEU  80          1HD1      LEU  80  -9.706   0.208   2.000
  119   2HD1  LEU  80          2HD1      LEU  80  -9.006   1.695   2.639
  120   3HD1  LEU  80          3HD1      LEU  80  -9.565   1.630   0.967
  121   1HD2  LEU  80          1HD2      LEU  80  -5.977   1.303   2.349
  122   2HD2  LEU  80          2HD2      LEU  80  -7.292   0.798   3.409
  123   3HD2  LEU  80          3HD2      LEU  80  -6.316  -0.411   2.574
  124    H    GLY  81           HN       GLY  81  -9.986   1.021  -1.370
  125   1HA   GLY  81          1HA       GLY  81  -8.079   2.601  -2.931
  126   2HA   GLY  81          2HA       GLY  81  -9.820   2.782  -2.960
  127    H    PHE  82           HN       PHE  82  -7.521   4.658  -2.499
  128    HA   PHE  82           HA       PHE  82  -8.718   6.029  -0.227
  129   1HB   PHE  82          2HB       PHE  82  -6.254   6.633   0.446
  130   2HB   PHE  82          3HB       PHE  82  -6.990   5.143   1.015
  131    HD1  PHE  82           1HD      PHE  82  -6.599   3.060  -0.566
  132    HD2  PHE  82           2HD      PHE  82  -4.154   6.539  -0.480
  133    HE1  PHE  82           1HE      PHE  82  -4.743   1.779  -1.543
  134    HE2  PHE  82           2HE      PHE  82  -2.286   5.253  -1.455
  135    HZ   PHE  82           HZ       PHE  82  -2.586   2.873  -1.984
  136    H    GLU  83           HN       GLU  83  -7.511   8.261  -0.001
  137    HA   GLU  83           HA       GLU  83  -7.372   9.359  -2.728
  138   1HB   GLU  83          2HB       GLU  83  -8.681  10.198  -0.272
  139   2HB   GLU  83          3HB       GLU  83  -7.697  11.477  -0.962
  140   1HG   GLU  83          2HG       GLU  83  -9.046  10.446  -3.135
  141   2HG   GLU  83          3HG       GLU  83 -10.236  10.404  -1.836
  142    H    LYS  84           HN       LYS  84  -6.036  11.451  -2.823
  143    HA   LYS  84           HA       LYS  84  -3.368  10.820  -2.043
  144   1HB   LYS  84          2HB       LYS  84  -3.482  12.008  -4.044
  145   2HB   LYS  84          3HB       LYS  84  -4.678  13.131  -3.425
  146   1HG   LYS  84          2HG       LYS  84  -2.727  13.877  -1.846
  147   2HG   LYS  84          3HG       LYS  84  -1.716  13.125  -3.078
  148   1HD   LYS  84          2HD       LYS  84  -3.834  15.142  -3.754
  149   2HD   LYS  84          3HD       LYS  84  -2.194  15.620  -3.314
  150   1HE   LYS  84          2HE       LYS  84  -1.371  14.114  -5.145
  151   2HE   LYS  84          3HE       LYS  84  -3.050  13.911  -5.644
  152   1HZ   LYS  84          1HZ       LYS  84  -3.187  16.311  -5.977
  153   2HZ   LYS  84          2HZ       LYS  84  -1.974  15.627  -6.938
  154   3HZ   LYS  84          3HZ       LYS  84  -1.563  16.480  -5.535
  155    H    GLY  85           HN       GLY  85  -2.362  11.297  -0.210
  156   1HA   GLY  85          1HA       GLY  85  -1.800  12.527   1.709
  157   2HA   GLY  85          2HA       GLY  85  -3.188  13.573   1.412
  158    H    GLU  86           HN       GLU  86  -4.698  10.868   1.012
  159    HA   GLU  86           HA       GLU  86  -6.024  10.768   3.433
  160   1HB   GLU  86          2HB       GLU  86  -6.348   9.572   1.028
  161   2HB   GLU  86          3HB       GLU  86  -5.726   8.219   1.954
  162   1HG   GLU  86          2HG       GLU  86  -8.347   9.077   1.763
  163   2HG   GLU  86          3HG       GLU  86  -7.702   7.849   2.830
  164    H    GLN  87           HN       GLN  87  -6.064   8.862   4.929
  165    HA   GLN  87           HA       GLN  87  -3.330   7.893   5.408
  166   1HB   GLN  87          2HB       GLN  87  -5.273   8.442   7.628
  167   2HB   GLN  87          3HB       GLN  87  -3.541   8.191   7.732
  168   1HG   GLN  87          2HG       GLN  87  -3.063  10.326   7.290
  169   2HG   GLN  87          3HG       GLN  87  -4.338  10.468   6.085
  170   1HE2  GLN  87          1HE2      GLN  87  -4.030  10.003   9.591
  171   2HE2  GLN  87          2HE2      GLN  87  -5.264  11.131  10.022
  172    H    LEU  88           HN       LEU  88  -3.074   5.880   6.178
  173    HA   LEU  88           HA       LEU  88  -5.394   4.161   6.586
  174   1HB   LEU  88          2HB       LEU  88  -3.282   3.032   4.846
  175   2HB   LEU  88          3HB       LEU  88  -4.996   2.678   4.902
  176    HG   LEU  88           HG       LEU  88  -4.428   5.364   3.901
  177   1HD1  LEU  88          1HD1      LEU  88  -2.520   3.640   3.136
  178   2HD1  LEU  88          2HD1      LEU  88  -3.751   3.295   1.919
  179   3HD1  LEU  88          3HD1      LEU  88  -3.134   4.937   2.108
  180   1HD2  LEU  88          1HD2      LEU  88  -6.581   4.720   3.505
  181   2HD2  LEU  88          2HD2      LEU  88  -5.830   4.182   1.997
  182   3HD2  LEU  88          3HD2      LEU  88  -6.138   3.020   3.289
  183    H    ARG  89           HN       ARG  89  -5.059   2.851   8.217
  184    HA   ARG  89           HA       ARG  89  -2.480   2.768   9.466
  185   1HB   ARG  89          2HB       ARG  89  -4.312   2.930  10.949
  186   2HB   ARG  89          3HB       ARG  89  -5.188   1.639  10.139
  187   1HG   ARG  89          2HG       ARG  89  -3.617   0.020  10.938
  188   2HG   ARG  89          3HG       ARG  89  -2.632   1.289  11.651
  189   1HD   ARG  89          2HD       ARG  89  -4.748   1.915  12.946
  190   2HD   ARG  89          3HD       ARG  89  -5.335   0.324  12.493
  191    HE   ARG  89           HE       ARG  89  -2.723   0.409  13.749
  192   1HH1  ARG  89          2HH1      ARG  89  -6.161  -0.032  14.186
  193   2HH1  ARG  89          1HH1      ARG  89  -5.987  -0.888  15.680
  194   1HH2  ARG  89          2HH2      ARG  89  -2.497  -0.716  15.716
  195   2HH2  ARG  89          1HH2      ARG  89  -3.908  -1.276  16.549
  196    H    ILE  90           HN       ILE  90  -1.048   1.570   8.437
  197    HA   ILE  90           HA       ILE  90  -1.544  -0.603   6.787
  198    HB   ILE  90           HB       ILE  90   1.026  -0.146   8.299
  199   1HG1  ILE  90          2HG1      ILE  90   0.232   1.904   7.159
  200   2HG1  ILE  90          3HG1      ILE  90   1.718   1.290   6.472
  201   1HG2  ILE  90          1HG2      ILE  90   1.969  -1.668   6.964
  202   2HG2  ILE  90          2HG2      ILE  90   0.320  -2.195   6.628
  203   3HG2  ILE  90          3HG2      ILE  90   1.124  -1.067   5.537
  204   1HD1  ILE  90          1HD1      ILE  90   0.768   1.314   4.479
  205   2HD1  ILE  90          2HD1      ILE  90  -0.411   0.128   5.036
  206   3HD1  ILE  90          3HD1      ILE  90  -0.753   1.850   5.190
  207    H    LEU  91           HN       LEU  91  -2.443  -2.413   7.286
  208    HA   LEU  91           HA       LEU  91  -2.310  -3.586   9.916
  209   1HB   LEU  91          2HB       LEU  91  -3.374  -4.855   7.397
  210   2HB   LEU  91          3HB       LEU  91  -3.842  -5.191   9.051
  211    HG   LEU  91           HG       LEU  91  -4.410  -2.634   7.556
  212   1HD1  LEU  91          1HD1      LEU  91  -5.945  -3.958   6.585
  213   2HD1  LEU  91          2HD1      LEU  91  -5.947  -5.126   7.907
  214   3HD1  LEU  91          3HD1      LEU  91  -6.831  -3.607   8.069
  215   1HD2  LEU  91          1HD2      LEU  91  -6.068  -2.889   9.806
  216   2HD2  LEU  91          2HD2      LEU  91  -4.432  -3.253  10.356
  217   3HD2  LEU  91          3HD2      LEU  91  -4.770  -1.723   9.546
  218    H    GLU  92           HN       GLU  92  -1.215  -4.305   6.666
  219    HA   GLU  92           HA       GLU  92   1.068  -5.759   7.723
  220   1HB   GLU  92          2HB       GLU  92  -1.167  -7.060   6.478
  221   2HB   GLU  92          3HB       GLU  92   0.251  -7.222   5.448
  222   1HG   GLU  92          2HG       GLU  92   0.982  -8.852   6.742
  223   2HG   GLU  92          3HG       GLU  92   1.113  -7.699   8.073
  224    H    GLN  93           HN       GLN  93   2.818  -5.916   6.165
  225    HA   GLN  93           HA       GLN  93   2.493  -4.227   3.814
  226   1HB   GLN  93          2HB       GLN  93   4.901  -3.367   4.610
  227   2HB   GLN  93          3HB       GLN  93   3.405  -2.548   5.020
  228   1HG   GLN  93          2HG       GLN  93   3.339  -3.816   7.111
  229   2HG   GLN  93          3HG       GLN  93   4.885  -4.514   6.684
  230   1HE2  GLN  93          1HE2      GLN  93   6.650  -3.523   7.388
  231   2HE2  GLN  93          2HE2      GLN  93   6.731  -1.895   7.959
  232    H    SER  94           HN       SER  94   2.739  -7.039   3.976
  233    HA   SER  94           HA       SER  94   5.467  -7.668   3.244
  234   1HB   SER  94          2HB       SER  94   4.838  -9.643   4.072
  235   2HB   SER  94          3HB       SER  94   3.150  -9.147   4.123
  236    HG   SER  94           HG       SER  94   2.925  -9.837   1.993
  237    H    GLY  95           HN       GLY  95   6.237  -7.819   1.235
  238   1HA   GLY  95          1HA       GLY  95   6.270  -7.943  -1.080
  239   2HA   GLY  95          2HA       GLY  95   4.564  -8.340  -1.033
  240    H    GLU  96           HN       GLU  96   5.544  -6.815  -2.994
  241    HA   GLU  96           HA       GLU  96   5.686  -4.094  -2.783
  242   1HB   GLU  96          2HB       GLU  96   6.049  -4.682  -4.926
  243   2HB   GLU  96          3HB       GLU  96   4.911  -6.022  -4.844
  244   1HG   GLU  96          2HG       GLU  96   3.086  -4.590  -5.146
  245   2HG   GLU  96          3HG       GLU  96   4.102  -3.157  -5.033
  246    H    TRP  97           HN       TRP  97   2.915  -6.059  -2.178
  247    HA   TRP  97           HA       TRP  97   1.204  -3.669  -2.200
  248   1HB   TRP  97          2HB       TRP  97   0.606  -6.590  -2.554
  249   2HB   TRP  97          3HB       TRP  97  -0.657  -5.454  -2.093
  250    HD1  TRP  97           1HD      TRP  97   1.645  -6.340  -5.024
  251    HE1  TRP  97           1HE      TRP  97   0.751  -5.194  -7.148
  252    HE3  TRP  97           3HE      TRP  97  -2.051  -3.509  -2.923
  253    HZ2  TRP  97           2HZ      TRP  97  -1.253  -3.329  -7.838
  254    HZ3  TRP  97           3HZ      TRP  97  -3.407  -2.069  -4.375
  255    HH2  TRP  97           2HH      TRP  97  -3.013  -1.976  -6.784
  256    H    TRP  98           HN       TRP  98   0.862  -2.783  -0.276
  257    HA   TRP  98           HA       TRP  98   1.144  -4.424   2.128
  258   1HB   TRP  98          2HB       TRP  98   1.151  -1.441   1.714
  259   2HB   TRP  98          3HB       TRP  98   1.147  -2.198   3.297
  260    HD1  TRP  98           1HD      TRP  98   3.223  -4.345   1.250
  261    HE1  TRP  98           1HE      TRP  98   5.724  -3.811   1.565
  262    HE3  TRP  98           3HE      TRP  98   2.768   0.163   3.550
  263    HZ2  TRP  98           2HZ      TRP  98   7.297  -1.713   2.649
  264    HZ3  TRP  98           3HZ      TRP  98   4.803   1.391   4.195
  265    HH2  TRP  98           2HH      TRP  98   7.024   0.466   3.755
  266    H    LYS  99           HN       LYS  99  -0.427  -4.679   3.619
  267    HA   LYS  99           HA       LYS  99  -3.142  -4.056   2.807
  268   1HB   LYS  99          2HB       LYS  99  -2.711  -6.292   3.658
  269   2HB   LYS  99          3HB       LYS  99  -2.018  -5.630   5.129
  270   1HG   LYS  99          2HG       LYS  99  -4.411  -6.554   5.200
  271   2HG   LYS  99          3HG       LYS  99  -4.074  -5.008   5.982
  272   1HD   LYS  99          2HD       LYS  99  -5.083  -3.791   4.307
  273   2HD   LYS  99          3HD       LYS  99  -5.011  -5.121   3.148
  274   1HE   LYS  99          2HE       LYS  99  -6.512  -5.960   5.425
  275   2HE   LYS  99          3HE       LYS  99  -7.134  -4.405   4.880
  276   1HZ   LYS  99          1HZ       LYS  99  -6.794  -5.821   2.578
  277   2HZ   LYS  99          2HZ       LYS  99  -8.262  -5.576   3.382
  278   3HZ   LYS  99          3HZ       LYS  99  -7.369  -6.984   3.665
  279    H    ALA 100           HN       ALA 100  -4.031  -2.165   3.400
  280    HA   ALA 100           HA       ALA 100  -3.201  -1.017   5.986
  281   1HB   ALA 100          1HB       ALA 100  -4.189   0.814   3.876
  282   2HB   ALA 100          2HB       ALA 100  -2.969   1.069   5.128
  283   3HB   ALA 100          3HB       ALA 100  -2.566   0.143   3.679
  284    H    GLN 101           HN       GLN 101  -4.734  -0.079   7.266
  285    HA   GLN 101           HA       GLN 101  -7.513  -0.558   6.436
  286   1HB   GLN 101          2HB       GLN 101  -7.020  -1.827   8.410
  287   2HB   GLN 101          3HB       GLN 101  -6.276  -0.448   9.195
  288   1HG   GLN 101          2HG       GLN 101  -8.554   0.627   8.989
  289   2HG   GLN 101          3HG       GLN 101  -9.172  -0.968   8.633
  290   1HE2  GLN 101          1HE2      GLN 101  -7.670   1.067  11.034
  291   2HE2  GLN 101          2HE2      GLN 101  -8.038   0.074  12.399
  292    H    SER 102           HN       SER 102  -8.391   1.249   5.723
  293    HA   SER 102           HA       SER 102  -7.412   3.802   5.984
  294   1HB   SER 102          2HB       SER 102  -9.811   2.527   5.031
  295   2HB   SER 102          3HB       SER 102 -10.189   4.034   5.827
  296    HG   SER 102           HG       SER 102  -9.609   4.902   4.007
  297    H    LEU 103           HN       LEU 103  -8.519   5.645   7.148
  298    HA   LEU 103           HA       LEU 103  -9.284   4.755   9.853
  299   1HB   LEU 103          2HB       LEU 103  -7.379   6.906   9.028
  300   2HB   LEU 103          3HB       LEU 103  -8.123   6.886  10.613
  301    HG   LEU 103           HG       LEU 103  -7.213   4.333  10.456
  302   1HD1  LEU 103          1HD1      LEU 103  -4.844   4.580   9.622
  303   2HD1  LEU 103          2HD1      LEU 103  -6.117   4.505   8.402
  304   3HD1  LEU 103          3HD1      LEU 103  -5.390   6.056   8.825
  305   1HD2  LEU 103          1HD2      LEU 103  -5.686   4.888  12.089
  306   2HD2  LEU 103          2HD2      LEU 103  -5.323   6.459  11.367
  307   3HD2  LEU 103          3HD2      LEU 103  -6.855   6.209  12.206
  308    H    THR 104           HN       THR 104  -9.929   6.879   7.229
  309    HA   THR 104           HA       THR 104 -11.761   8.533   8.737
  310    HB   THR 104           HB       THR 104 -11.632   8.396   5.741
  311    HG1  THR 104           1HG      THR 104  -9.865   9.814   5.816
  312   1HG2  THR 104          1HG2      THR 104 -12.183  10.520   7.758
  313   2HG2  THR 104          2HG2      THR 104 -13.222   9.922   6.461
  314   3HG2  THR 104          3HG2      THR 104 -11.799  10.894   6.078
  315    H    THR 105           HN       THR 105 -11.774   5.967   6.394
  316    HA   THR 105           HA       THR 105 -14.672   5.550   6.674
  317    HB   THR 105           HB       THR 105 -14.660   4.763   4.539
  318    HG1  THR 105           1HG      THR 105 -11.934   4.065   4.754
  319   1HG2  THR 105          1HG2      THR 105 -13.816   7.007   4.286
  320   2HG2  THR 105          2HG2      THR 105 -13.106   5.945   3.070
  321   3HG2  THR 105          3HG2      THR 105 -12.165   6.417   4.486
  322    H    GLY 106           HN       GLY 106 -11.541   4.165   6.834
  323   1HA   GLY 106          1HA       GLY 106 -10.674   2.490   8.065
  324   2HA   GLY 106          2HA       GLY 106 -12.270   2.101   8.646
  325    H    GLN 107           HN       GLN 107 -12.533   2.240   5.369
  326    HA   GLN 107           HA       GLN 107 -13.010  -0.400   4.941
  327   1HB   GLN 107          2HB       GLN 107 -12.296   1.893   3.238
  328   2HB   GLN 107          3HB       GLN 107 -12.294   0.299   2.504
  329   1HG   GLN 107          2HG       GLN 107 -14.467   0.626   2.197
  330   2HG   GLN 107          3HG       GLN 107 -14.604   0.293   3.922
  331   1HE2  GLN 107          1HE2      GLN 107 -15.875   1.677   4.897
  332   2HE2  GLN 107          2HE2      GLN 107 -16.022   3.361   4.543
  333    H    GLU 108           HN       GLU 108 -11.825  -2.143   4.913
  334    HA   GLU 108           HA       GLU 108  -8.922  -1.893   4.921
  335   1HB   GLU 108          2HB       GLU 108 -10.753  -4.211   5.505
  336   2HB   GLU 108          3HB       GLU 108  -9.009  -4.340   5.498
  337   1HG   GLU 108          2HG       GLU 108  -8.884  -3.566   7.553
  338   2HG   GLU 108          3HG       GLU 108  -9.810  -2.131   7.127
  339    H    GLY 109           HN       GLY 109  -7.540  -3.040   3.569
  340   1HA   GLY 109          1HA       GLY 109  -8.150  -4.826   1.571
  341   2HA   GLY 109          2HA       GLY 109  -8.423  -3.245   0.858
  342    H    PHE 110           HN       PHE 110  -6.601  -4.586  -0.410
  343    HA   PHE 110           HA       PHE 110  -3.962  -4.190   0.693
  344   1HB   PHE 110          2HB       PHE 110  -5.162  -5.606  -1.598
  345   2HB   PHE 110          3HB       PHE 110  -3.570  -4.932  -1.895
  346    HD1  PHE 110           1HD      PHE 110  -4.983  -6.402   1.210
  347    HD2  PHE 110           2HD      PHE 110  -2.132  -6.752  -1.931
  348    HE1  PHE 110           1HE      PHE 110  -3.965  -8.329   2.352
  349    HE2  PHE 110           2HE      PHE 110  -1.109  -8.680  -0.794
  350    HZ   PHE 110           HZ       PHE 110  -2.026  -9.471   1.350
  351    H    ILE 111           HN       ILE 111  -2.443  -2.710  -0.042
  352    HA   ILE 111           HA       ILE 111  -3.329  -0.781  -2.071
  353    HB   ILE 111           HB       ILE 111  -2.581   1.108  -0.726
  354   1HG1  ILE 111          2HG1      ILE 111  -2.369  -0.594   1.717
  355   2HG1  ILE 111          3HG1      ILE 111  -1.014  -0.558   0.601
  356   1HG2  ILE 111          1HG2      ILE 111  -4.935   0.085  -0.573
  357   2HG2  ILE 111          2HG2      ILE 111  -4.441  -0.430   1.040
  358   3HG2  ILE 111          3HG2      ILE 111  -4.452   1.284   0.625
  359   1HD1  ILE 111          1HD1      ILE 111  -1.347   2.043   0.828
  360   2HD1  ILE 111          2HD1      ILE 111  -2.061   1.563   2.368
  361   3HD1  ILE 111          3HD1      ILE 111  -0.398   1.112   1.989
  362    HA   PRO 112           HA       PRO 112   0.657  -1.185  -3.870
  363   1HB   PRO 112          2HB       PRO 112   0.922   1.551  -4.515
  364   2HB   PRO 112          3HB       PRO 112   0.274   0.282  -5.555
  365   1HG   PRO 112          2HG       PRO 112  -1.161   2.284  -3.924
  366   2HG   PRO 112          3HG       PRO 112  -1.652   1.486  -5.412
  367   1HD   PRO 112          2HD       PRO 112  -2.685   0.858  -3.000
  368   2HD   PRO 112          3HD       PRO 112  -2.515  -0.318  -4.311
  369    H    PHE 113           HN       PHE 113   2.288  -1.523  -2.447
  370    HA   PHE 113           HA       PHE 113   2.821  -0.167  -0.126
  371   1HB   PHE 113          2HB       PHE 113   4.849  -1.323  -0.003
  372   2HB   PHE 113          3HB       PHE 113   3.836  -2.356  -1.004
  373    HD1  PHE 113           1HD      PHE 113   7.010  -1.801  -0.678
  374    HD2  PHE 113           2HD      PHE 113   4.043  -0.986  -3.616
  375    HE1  PHE 113           1HE      PHE 113   8.747  -1.775  -2.420
  376    HE2  PHE 113           2HE      PHE 113   5.774  -0.957  -5.363
  377    HZ   PHE 113           HZ       PHE 113   8.130  -1.353  -4.766
  378    H    ASN 114           HN       ASN 114   3.587   0.859  -3.349
  379    HA   ASN 114           HA       ASN 114   5.343   2.969  -2.326
  380   1HB   ASN 114          2HB       ASN 114   5.725   3.397  -4.808
  381   2HB   ASN 114          3HB       ASN 114   6.331   1.870  -4.178
  382   1HD2  ASN 114          1HD2      ASN 114   5.074   3.073  -6.805
  383   2HD2  ASN 114          2HD2      ASN 114   4.076   1.771  -7.348
  384    H    PHE 115           HN       PHE 115   2.467   2.996  -1.871
  385    HA   PHE 115           HA       PHE 115   1.776   5.440  -3.371
  386   1HB   PHE 115          2HB       PHE 115   0.393   2.990  -3.260
  387   2HB   PHE 115          3HB       PHE 115  -0.540   4.121  -2.297
  388    HD1  PHE 115           1HD      PHE 115   1.414   4.461  -5.461
  389    HD2  PHE 115           2HD      PHE 115  -2.317   4.887  -3.474
  390    HE1  PHE 115           1HE      PHE 115   0.435   5.411  -7.508
  391    HE2  PHE 115           2HE      PHE 115  -3.303   5.833  -5.501
  392    HZ   PHE 115           HZ       PHE 115  -1.931   6.102  -7.534
  393    H    VAL 116           HN       VAL 116   2.990   4.823  -0.543
  394    HA   VAL 116           HA       VAL 116   1.409   6.869   0.765
  395    HB   VAL 116           HB       VAL 116   1.118   5.515   2.837
  396   1HG1  VAL 116          1HG1      VAL 116  -0.331   4.203   0.573
  397   2HG1  VAL 116          2HG1      VAL 116  -0.931   4.647   2.171
  398   3HG1  VAL 116          3HG1      VAL 116  -0.608   5.899   0.971
  399   1HG2  VAL 116          1HG2      VAL 116   2.400   3.489   1.122
  400   2HG2  VAL 116          2HG2      VAL 116   2.403   3.654   2.879
  401   3HG2  VAL 116          3HG2      VAL 116   1.016   2.931   2.064
  402    H    ALA 117           HN       ALA 117   2.355   7.841   2.529
  403    HA   ALA 117           HA       ALA 117   5.066   7.038   3.279
  404   1HB   ALA 117          1HB       ALA 117   5.247   8.741   1.476
  405   2HB   ALA 117          2HB       ALA 117   4.353   9.866   2.499
  406   3HB   ALA 117          3HB       ALA 117   5.933   9.274   3.011
  407    H    LYS 118           HN       LYS 118   5.549   7.472   5.413
  408    HA   LYS 118           HA       LYS 118   3.684   7.500   7.345
  409   1HB   LYS 118          2HB       LYS 118   6.362   8.893   7.454
  410   2HB   LYS 118          3HB       LYS 118   5.380   8.519   8.862
  411   1HG   LYS 118          2HG       LYS 118   6.740   6.605   6.992
  412   2HG   LYS 118          3HG       LYS 118   7.017   6.831   8.721
  413   1HD   LYS 118          2HD       LYS 118   4.749   6.005   9.174
  414   2HD   LYS 118          3HD       LYS 118   4.509   5.746   7.446
  415   1HE   LYS 118          2HE       LYS 118   5.094   3.657   8.533
  416   2HE   LYS 118          3HE       LYS 118   6.382   4.156   7.437
  417   1HZ   LYS 118          1HZ       LYS 118   7.812   4.493   9.128
  418   2HZ   LYS 118          2HZ       LYS 118   6.823   3.379   9.927
  419   3HZ   LYS 118          3HZ       LYS 118   6.621   5.036  10.200
  420    H    ALA 119           HN       ALA 119   2.412   8.890   8.461
  421    HA   ALA 119           HA       ALA 119   1.704  11.362   7.239
  422   1HB   ALA 119          1HB       ALA 119   0.415  11.601   9.532
  423   2HB   ALA 119          2HB       ALA 119  -0.125  10.467   8.296
  424   3HB   ALA 119          3HB       ALA 119   0.816   9.891   9.678
  425    H    ASN 120           HN       ASN 120   4.278  11.779   7.572
  426    HA   ASN 120           HA       ASN 120   4.374  14.009   9.385
  427   1HB   ASN 120          2HB       ASN 120   5.118  11.644  10.509
  428   2HB   ASN 120          3HB       ASN 120   6.661  12.207   9.873
  429   1HD2  ASN 120          1HD2      ASN 120   5.394  11.964  12.630
  430   2HD2  ASN 120          2HD2      ASN 120   5.711  13.496  13.362
  Start of MODEL    4
    1    H    ASN  64           HN       ASN  64   1.195   2.891  12.854
    2    HA   ASN  64           HA       ASN  64   3.410   2.225  11.199
    3   1HB   ASN  64          2HB       ASN  64   1.358   0.114  11.759
    4   2HB   ASN  64          3HB       ASN  64   2.035   0.238  10.142
    5   1HD2  ASN  64          1HD2      ASN  64   2.319  -1.977  11.844
    6   2HD2  ASN  64          2HD2      ASN  64   3.997  -2.156  12.210
    7    H    LEU  65           HN       LEU  65   1.240   4.211  11.610
    8    HA   LEU  65           HA       LEU  65  -0.471   3.883   9.332
    9   1HB   LEU  65          2HB       LEU  65  -1.485   4.953  11.131
   10   2HB   LEU  65          3HB       LEU  65  -0.158   6.063  11.362
   11    HG   LEU  65           HG       LEU  65  -0.747   7.153   9.258
   12   1HD1  LEU  65          1HD1      LEU  65  -1.966   6.080   7.761
   13   2HD1  LEU  65          2HD1      LEU  65  -2.323   4.808   8.932
   14   3HD1  LEU  65          3HD1      LEU  65  -3.361   6.230   8.831
   15   1HD2  LEU  65          1HD2      LEU  65  -2.888   8.160  10.019
   16   2HD2  LEU  65          2HD2      LEU  65  -2.974   6.920  11.270
   17   3HD2  LEU  65          3HD2      LEU  65  -1.654   8.089  11.278
   18    H    VAL  66           HN       VAL  66  -0.482   4.938   7.509
   19    HA   VAL  66           HA       VAL  66   1.860   6.588   6.817
   20    HB   VAL  66           HB       VAL  66   1.450   5.654   4.489
   21   1HG1  VAL  66          1HG1      VAL  66   2.572   3.956   6.695
   22   2HG1  VAL  66          2HG1      VAL  66   2.812   3.623   4.979
   23   3HG1  VAL  66          3HG1      VAL  66   3.441   5.112   5.684
   24   1HG2  VAL  66          1HG2      VAL  66  -0.675   4.600   4.820
   25   2HG2  VAL  66          2HG2      VAL  66   0.518   3.354   4.452
   26   3HG2  VAL  66          3HG2      VAL  66  -0.018   3.598   6.114
   27    H    ILE  67           HN       ILE  67   1.336   7.522   4.465
   28    HA   ILE  67           HA       ILE  67  -1.384   8.472   4.274
   29    HB   ILE  67           HB       ILE  67   0.721  10.141   5.361
   30   1HG1  ILE  67          2HG1      ILE  67  -2.240  10.335   4.916
   31   2HG1  ILE  67          3HG1      ILE  67  -1.402   9.943   6.387
   32   1HG2  ILE  67          1HG2      ILE  67   0.202  12.167   4.041
   33   2HG2  ILE  67          2HG2      ILE  67   1.050  10.942   3.098
   34   3HG2  ILE  67          3HG2      ILE  67  -0.688  11.165   2.896
   35   1HD1  ILE  67          1HD1      ILE  67  -1.443  12.063   6.999
   36   2HD1  ILE  67          2HD1      ILE  67  -0.581  12.526   5.532
   37   3HD1  ILE  67          3HD1      ILE  67  -2.344  12.440   5.529
   38    H    ALA  68           HN       ALA  68  -2.020   8.580   2.267
   39    HA   ALA  68           HA       ALA  68  -0.341   7.772   0.147
   40   1HB   ALA  68          1HB       ALA  68  -3.108   8.132   0.556
   41   2HB   ALA  68          2HB       ALA  68  -2.668   9.054  -0.882
   42   3HB   ALA  68          3HB       ALA  68  -2.295   7.333  -0.789
   43    H    LEU  69           HN       LEU  69   0.343   8.881  -1.698
   44    HA   LEU  69           HA       LEU  69   0.689  11.772  -1.290
   45   1HB   LEU  69          2HB       LEU  69   2.405   9.747  -2.713
   46   2HB   LEU  69          3HB       LEU  69   2.646  11.478  -2.874
   47    HG   LEU  69           HG       LEU  69   2.860   9.877  -0.319
   48   1HD1  LEU  69          1HD1      LEU  69   5.255  10.859  -0.511
   49   2HD1  LEU  69          2HD1      LEU  69   4.829   9.435  -1.461
   50   3HD1  LEU  69          3HD1      LEU  69   4.869  11.028  -2.222
   51   1HD2  LEU  69          1HD2      LEU  69   3.168  12.829  -0.842
   52   2HD2  LEU  69          2HD2      LEU  69   1.979  12.046   0.197
   53   3HD2  LEU  69          3HD2      LEU  69   3.686  12.020   0.637
   54    H    HIS  70           HN       HIS  70  -1.028   9.571  -3.096
   55    HA   HIS  70           HA       HIS  70  -1.811  11.607  -4.988
   56   1HB   HIS  70          2HB       HIS  70  -1.588   9.809  -6.881
   57   2HB   HIS  70          3HB       HIS  70  -0.208  10.800  -6.442
   58    HD1  HIS  70           1HD      HIS  70  -0.725   7.566  -7.435
   59    HD2  HIS  70           2HD      HIS  70   1.153   9.163  -4.101
   60    HE1  HIS  70           1HE      HIS  70   0.853   5.782  -6.638
   61    HE2  HIS  70           2HE      HIS  70   2.119   6.855  -4.744
   62    H    SER  71           HN       SER  71  -3.583  10.651  -6.491
   63    HA   SER  71           HA       SER  71  -5.548   9.458  -4.757
   64   1HB   SER  71          2HB       SER  71  -6.126   9.759  -7.653
   65   2HB   SER  71          3HB       SER  71  -7.105  10.199  -6.256
   66    HG   SER  71           HG       SER  71  -5.054  11.635  -7.523
   67    H    TYR  72           HN       TYR  72  -5.955   7.365  -4.557
   68    HA   TYR  72           HA       TYR  72  -4.778   5.537  -6.531
   69   1HB   TYR  72          2HB       TYR  72  -4.157   5.192  -4.161
   70   2HB   TYR  72          3HB       TYR  72  -5.845   4.898  -3.780
   71    HD1  TYR  72           1HD      TYR  72  -3.718   3.703  -6.610
   72    HD2  TYR  72           2HD      TYR  72  -6.061   2.666  -3.221
   73    HE1  TYR  72           1HE      TYR  72  -3.440   1.323  -7.155
   74    HE2  TYR  72           2HE      TYR  72  -5.788   0.283  -3.751
   75    HH   TYR  72           HH       TYR  72  -5.220  -0.982  -6.270
   76    H    GLU  73           HN       GLU  73  -5.900   3.898  -7.501
   77    HA   GLU  73           HA       GLU  73  -8.791   3.793  -7.135
   78   1HB   GLU  73          2HB       GLU  73  -7.427   4.834  -9.382
   79   2HB   GLU  73          3HB       GLU  73  -8.228   3.355  -9.868
   80   1HG   GLU  73          2HG       GLU  73 -10.345   4.195  -9.214
   81   2HG   GLU  73          3HG       GLU  73  -9.605   5.568  -8.391
   82    HA   PRO  74           HA       PRO  74  -7.188  -0.415  -6.321
   83   1HB   PRO  74          2HB       PRO  74  -9.988  -1.119  -6.314
   84   2HB   PRO  74          3HB       PRO  74  -8.865  -1.044  -4.957
   85   1HG   PRO  74          2HG       PRO  74 -10.820   0.953  -5.876
   86   2HG   PRO  74          3HG       PRO  74 -10.068   0.760  -4.283
   87   1HD   PRO  74          2HD       PRO  74  -9.415   2.797  -5.940
   88   2HD   PRO  74          3HD       PRO  74  -8.219   2.027  -4.870
   89    H    SER  75           HN       SER  75  -6.623  -1.859  -7.786
   90    HA   SER  75           HA       SER  75  -8.329  -2.238 -10.155
   91   1HB   SER  75          2HB       SER  75  -6.124  -0.948 -10.516
   92   2HB   SER  75          3HB       SER  75  -5.329  -2.499 -10.251
   93    HG   SER  75           HG       SER  75  -5.721  -2.176 -12.456
   94    H    HIS  76           HN       HIS  76  -5.936  -3.666  -7.975
   95    HA   HIS  76           HA       HIS  76  -6.325  -6.321  -9.018
   96   1HB   HIS  76          2HB       HIS  76  -4.627  -5.059  -6.940
   97   2HB   HIS  76          3HB       HIS  76  -5.036  -6.753  -6.686
   98    HD1  HIS  76           1HD      HIS  76  -3.779  -8.453  -8.045
   99    HD2  HIS  76           2HD      HIS  76  -3.164  -4.565  -9.375
  100    HE1  HIS  76           1HE      HIS  76  -1.940  -8.610  -9.754
  101    HE2  HIS  76           2HE      HIS  76  -1.522  -6.233 -10.476
  102    H    ASP  77           HN       ASP  77  -6.731  -8.096  -7.253
  103    HA   ASP  77           HA       ASP  77  -9.401  -7.641  -6.290
  104   1HB   ASP  77          2HB       ASP  77  -7.675 -10.070  -5.797
  105   2HB   ASP  77          3HB       ASP  77  -9.433  -9.975  -5.755
  106    H    GLY  78           HN       GLY  78 -10.128  -7.628  -4.172
  107   1HA   GLY  78          1HA       GLY  78 -10.051  -7.138  -1.930
  108   2HA   GLY  78          2HA       GLY  78  -8.612  -8.142  -1.885
  109    H    ASP  79           HN       ASP  79  -9.009  -5.139  -3.704
  110    HA   ASP  79           HA       ASP  79  -6.741  -4.041  -2.218
  111   1HB   ASP  79          2HB       ASP  79  -8.001  -3.257  -4.847
  112   2HB   ASP  79          3HB       ASP  79  -6.715  -2.335  -4.072
  113    H    LEU  80           HN       LEU  80  -6.754  -1.835  -1.535
  114    HA   LEU  80           HA       LEU  80  -9.447  -0.854  -0.860
  115   1HB   LEU  80          2HB       LEU  80  -8.535  -1.364   1.203
  116   2HB   LEU  80          3HB       LEU  80  -6.905  -0.971   0.706
  117    HG   LEU  80           HG       LEU  80  -7.710   1.470   0.680
  118   1HD1  LEU  80          1HD1      LEU  80 -10.029   0.077   1.895
  119   2HD1  LEU  80          2HD1      LEU  80  -9.538   1.622   2.593
  120   3HD1  LEU  80          3HD1      LEU  80  -9.976   1.523   0.886
  121   1HD2  LEU  80          1HD2      LEU  80  -7.290   1.697   3.082
  122   2HD2  LEU  80          2HD2      LEU  80  -7.496  -0.042   3.274
  123   3HD2  LEU  80          3HD2      LEU  80  -6.153   0.584   2.320
  124    H    GLY  81           HN       GLY  81  -9.992   1.054  -1.704
  125   1HA   GLY  81          1HA       GLY  81  -7.942   2.592  -3.093
  126   2HA   GLY  81          2HA       GLY  81  -9.670   2.816  -3.244
  127    H    PHE  82           HN       PHE  82  -7.353   4.645  -2.635
  128    HA   PHE  82           HA       PHE  82  -8.670   6.012  -0.416
  129   1HB   PHE  82          2HB       PHE  82  -6.259   6.636   0.361
  130   2HB   PHE  82          3HB       PHE  82  -6.964   5.102   0.847
  131    HD1  PHE  82           1HD      PHE  82  -6.427   3.077  -0.741
  132    HD2  PHE  82           2HD      PHE  82  -4.149   6.662  -0.545
  133    HE1  PHE  82           1HE      PHE  82  -4.490   1.898  -1.694
  134    HE2  PHE  82           2HE      PHE  82  -2.203   5.482  -1.493
  135    HZ   PHE  82           HZ       PHE  82  -2.377   3.097  -2.066
  136    H    GLU  83           HN       GLU  83  -7.546   8.248  -0.124
  137    HA   GLU  83           HA       GLU  83  -7.335   9.402  -2.821
  138   1HB   GLU  83          2HB       GLU  83  -8.708  10.178  -0.380
  139   2HB   GLU  83          3HB       GLU  83  -7.707  11.478  -1.004
  140   1HG   GLU  83          2HG       GLU  83  -8.991  10.513  -3.244
  141   2HG   GLU  83          3HG       GLU  83 -10.218  10.425  -1.983
  142    H    LYS  84           HN       LYS  84  -6.041  11.546  -2.789
  143    HA   LYS  84           HA       LYS  84  -3.371  10.902  -1.993
  144   1HB   LYS  84          2HB       LYS  84  -3.449  12.120  -3.970
  145   2HB   LYS  84          3HB       LYS  84  -4.685  13.209  -3.371
  146   1HG   LYS  84          2HG       LYS  84  -2.784  13.972  -1.733
  147   2HG   LYS  84          3HG       LYS  84  -1.734  13.265  -2.959
  148   1HD   LYS  84          2HD       LYS  84  -3.890  15.215  -3.685
  149   2HD   LYS  84          3HD       LYS  84  -2.307  15.766  -3.136
  150   1HE   LYS  84          2HE       LYS  84  -1.878  13.765  -5.092
  151   2HE   LYS  84          3HE       LYS  84  -3.095  14.870  -5.729
  152   1HZ   LYS  84          1HZ       LYS  84  -0.573  15.848  -4.533
  153   2HZ   LYS  84          2HZ       LYS  84  -1.646  16.678  -5.542
  154   3HZ   LYS  84          3HZ       LYS  84  -0.684  15.437  -6.170
  155    H    GLY  85           HN       GLY  85  -2.378  11.385  -0.148
  156   1HA   GLY  85          1HA       GLY  85  -1.868  12.567   1.809
  157   2HA   GLY  85          2HA       GLY  85  -3.250  13.619   1.503
  158    H    GLU  86           HN       GLU  86  -4.652  10.816   1.033
  159    HA   GLU  86           HA       GLU  86  -6.061  10.709   3.427
  160   1HB   GLU  86          2HB       GLU  86  -6.306   9.529   0.993
  161   2HB   GLU  86          3HB       GLU  86  -5.717   8.175   1.938
  162   1HG   GLU  86          2HG       GLU  86  -8.335   9.066   1.670
  163   2HG   GLU  86          3HG       GLU  86  -7.731   7.800   2.715
  164    H    GLN  87           HN       GLN  87  -6.104   8.798   4.910
  165    HA   GLN  87           HA       GLN  87  -3.371   7.837   5.412
  166   1HB   GLN  87          2HB       GLN  87  -5.334   8.397   7.614
  167   2HB   GLN  87          3HB       GLN  87  -3.606   8.121   7.739
  168   1HG   GLN  87          2HG       GLN  87  -3.084  10.244   7.279
  169   2HG   GLN  87          3HG       GLN  87  -4.368  10.412   6.088
  170   1HE2  GLN  87          1HE2      GLN  87  -3.474  10.761   9.406
  171   2HE2  GLN  87          2HE2      GLN  87  -4.899  11.589   9.925
  172    H    LEU  88           HN       LEU  88  -3.120   5.829   6.210
  173    HA   LEU  88           HA       LEU  88  -5.436   4.098   6.589
  174   1HB   LEU  88          2HB       LEU  88  -3.292   2.998   4.866
  175   2HB   LEU  88          3HB       LEU  88  -4.997   2.607   4.917
  176    HG   LEU  88           HG       LEU  88  -4.450   5.302   3.909
  177   1HD1  LEU  88          1HD1      LEU  88  -2.555   3.587   3.132
  178   2HD1  LEU  88          2HD1      LEU  88  -3.804   3.197   1.947
  179   3HD1  LEU  88          3HD1      LEU  88  -3.204   4.851   2.083
  180   1HD2  LEU  88          1HD2      LEU  88  -6.158   4.751   2.394
  181   2HD2  LEU  88          2HD2      LEU  88  -5.901   3.016   2.617
  182   3HD2  LEU  88          3HD2      LEU  88  -6.619   3.980   3.913
  183    H    ARG  89           HN       ARG  89  -5.103   2.769   8.217
  184    HA   ARG  89           HA       ARG  89  -2.528   2.707   9.480
  185   1HB   ARG  89          2HB       ARG  89  -4.371   2.840  10.958
  186   2HB   ARG  89          3HB       ARG  89  -5.223   1.536  10.142
  187   1HG   ARG  89          2HG       ARG  89  -3.641  -0.061  10.944
  188   2HG   ARG  89          3HG       ARG  89  -2.654   1.216  11.638
  189   1HD   ARG  89          2HD       ARG  89  -4.782   1.834  12.944
  190   2HD   ARG  89          3HD       ARG  89  -5.323   0.215  12.534
  191    HE   ARG  89           HE       ARG  89  -2.698   0.377  13.737
  192   1HH1  ARG  89          2HH1      ARG  89  -6.121  -0.040  14.285
  193   2HH1  ARG  89          1HH1      ARG  89  -5.907  -0.827  15.812
  194   1HH2  ARG  89          2HH2      ARG  89  -2.417  -0.658  15.747
  195   2HH2  ARG  89          1HH2      ARG  89  -3.806  -1.177  16.643
  196    H    ILE  90           HN       ILE  90  -1.084   1.535   8.445
  197    HA   ILE  90           HA       ILE  90  -1.557  -0.645   6.787
  198    HB   ILE  90           HB       ILE  90   1.014  -0.096   8.273
  199   1HG1  ILE  90          2HG1      ILE  90   0.155   1.894   7.085
  200   2HG1  ILE  90          3HG1      ILE  90   1.652   1.303   6.397
  201   1HG2  ILE  90          1HG2      ILE  90   0.379  -2.223   6.687
  202   2HG2  ILE  90          2HG2      ILE  90   1.104  -1.102   5.534
  203   3HG2  ILE  90          3HG2      ILE  90   2.010  -1.610   6.960
  204   1HD1  ILE  90          1HD1      ILE  90   0.679   1.249   4.416
  205   2HD1  ILE  90          2HD1      ILE  90  -0.456   0.041   5.017
  206   3HD1  ILE  90          3HD1      ILE  90  -0.851   1.755   5.130
  207    H    LEU  91           HN       LEU  91  -2.394  -2.473   7.285
  208    HA   LEU  91           HA       LEU  91  -2.213  -3.656   9.906
  209   1HB   LEU  91          2HB       LEU  91  -3.276  -4.891   7.369
  210   2HB   LEU  91          3HB       LEU  91  -3.691  -5.316   9.021
  211    HG   LEU  91           HG       LEU  91  -4.387  -2.734   7.621
  212   1HD1  LEU  91          1HD1      LEU  91  -5.880  -4.165   6.694
  213   2HD1  LEU  91          2HD1      LEU  91  -5.891  -5.246   8.088
  214   3HD1  LEU  91          3HD1      LEU  91  -6.756  -3.709   8.156
  215   1HD2  LEU  91          1HD2      LEU  91  -4.436  -1.943   9.720
  216   2HD2  LEU  91          2HD2      LEU  91  -5.957  -2.830   9.830
  217   3HD2  LEU  91          3HD2      LEU  91  -4.467  -3.554  10.436
  218    H    GLU  92           HN       GLU  92  -1.131  -4.353   6.634
  219    HA   GLU  92           HA       GLU  92   1.176  -5.767   7.692
  220   1HB   GLU  92          2HB       GLU  92  -1.032  -7.116   6.505
  221   2HB   GLU  92          3HB       GLU  92   0.334  -7.214   5.399
  222   1HG   GLU  92          2HG       GLU  92   1.178  -8.843   6.622
  223   2HG   GLU  92          3HG       GLU  92   1.358  -7.698   7.954
  224    H    GLN  93           HN       GLN  93   2.991  -5.402   6.541
  225    HA   GLN  93           HA       GLN  93   2.683  -3.939   4.025
  226   1HB   GLN  93          2HB       GLN  93   4.943  -2.885   4.817
  227   2HB   GLN  93          3HB       GLN  93   3.409  -2.244   5.378
  228   1HG   GLN  93          2HG       GLN  93   3.637  -3.745   7.353
  229   2HG   GLN  93          3HG       GLN  93   5.257  -4.078   6.788
  230   1HE2  GLN  93          1HE2      GLN  93   6.398  -3.165   8.428
  231   2HE2  GLN  93          2HE2      GLN  93   6.369  -1.477   8.797
  232    H    SER  94           HN       SER  94   3.015  -6.729   4.268
  233    HA   SER  94           HA       SER  94   5.791  -7.199   3.487
  234   1HB   SER  94          2HB       SER  94   4.339  -9.604   3.316
  235   2HB   SER  94          3HB       SER  94   5.461  -9.128   4.587
  236    HG   SER  94           HG       SER  94   3.825  -8.924   5.876
  237    H    GLY  95           HN       GLY  95   6.344  -7.221   1.415
  238   1HA   GLY  95          1HA       GLY  95   6.151  -7.867  -0.850
  239   2HA   GLY  95          2HA       GLY  95   4.446  -8.181  -0.584
  240    H    GLU  96           HN       GLU  96   5.449  -6.856  -2.783
  241    HA   GLU  96           HA       GLU  96   5.576  -4.119  -2.782
  242   1HB   GLU  96          2HB       GLU  96   5.951  -4.882  -4.872
  243   2HB   GLU  96          3HB       GLU  96   4.799  -6.200  -4.699
  244   1HG   GLU  96          2HG       GLU  96   2.988  -4.764  -5.108
  245   2HG   GLU  96          3HG       GLU  96   4.031  -3.344  -5.109
  246    H    TRP  97           HN       TRP  97   2.827  -6.072  -2.039
  247    HA   TRP  97           HA       TRP  97   1.104  -3.689  -2.158
  248   1HB   TRP  97          2HB       TRP  97   0.511  -6.617  -2.478
  249   2HB   TRP  97          3HB       TRP  97  -0.756  -5.479  -2.036
  250    HD1  TRP  97           1HD      TRP  97   1.515  -6.447  -4.954
  251    HE1  TRP  97           1HE      TRP  97   0.637  -5.323  -7.097
  252    HE3  TRP  97           3HE      TRP  97  -2.099  -3.482  -2.893
  253    HZ2  TRP  97           2HZ      TRP  97  -1.328  -3.425  -7.816
  254    HZ3  TRP  97           3HZ      TRP  97  -3.431  -2.043  -4.370
  255    HH2  TRP  97           2HH      TRP  97  -3.049  -2.010  -6.782
  256    H    TRP  98           HN       TRP  98   0.740  -2.784  -0.243
  257    HA   TRP  98           HA       TRP  98   1.045  -4.389   2.181
  258   1HB   TRP  98          2HB       TRP  98   0.977  -1.414   1.722
  259   2HB   TRP  98          3HB       TRP  98   0.980  -2.144   3.318
  260    HD1  TRP  98           1HD      TRP  98   3.138  -4.259   1.301
  261    HE1  TRP  98           1HE      TRP  98   5.618  -3.651   1.645
  262    HE3  TRP  98           3HE      TRP  98   2.530   0.245   3.580
  263    HZ2  TRP  98           2HZ      TRP  98   7.118  -1.505   2.733
  264    HZ3  TRP  98           3HZ      TRP  98   4.521   1.534   4.240
  265    HH2  TRP  98           2HH      TRP  98   6.772   0.669   3.828
  266    H    LYS  99           HN       LYS  99  -0.530  -4.748   3.620
  267    HA   LYS  99           HA       LYS  99  -3.257  -4.158   2.840
  268   1HB   LYS  99          2HB       LYS  99  -2.777  -6.381   3.718
  269   2HB   LYS  99          3HB       LYS  99  -2.100  -5.686   5.181
  270   1HG   LYS  99          2HG       LYS  99  -4.500  -6.653   5.219
  271   2HG   LYS  99          3HG       LYS  99  -4.162  -5.126   6.042
  272   1HD   LYS  99          2HD       LYS  99  -5.152  -3.864   4.373
  273   2HD   LYS  99          3HD       LYS  99  -5.110  -5.185   3.205
  274   1HE   LYS  99          2HE       LYS  99  -6.611  -6.004   5.496
  275   2HE   LYS  99          3HE       LYS  99  -7.210  -4.443   4.943
  276   1HZ   LYS  99          1HZ       LYS  99  -8.374  -5.631   3.481
  277   2HZ   LYS  99          2HZ       LYS  99  -7.454  -7.028   3.722
  278   3HZ   LYS  99          3HZ       LYS  99  -6.919  -5.842   2.642
  279    H    ALA 100           HN       ALA 100  -4.066  -2.204   3.361
  280    HA   ALA 100           HA       ALA 100  -3.248  -1.047   5.948
  281   1HB   ALA 100          1HB       ALA 100  -4.282   0.717   3.788
  282   2HB   ALA 100          2HB       ALA 100  -3.107   1.050   5.064
  283   3HB   ALA 100          3HB       ALA 100  -2.632   0.099   3.654
  284    H    GLN 101           HN       GLN 101  -4.768  -0.152   7.264
  285    HA   GLN 101           HA       GLN 101  -7.555  -0.637   6.461
  286   1HB   GLN 101          2HB       GLN 101  -7.032  -1.938   8.410
  287   2HB   GLN 101          3HB       GLN 101  -6.295  -0.564   9.211
  288   1HG   GLN 101          2HG       GLN 101  -8.574   0.498   9.047
  289   2HG   GLN 101          3HG       GLN 101  -9.193  -1.086   8.649
  290   1HE2  GLN 101          1HE2      GLN 101  -7.563   0.822  11.093
  291   2HE2  GLN 101          2HE2      GLN 101  -7.973  -0.188  12.433
  292    H    SER 102           HN       SER 102  -8.429   1.168   5.774
  293    HA   SER 102           HA       SER 102  -7.479   3.720   6.031
  294   1HB   SER 102          2HB       SER 102  -9.897   2.422   5.147
  295   2HB   SER 102          3HB       SER 102 -10.257   3.937   5.933
  296    HG   SER 102           HG       SER 102  -9.772   4.007   3.602
  297    H    LEU 103           HN       LEU 103  -8.574   5.555   7.217
  298    HA   LEU 103           HA       LEU 103  -9.282   4.679   9.939
  299   1HB   LEU 103          2HB       LEU 103  -7.387   6.822   9.070
  300   2HB   LEU 103          3HB       LEU 103  -8.096   6.804  10.671
  301    HG   LEU 103           HG       LEU 103  -7.186   4.242  10.466
  302   1HD1  LEU 103          1HD1      LEU 103  -4.815   4.536   9.638
  303   2HD1  LEU 103          2HD1      LEU 103  -6.090   4.458   8.419
  304   3HD1  LEU 103          3HD1      LEU 103  -5.386   6.013   8.861
  305   1HD2  LEU 103          1HD2      LEU 103  -5.303   6.352  11.418
  306   2HD2  LEU 103          2HD2      LEU 103  -6.840   6.101  12.247
  307   3HD2  LEU 103          3HD2      LEU 103  -5.680   4.774  12.118
  308    H    THR 104           HN       THR 104  -9.953   6.803   7.318
  309    HA   THR 104           HA       THR 104 -11.745   8.483   8.842
  310    HB   THR 104           HB       THR 104 -11.682   8.299   5.845
  311    HG1  THR 104           1HG      THR 104  -9.584   8.583   6.077
  312   1HG2  THR 104          1HG2      THR 104 -13.244   9.849   6.565
  313   2HG2  THR 104          2HG2      THR 104 -11.817  10.806   6.156
  314   3HG2  THR 104          3HG2      THR 104 -12.186  10.448   7.844
  315    H    THR 105           HN       THR 105 -11.821   5.870   6.556
  316    HA   THR 105           HA       THR 105 -14.714   5.469   6.910
  317    HB   THR 105           HB       THR 105 -14.761   4.659   4.782
  318    HG1  THR 105           1HG      THR 105 -12.024   3.988   4.896
  319   1HG2  THR 105          1HG2      THR 105 -12.281   6.330   4.652
  320   2HG2  THR 105          2HG2      THR 105 -13.941   6.903   4.480
  321   3HG2  THR 105          3HG2      THR 105 -13.246   5.833   3.261
  322    H    GLY 106           HN       GLY 106 -11.577   4.084   6.988
  323   1HA   GLY 106          1HA       GLY 106 -10.671   2.423   8.204
  324   2HA   GLY 106          2HA       GLY 106 -12.243   2.041   8.847
  325    H    GLN 107           HN       GLN 107 -12.559   2.151   5.555
  326    HA   GLN 107           HA       GLN 107 -13.066  -0.503   5.195
  327   1HB   GLN 107          2HB       GLN 107 -12.407   1.754   3.424
  328   2HB   GLN 107          3HB       GLN 107 -12.444   0.145   2.727
  329   1HG   GLN 107          2HG       GLN 107 -14.624   0.478   2.499
  330   2HG   GLN 107          3HG       GLN 107 -14.695   0.187   4.235
  331   1HE2  GLN 107          1HE2      GLN 107 -13.959   2.847   1.998
  332   2HE2  GLN 107          2HE2      GLN 107 -14.859   4.046   2.857
  333    H    GLU 108           HN       GLU 108 -11.871  -2.225   5.213
  334    HA   GLU 108           HA       GLU 108  -8.978  -1.978   5.138
  335   1HB   GLU 108          2HB       GLU 108 -10.671  -4.423   5.619
  336   2HB   GLU 108          3HB       GLU 108  -8.947  -4.289   5.879
  337   1HG   GLU 108          2HG       GLU 108  -9.233  -3.452   7.890
  338   2HG   GLU 108          3HG       GLU 108 -10.350  -2.226   7.302
  339    H    GLY 109           HN       GLY 109  -7.618  -2.902   3.669
  340   1HA   GLY 109          1HA       GLY 109  -8.288  -4.764   1.700
  341   2HA   GLY 109          2HA       GLY 109  -8.533  -3.168   1.011
  342    H    PHE 110           HN       PHE 110  -6.773  -4.433  -0.336
  343    HA   PHE 110           HA       PHE 110  -4.109  -4.110   0.765
  344   1HB   PHE 110          2HB       PHE 110  -5.349  -5.566  -1.482
  345   2HB   PHE 110          3HB       PHE 110  -3.737  -4.948  -1.786
  346    HD1  PHE 110           1HD      PHE 110  -2.259  -6.713  -1.677
  347    HD2  PHE 110           2HD      PHE 110  -5.312  -6.378   1.270
  348    HE1  PHE 110           1HE      PHE 110  -1.305  -8.637  -0.476
  349    HE2  PHE 110           2HE      PHE 110  -4.361  -8.300   2.477
  350    HZ   PHE 110           HZ       PHE 110  -2.355  -9.432   1.605
  351    H    ILE 111           HN       ILE 111  -2.622  -2.626   0.070
  352    HA   ILE 111           HA       ILE 111  -3.448  -0.778  -2.062
  353    HB   ILE 111           HB       ILE 111  -2.622   1.139  -0.794
  354   1HG1  ILE 111          2HG1      ILE 111  -2.525  -0.445   1.732
  355   2HG1  ILE 111          3HG1      ILE 111  -1.155  -0.541   0.637
  356   1HG2  ILE 111          1HG2      ILE 111  -5.020   0.281  -0.657
  357   2HG2  ILE 111          2HG2      ILE 111  -4.598  -0.263   0.968
  358   3HG2  ILE 111          3HG2      ILE 111  -4.492   1.449   0.553
  359   1HD1  ILE 111          1HD1      ILE 111  -1.766   1.466   2.531
  360   2HD1  ILE 111          2HD1      ILE 111  -0.367   1.334   1.465
  361   3HD1  ILE 111          3HD1      ILE 111  -1.814   2.186   0.922
  362    HA   PRO 112           HA       PRO 112   0.530  -1.300  -3.824
  363   1HB   PRO 112          2HB       PRO 112   0.877   1.387  -4.568
  364   2HB   PRO 112          3HB       PRO 112   0.145   0.118  -5.551
  365   1HG   PRO 112          2HG       PRO 112  -1.158   2.222  -3.924
  366   2HG   PRO 112          3HG       PRO 112  -1.710   1.443  -5.402
  367   1HD   PRO 112          2HD       PRO 112  -2.737   0.883  -2.979
  368   2HD   PRO 112          3HD       PRO 112  -2.634  -0.316  -4.276
  369    H    PHE 113           HN       PHE 113   2.293  -1.551  -2.580
  370    HA   PHE 113           HA       PHE 113   2.828  -0.182  -0.232
  371   1HB   PHE 113          2HB       PHE 113   4.858  -1.348  -0.129
  372   2HB   PHE 113          3HB       PHE 113   3.802  -2.399  -1.068
  373    HD1  PHE 113           1HD      PHE 113   3.961  -1.035  -3.719
  374    HD2  PHE 113           2HD      PHE 113   6.978  -1.953  -0.862
  375    HE1  PHE 113           1HE      PHE 113   5.639  -1.088  -5.515
  376    HE2  PHE 113           2HE      PHE 113   8.662  -2.010  -2.654
  377    HZ   PHE 113           HZ       PHE 113   7.994  -1.576  -4.984
  378    H    ASN 114           HN       ASN 114   3.434   0.844  -3.468
  379    HA   ASN 114           HA       ASN 114   5.258   2.939  -2.513
  380   1HB   ASN 114          2HB       ASN 114   5.596   3.311  -5.024
  381   2HB   ASN 114          3HB       ASN 114   6.256   1.831  -4.337
  382   1HD2  ASN 114          1HD2      ASN 114   6.122   1.489  -6.797
  383   2HD2  ASN 114          2HD2      ASN 114   4.704   0.675  -7.355
  384    H    PHE 115           HN       PHE 115   2.450   3.074  -1.962
  385    HA   PHE 115           HA       PHE 115   1.689   5.394  -3.615
  386   1HB   PHE 115          2HB       PHE 115   0.317   3.025  -3.315
  387   2HB   PHE 115          3HB       PHE 115  -0.486   4.089  -2.173
  388    HD1  PHE 115           1HD      PHE 115  -0.135   3.151  -5.599
  389    HD2  PHE 115           2HD      PHE 115  -1.373   6.304  -3.025
  390    HE1  PHE 115           1HE      PHE 115  -1.460   4.118  -7.426
  391    HE2  PHE 115           2HE      PHE 115  -2.698   7.276  -4.848
  392    HZ   PHE 115           HZ       PHE 115  -2.743   6.187  -7.057
  393    H    VAL 116           HN       VAL 116   2.336   4.256  -0.430
  394    HA   VAL 116           HA       VAL 116   1.277   6.787   0.640
  395    HB   VAL 116           HB       VAL 116   0.902   5.567   2.792
  396   1HG1  VAL 116          1HG1      VAL 116  -0.734   5.959   0.690
  397   2HG1  VAL 116          2HG1      VAL 116  -0.862   4.209   0.879
  398   3HG1  VAL 116          3HG1      VAL 116  -1.249   5.273   2.232
  399   1HG2  VAL 116          1HG2      VAL 116   0.523   3.059   2.475
  400   2HG2  VAL 116          2HG2      VAL 116   1.521   3.213   1.030
  401   3HG2  VAL 116          3HG2      VAL 116   2.195   3.607   2.613
  402    H    ALA 117           HN       ALA 117   2.306   7.722   2.386
  403    HA   ALA 117           HA       ALA 117   4.961   6.720   3.115
  404   1HB   ALA 117          1HB       ALA 117   4.512   9.633   2.515
  405   2HB   ALA 117          2HB       ALA 117   6.038   8.773   2.718
  406   3HB   ALA 117          3HB       ALA 117   5.057   8.500   1.279
  407    H    LYS 118           HN       LYS 118   5.541   7.190   5.239
  408    HA   LYS 118           HA       LYS 118   3.725   7.283   7.215
  409   1HB   LYS 118          2HB       LYS 118   6.442   8.605   7.240
  410   2HB   LYS 118          3HB       LYS 118   5.486   8.277   8.679
  411   1HG   LYS 118          2HG       LYS 118   6.739   6.300   6.799
  412   2HG   LYS 118          3HG       LYS 118   7.072   6.542   8.515
  413   1HD   LYS 118          2HD       LYS 118   4.794   5.790   9.043
  414   2HD   LYS 118          3HD       LYS 118   4.500   5.512   7.328
  415   1HE   LYS 118          2HE       LYS 118   5.056   3.425   8.445
  416   2HE   LYS 118          3HE       LYS 118   6.313   3.863   7.290
  417   1HZ   LYS 118          1HZ       LYS 118   6.622   4.715  10.076
  418   2HZ   LYS 118          2HZ       LYS 118   7.804   4.305   8.938
  419   3HZ   LYS 118          3HZ       LYS 118   6.907   3.089   9.700
  420    H    ALA 119           HN       ALA 119   2.516   8.718   8.349
  421    HA   ALA 119           HA       ALA 119   1.836  11.194   7.119
  422   1HB   ALA 119          1HB       ALA 119   0.978   9.770   9.594
  423   2HB   ALA 119          2HB       ALA 119   0.624  11.490   9.450
  424   3HB   ALA 119          3HB       ALA 119   0.014  10.366   8.237
  425    H    ASN 120           HN       ASN 120   4.426  11.554   7.373
  426    HA   ASN 120           HA       ASN 120   4.642  13.586   9.475
  427   1HB   ASN 120          2HB       ASN 120   6.119  11.120   9.383
  428   2HB   ASN 120          3HB       ASN 120   7.225  12.474   9.177
  429   1HD2  ASN 120          1HD2      ASN 120   6.778  14.325  10.751
  430   2HD2  ASN 120          2HD2      ASN 120   6.510  13.864  12.394
  Start of MODEL    5
    1    H    ASN  64           HN       ASN  64   2.204   3.361  12.812
    2    HA   ASN  64           HA       ASN  64   3.942   2.117  10.801
    3   1HB   ASN  64          2HB       ASN  64   1.384   0.922  11.884
    4   2HB   ASN  64          3HB       ASN  64   2.133   0.408  10.381
    5   1HD2  ASN  64          1HD2      ASN  64   2.009  -1.632  11.665
    6   2HD2  ASN  64          2HD2      ASN  64   3.381  -2.028  12.631
    7    H    LEU  65           HN       LEU  65   0.909   3.676  11.632
    8    HA   LEU  65           HA       LEU  65  -0.433   3.772   9.293
    9   1HB   LEU  65          2HB       LEU  65  -1.414   4.826  11.122
   10   2HB   LEU  65          3HB       LEU  65  -0.073   5.915  11.356
   11    HG   LEU  65           HG       LEU  65  -0.686   7.059   9.280
   12   1HD1  LEU  65          1HD1      LEU  65  -1.935   6.014   7.781
   13   2HD1  LEU  65          2HD1      LEU  65  -2.304   4.738   8.944
   14   3HD1  LEU  65          3HD1      LEU  65  -3.313   6.180   8.871
   15   1HD2  LEU  65          1HD2      LEU  65  -1.556   7.931  11.360
   16   2HD2  LEU  65          2HD2      LEU  65  -2.781   8.084  10.099
   17   3HD2  LEU  65          3HD2      LEU  65  -2.906   6.797  11.299
   18    H    VAL  66           HN       VAL  66  -0.476   4.878   7.490
   19    HA   VAL  66           HA       VAL  66   1.844   6.557   6.806
   20    HB   VAL  66           HB       VAL  66   1.482   5.628   4.478
   21   1HG1  VAL  66          1HG1      VAL  66   3.467   5.084   5.657
   22   2HG1  VAL  66          2HG1      VAL  66   2.601   3.959   6.705
   23   3HG1  VAL  66          3HG1      VAL  66   2.834   3.574   5.000
   24   1HG2  VAL  66          1HG2      VAL  66  -0.618   4.541   4.712
   25   2HG2  VAL  66          2HG2      VAL  66   0.592   3.287   4.451
   26   3HG2  VAL  66          3HG2      VAL  66  -0.032   3.584   6.072
   27    H    ILE  67           HN       ILE  67   1.308   7.499   4.465
   28    HA   ILE  67           HA       ILE  67  -1.435   8.415   4.310
   29    HB   ILE  67           HB       ILE  67   0.698  10.103   5.305
   30   1HG1  ILE  67          2HG1      ILE  67  -2.271  10.313   4.915
   31   2HG1  ILE  67          3HG1      ILE  67  -1.413   9.929   6.376
   32   1HG2  ILE  67          1HG2      ILE  67   0.985  10.856   3.023
   33   2HG2  ILE  67          2HG2      ILE  67  -0.757  11.072   2.844
   34   3HG2  ILE  67          3HG2      ILE  67   0.150  12.103   3.951
   35   1HD1  ILE  67          1HD1      ILE  67  -1.416  12.058   6.961
   36   2HD1  ILE  67          2HD1      ILE  67  -0.576  12.492   5.471
   37   3HD1  ILE  67          3HD1      ILE  67  -2.340  12.425   5.503
   38    H    ALA  68           HN       ALA  68  -2.120   8.396   2.322
   39    HA   ALA  68           HA       ALA  68  -0.565   7.520   0.179
   40   1HB   ALA  68          1HB       ALA  68  -2.508   7.375  -0.891
   41   2HB   ALA  68          2HB       ALA  68  -3.246   7.924   0.612
   42   3HB   ALA  68          3HB       ALA  68  -2.867   9.084  -0.662
   43    H    LEU  69           HN       LEU  69   0.288   8.515  -1.625
   44    HA   LEU  69           HA       LEU  69   1.026  11.316  -1.223
   45   1HB   LEU  69          2HB       LEU  69   2.161   9.120  -2.940
   46   2HB   LEU  69          3HB       LEU  69   2.680  10.791  -3.079
   47    HG   LEU  69           HG       LEU  69   2.977   8.993  -0.670
   48   1HD1  LEU  69          1HD1      LEU  69   4.666   8.466  -2.224
   49   2HD1  LEU  69          2HD1      LEU  69   4.917  10.158  -2.651
   50   3HD1  LEU  69          3HD1      LEU  69   5.418   9.564  -1.069
   51   1HD2  LEU  69          1HD2      LEU  69   3.165  11.936  -0.970
   52   2HD2  LEU  69          2HD2      LEU  69   2.688  10.964   0.422
   53   3HD2  LEU  69          3HD2      LEU  69   4.395  11.138   0.010
   54    H    HIS  70           HN       HIS  70  -0.849   9.260  -3.281
   55    HA   HIS  70           HA       HIS  70  -1.773  11.600  -4.747
   56   1HB   HIS  70          2HB       HIS  70  -1.703   9.929  -6.842
   57   2HB   HIS  70          3HB       HIS  70  -0.395  11.036  -6.465
   58    HD1  HIS  70           1HD      HIS  70  -0.970   7.616  -7.258
   59    HD2  HIS  70           2HD      HIS  70   1.671   9.650  -4.783
   60    HE1  HIS  70           1HE      HIS  70   0.910   6.005  -6.817
   61    HE2  HIS  70           2HE      HIS  70   2.454   7.227  -5.243
   62    H    SER  71           HN       SER  71  -3.529  10.647  -6.449
   63    HA   SER  71           HA       SER  71  -5.548   9.483  -4.757
   64   1HB   SER  71          2HB       SER  71  -6.046   9.793  -7.669
   65   2HB   SER  71          3HB       SER  71  -7.064  10.234  -6.298
   66    HG   SER  71           HG       SER  71  -4.932  11.654  -7.464
   67    H    TYR  72           HN       TYR  72  -6.013   7.393  -4.585
   68    HA   TYR  72           HA       TYR  72  -4.792   5.553  -6.529
   69   1HB   TYR  72          2HB       TYR  72  -4.201   5.226  -4.147
   70   2HB   TYR  72          3HB       TYR  72  -5.892   4.920  -3.789
   71    HD1  TYR  72           1HD      TYR  72  -6.063   2.686  -3.202
   72    HD2  TYR  72           2HD      TYR  72  -3.749   3.736  -6.607
   73    HE1  TYR  72           1HE      TYR  72  -5.760   0.305  -3.720
   74    HE2  TYR  72           2HE      TYR  72  -3.438   1.357  -7.138
   75    HH   TYR  72           HH       TYR  72  -4.804  -0.837  -6.611
   76    H    GLU  73           HN       GLU  73  -5.902   3.928  -7.516
   77    HA   GLU  73           HA       GLU  73  -8.796   3.806  -7.175
   78   1HB   GLU  73          2HB       GLU  73  -7.418   4.857  -9.410
   79   2HB   GLU  73          3HB       GLU  73  -8.201   3.372  -9.903
   80   1HG   GLU  73          2HG       GLU  73 -10.330   4.191  -9.294
   81   2HG   GLU  73          3HG       GLU  73  -9.621   5.556  -8.431
   82    HA   PRO  74           HA       PRO  74  -7.174  -0.388  -6.340
   83   1HB   PRO  74          2HB       PRO  74  -9.970  -1.110  -6.365
   84   2HB   PRO  74          3HB       PRO  74  -8.859  -1.032  -4.998
   85   1HG   PRO  74          2HG       PRO  74 -10.819   0.953  -5.925
   86   2HG   PRO  74          3HG       PRO  74 -10.072   0.764  -4.330
   87   1HD   PRO  74          2HD       PRO  74  -9.428   2.807  -5.987
   88   2HD   PRO  74          3HD       PRO  74  -8.234   2.049  -4.907
   89    H    SER  75           HN       SER  75  -6.662  -1.932  -7.727
   90    HA   SER  75           HA       SER  75  -8.309  -2.307 -10.134
   91   1HB   SER  75          2HB       SER  75  -5.619  -1.346 -10.024
   92   2HB   SER  75          3HB       SER  75  -5.602  -2.948 -10.760
   93    HG   SER  75           HG       SER  75  -7.360  -0.872 -11.558
   94    H    HIS  76           HN       HIS  76  -5.869  -3.693  -7.968
   95    HA   HIS  76           HA       HIS  76  -6.314  -6.373  -8.930
   96   1HB   HIS  76          2HB       HIS  76  -4.541  -5.077  -6.927
   97   2HB   HIS  76          3HB       HIS  76  -4.934  -6.771  -6.655
   98    HD1  HIS  76           1HD      HIS  76  -3.104  -4.506  -9.007
   99    HD2  HIS  76           2HD      HIS  76  -3.778  -8.568  -8.453
  100    HE1  HIS  76           1HE      HIS  76  -1.482  -5.672 -10.535
  101    HE2  HIS  76           2HE      HIS  76  -1.962  -8.127 -10.240
  102    H    ASP  77           HN       ASP  77  -7.229  -8.092  -7.734
  103    HA   ASP  77           HA       ASP  77  -9.617  -7.469  -6.393
  104   1HB   ASP  77          2HB       ASP  77  -9.587  -9.939  -5.782
  105   2HB   ASP  77          3HB       ASP  77  -9.504  -9.564  -7.500
  106    H    GLY  78           HN       GLY  78 -10.153  -7.273  -4.278
  107   1HA   GLY  78          1HA       GLY  78  -9.916  -7.225  -1.980
  108   2HA   GLY  78          2HA       GLY  78  -8.458  -8.186  -2.157
  109    H    ASP  79           HN       ASP  79  -8.904  -5.130  -3.809
  110    HA   ASP  79           HA       ASP  79  -6.659  -4.057  -2.268
  111   1HB   ASP  79          2HB       ASP  79  -7.874  -3.281  -4.918
  112   2HB   ASP  79          3HB       ASP  79  -6.674  -2.286  -4.098
  113    H    LEU  80           HN       LEU  80  -6.695  -1.824  -1.602
  114    HA   LEU  80           HA       LEU  80  -9.401  -0.897  -0.906
  115   1HB   LEU  80          2HB       LEU  80  -8.530  -1.376   1.163
  116   2HB   LEU  80          3HB       LEU  80  -6.881  -1.073   0.666
  117    HG   LEU  80           HG       LEU  80  -7.679   1.427   0.598
  118   1HD1  LEU  80          1HD1      LEU  80  -9.915   1.438   1.061
  119   2HD1  LEU  80          2HD1      LEU  80  -9.815   0.030   2.119
  120   3HD1  LEU  80          3HD1      LEU  80  -9.268   1.606   2.694
  121   1HD2  LEU  80          1HD2      LEU  80  -6.766  -0.290   2.823
  122   2HD2  LEU  80          2HD2      LEU  80  -5.989   1.103   2.070
  123   3HD2  LEU  80          3HD2      LEU  80  -7.294   1.343   3.232
  124    H    GLY  81           HN       GLY  81  -9.975   0.990  -1.766
  125   1HA   GLY  81          1HA       GLY  81  -7.952   2.582  -3.125
  126   2HA   GLY  81          2HA       GLY  81  -9.686   2.778  -3.272
  127    H    PHE  82           HN       PHE  82  -7.439   4.675  -2.679
  128    HA   PHE  82           HA       PHE  82  -8.767   5.997  -0.445
  129   1HB   PHE  82          2HB       PHE  82  -6.368   6.630   0.361
  130   2HB   PHE  82          3HB       PHE  82  -7.061   5.083   0.823
  131    HD1  PHE  82           1HD      PHE  82  -6.443   3.046  -0.625
  132    HD2  PHE  82           2HD      PHE  82  -4.320   6.726  -0.702
  133    HE1  PHE  82           1HE      PHE  82  -4.495   1.901  -1.598
  134    HE2  PHE  82           2HE      PHE  82  -2.360   5.581  -1.669
  135    HZ   PHE  82           HZ       PHE  82  -2.451   3.165  -2.114
  136    H    GLU  83           HN       GLU  83  -7.578   8.237  -0.123
  137    HA   GLU  83           HA       GLU  83  -7.395   9.408  -2.815
  138   1HB   GLU  83          2HB       GLU  83  -8.741  10.177  -0.356
  139   2HB   GLU  83          3HB       GLU  83  -7.746  11.476  -0.992
  140   1HG   GLU  83          2HG       GLU  83  -9.056  10.515  -3.217
  141   2HG   GLU  83          3HG       GLU  83 -10.269  10.426  -1.942
  142    H    LYS  84           HN       LYS  84  -6.095  11.550  -2.771
  143    HA   LYS  84           HA       LYS  84  -3.419  10.891  -1.998
  144   1HB   LYS  84          2HB       LYS  84  -3.541  12.112  -3.981
  145   2HB   LYS  84          3HB       LYS  84  -4.731  13.225  -3.340
  146   1HG   LYS  84          2HG       LYS  84  -2.794  13.958  -1.759
  147   2HG   LYS  84          3HG       LYS  84  -1.768  13.191  -2.969
  148   1HD   LYS  84          2HD       LYS  84  -3.855  15.215  -3.714
  149   2HD   LYS  84          3HD       LYS  84  -2.234  15.697  -3.214
  150   1HE   LYS  84          2HE       LYS  84  -1.499  13.937  -5.017
  151   2HE   LYS  84          3HE       LYS  84  -3.115  14.232  -5.658
  152   1HZ   LYS  84          1HZ       LYS  84  -2.628  16.449  -6.078
  153   2HZ   LYS  84          2HZ       LYS  84  -1.201  15.657  -6.522
  154   3HZ   LYS  84          3HZ       LYS  84  -1.290  16.469  -5.042
  155    H    GLY  85           HN       GLY  85  -2.395  11.388  -0.162
  156   1HA   GLY  85          1HA       GLY  85  -1.882  12.558   1.800
  157   2HA   GLY  85          2HA       GLY  85  -3.257  13.622   1.496
  158    H    GLU  86           HN       GLU  86  -4.657  10.804   1.030
  159    HA   GLU  86           HA       GLU  86  -6.073  10.713   3.424
  160   1HB   GLU  86          2HB       GLU  86  -6.322   9.525   0.993
  161   2HB   GLU  86          3HB       GLU  86  -5.736   8.174   1.942
  162   1HG   GLU  86          2HG       GLU  86  -8.351   9.071   1.673
  163   2HG   GLU  86          3HG       GLU  86  -7.749   7.806   2.720
  164    H    GLN  87           HN       GLN  87  -6.118   8.807   4.912
  165    HA   GLN  87           HA       GLN  87  -3.387   7.838   5.409
  166   1HB   GLN  87          2HB       GLN  87  -5.342   8.406   7.617
  167   2HB   GLN  87          3HB       GLN  87  -3.614   8.122   7.737
  168   1HG   GLN  87          2HG       GLN  87  -3.086  10.244   7.277
  169   2HG   GLN  87          3HG       GLN  87  -4.375  10.417   6.091
  170   1HE2  GLN  87          1HE2      GLN  87  -3.938  10.026   9.588
  171   2HE2  GLN  87          2HE2      GLN  87  -5.176  11.141  10.043
  172    H    LEU  88           HN       LEU  88  -3.142   5.832   6.231
  173    HA   LEU  88           HA       LEU  88  -5.465   4.111   6.599
  174   1HB   LEU  88          2HB       LEU  88  -3.323   3.000   4.878
  175   2HB   LEU  88          3HB       LEU  88  -5.028   2.611   4.931
  176    HG   LEU  88           HG       LEU  88  -4.480   5.303   3.913
  177   1HD1  LEU  88          1HD1      LEU  88  -3.853   3.211   1.938
  178   2HD1  LEU  88          2HD1      LEU  88  -3.222   4.851   2.100
  179   3HD1  LEU  88          3HD1      LEU  88  -2.598   3.560   3.129
  180   1HD2  LEU  88          1HD2      LEU  88  -6.169   4.721   2.362
  181   2HD2  LEU  88          2HD2      LEU  88  -5.950   2.993   2.673
  182   3HD2  LEU  88          3HD2      LEU  88  -6.659   4.034   3.915
  183    H    ARG  89           HN       ARG  89  -5.136   2.810   8.245
  184    HA   ARG  89           HA       ARG  89  -2.567   2.754   9.510
  185   1HB   ARG  89          2HB       ARG  89  -4.418   2.916  10.975
  186   2HB   ARG  89          3HB       ARG  89  -5.259   1.587  10.188
  187   1HG   ARG  89          2HG       ARG  89  -3.631   0.029  11.013
  188   2HG   ARG  89          3HG       ARG  89  -2.700   1.341  11.717
  189   1HD   ARG  89          2HD       ARG  89  -4.813   1.908  13.013
  190   2HD   ARG  89          3HD       ARG  89  -5.392   0.318  12.543
  191    HE   ARG  89           HE       ARG  89  -2.785   0.344  13.780
  192   1HH1  ARG  89          2HH1      ARG  89  -6.228   0.102  14.309
  193   2HH1  ARG  89          1HH1      ARG  89  -6.063  -0.713  15.828
  194   1HH2  ARG  89          2HH2      ARG  89  -2.568  -0.729  15.778
  195   2HH2  ARG  89          1HH2      ARG  89  -3.987  -1.184  16.663
  196    H    ILE  90           HN       ILE  90  -1.137   1.591   8.446
  197    HA   ILE  90           HA       ILE  90  -1.559  -0.617   6.841
  198    HB   ILE  90           HB       ILE  90   0.960  -0.072   8.418
  199   1HG1  ILE  90          2HG1      ILE  90   0.222   1.913   7.178
  200   2HG1  ILE  90          3HG1      ILE  90   1.687   1.246   6.489
  201   1HG2  ILE  90          1HG2      ILE  90   1.092  -1.145   5.690
  202   2HG2  ILE  90          2HG2      ILE  90   2.011  -1.585   7.132
  203   3HG2  ILE  90          3HG2      ILE  90   0.390  -2.234   6.887
  204   1HD1  ILE  90          1HD1      ILE  90  -0.472   0.045   5.143
  205   2HD1  ILE  90          2HD1      ILE  90  -0.811   1.773   5.235
  206   3HD1  ILE  90          3HD1      ILE  90   0.697   1.208   4.516
  207    H    LEU  91           HN       LEU  91  -2.433  -2.440   7.333
  208    HA   LEU  91           HA       LEU  91  -2.347  -3.588   9.976
  209   1HB   LEU  91          2HB       LEU  91  -3.339  -4.862   7.428
  210   2HB   LEU  91          3HB       LEU  91  -3.817  -5.243   9.071
  211    HG   LEU  91           HG       LEU  91  -4.428  -2.676   7.608
  212   1HD1  LEU  91          1HD1      LEU  91  -5.999  -5.161   8.056
  213   2HD1  LEU  91          2HD1      LEU  91  -6.825  -3.601   7.989
  214   3HD1  LEU  91          3HD1      LEU  91  -5.859  -4.149   6.618
  215   1HD2  LEU  91          1HD2      LEU  91  -4.435  -3.316  10.401
  216   2HD2  LEU  91          2HD2      LEU  91  -4.819  -1.790   9.605
  217   3HD2  LEU  91          3HD2      LEU  91  -6.082  -2.994   9.858
  218    H    GLU  92           HN       GLU  92  -1.153  -4.307   6.758
  219    HA   GLU  92           HA       GLU  92   1.148  -5.671   7.874
  220   1HB   GLU  92          2HB       GLU  92  -1.037  -7.096   6.680
  221   2HB   GLU  92          3HB       GLU  92   0.389  -7.253   5.660
  222   1HG   GLU  92          2HG       GLU  92   1.174  -8.799   7.023
  223   2HG   GLU  92          3HG       GLU  92   1.256  -7.588   8.306
  224    H    GLN  93           HN       GLN  93   2.952  -5.653   6.464
  225    HA   GLN  93           HA       GLN  93   2.564  -4.095   4.019
  226   1HB   GLN  93          2HB       GLN  93   4.939  -3.154   4.754
  227   2HB   GLN  93          3HB       GLN  93   3.433  -2.393   5.230
  228   1HG   GLN  93          2HG       GLN  93   3.500  -3.719   7.304
  229   2HG   GLN  93          3HG       GLN  93   5.076  -4.293   6.812
  230   1HE2  GLN  93          1HE2      GLN  93   6.208  -2.025   5.790
  231   2HE2  GLN  93          2HE2      GLN  93   6.413  -0.854   7.043
  232    H    SER  94           HN       SER  94   2.859  -6.899   4.189
  233    HA   SER  94           HA       SER  94   5.597  -7.460   3.418
  234   1HB   SER  94          2HB       SER  94   5.051  -9.427   4.321
  235   2HB   SER  94          3HB       SER  94   3.345  -9.001   4.376
  236    HG   SER  94           HG       SER  94   3.300 -10.618   2.981
  237    H    GLY  95           HN       GLY  95   6.312  -7.646   1.390
  238   1HA   GLY  95          1HA       GLY  95   6.269  -7.850  -0.924
  239   2HA   GLY  95          2HA       GLY  95   4.561  -8.226  -0.813
  240    H    GLU  96           HN       GLU  96   5.566  -6.733  -2.827
  241    HA   GLU  96           HA       GLU  96   5.700  -4.006  -2.639
  242   1HB   GLU  96          2HB       GLU  96   6.091  -4.621  -4.771
  243   2HB   GLU  96          3HB       GLU  96   4.946  -5.955  -4.694
  244   1HG   GLU  96          2HG       GLU  96   3.131  -4.513  -5.029
  245   2HG   GLU  96          3HG       GLU  96   4.157  -3.086  -4.919
  246    H    TRP  97           HN       TRP  97   2.928  -5.982  -2.053
  247    HA   TRP  97           HA       TRP  97   1.212  -3.594  -2.080
  248   1HB   TRP  97          2HB       TRP  97   0.616  -6.515  -2.461
  249   2HB   TRP  97          3HB       TRP  97  -0.649  -5.375  -2.019
  250    HD1  TRP  97           1HD      TRP  97   1.702  -6.258  -4.913
  251    HE1  TRP  97           1HE      TRP  97   0.835  -5.124  -7.054
  252    HE3  TRP  97           3HE      TRP  97  -2.043  -3.440  -2.879
  253    HZ2  TRP  97           2HZ      TRP  97  -1.171  -3.273  -7.782
  254    HZ3  TRP  97           3HZ      TRP  97  -3.385  -2.012  -4.358
  255    HH2  TRP  97           2HH      TRP  97  -2.956  -1.929  -6.760
  256    H    TRP  98           HN       TRP  98   0.760  -2.752  -0.155
  257    HA   TRP  98           HA       TRP  98   1.074  -4.419   2.230
  258   1HB   TRP  98          2HB       TRP  98   1.008  -1.429   1.872
  259   2HB   TRP  98          3HB       TRP  98   1.042  -2.225   3.436
  260    HD1  TRP  98           1HD      TRP  98   3.161  -4.290   1.364
  261    HE1  TRP  98           1HE      TRP  98   5.647  -3.687   1.659
  262    HE3  TRP  98           3HE      TRP  98   2.596   0.201   3.670
  263    HZ2  TRP  98           2HZ      TRP  98   7.168  -1.544   2.730
  264    HZ3  TRP  98           3HZ      TRP  98   4.601   1.488   4.299
  265    HH2  TRP  98           2HH      TRP  98   6.844   0.627   3.840
  266    H    LYS  99           HN       LYS  99  -0.488  -4.680   3.740
  267    HA   LYS  99           HA       LYS  99  -3.216  -4.116   2.915
  268   1HB   LYS  99          2HB       LYS  99  -2.716  -6.342   3.804
  269   2HB   LYS  99          3HB       LYS  99  -2.100  -5.630   5.285
  270   1HG   LYS  99          2HG       LYS  99  -4.487  -6.627   5.245
  271   2HG   LYS  99          3HG       LYS  99  -4.199  -5.092   6.067
  272   1HD   LYS  99          2HD       LYS  99  -5.150  -3.853   4.363
  273   2HD   LYS  99          3HD       LYS  99  -5.046  -5.178   3.202
  274   1HE   LYS  99          2HE       LYS  99  -6.609  -6.010   5.447
  275   2HE   LYS  99          3HE       LYS  99  -7.220  -4.467   4.855
  276   1HZ   LYS  99          1HZ       LYS  99  -6.848  -5.837   2.573
  277   2HZ   LYS  99          2HZ       LYS  99  -8.321  -5.736   3.400
  278   3HZ   LYS  99          3HZ       LYS  99  -7.314  -7.075   3.628
  279    H    ALA 100           HN       ALA 100  -4.081  -2.198   3.460
  280    HA   ALA 100           HA       ALA 100  -3.257  -1.014   6.032
  281   1HB   ALA 100          1HB       ALA 100  -3.077   1.060   5.131
  282   2HB   ALA 100          2HB       ALA 100  -2.671   0.110   3.700
  283   3HB   ALA 100          3HB       ALA 100  -4.303   0.758   3.896
  284    H    GLN 101           HN       GLN 101  -4.786  -0.118   7.343
  285    HA   GLN 101           HA       GLN 101  -7.570  -0.621   6.538
  286   1HB   GLN 101          2HB       GLN 101  -7.047  -1.890   8.507
  287   2HB   GLN 101          3HB       GLN 101  -6.313  -0.504   9.289
  288   1HG   GLN 101          2HG       GLN 101  -8.599   0.550   9.104
  289   2HG   GLN 101          3HG       GLN 101  -9.210  -1.044   8.737
  290   1HE2  GLN 101          1HE2      GLN 101  -7.670   0.956  11.150
  291   2HE2  GLN 101          2HE2      GLN 101  -8.045  -0.044  12.506
  292    H    SER 102           HN       SER 102  -8.460   1.175   5.829
  293    HA   SER 102           HA       SER 102  -7.509   3.734   6.065
  294   1HB   SER 102          2HB       SER 102  -9.919   2.428   5.172
  295   2HB   SER 102          3HB       SER 102 -10.287   3.946   5.950
  296    HG   SER 102           HG       SER 102  -9.586   4.922   4.244
  297    H    LEU 103           HN       LEU 103  -8.596   5.579   7.233
  298    HA   LEU 103           HA       LEU 103  -9.313   4.724   9.960
  299   1HB   LEU 103          2HB       LEU 103  -7.426   6.867   9.071
  300   2HB   LEU 103          3HB       LEU 103  -8.129   6.856  10.674
  301    HG   LEU 103           HG       LEU 103  -7.215   4.304  10.509
  302   1HD1  LEU 103          1HD1      LEU 103  -4.862   4.571   9.620
  303   2HD1  LEU 103          2HD1      LEU 103  -6.164   4.460   8.434
  304   3HD1  LEU 103          3HD1      LEU 103  -5.450   6.026   8.816
  305   1HD2  LEU 103          1HD2      LEU 103  -6.824   6.194  12.238
  306   2HD2  LEU 103          2HD2      LEU 103  -5.655   4.875  12.103
  307   3HD2  LEU 103          3HD2      LEU 103  -5.312   6.442  11.363
  308    H    THR 104           HN       THR 104  -9.983   6.833   7.323
  309    HA   THR 104           HA       THR 104 -11.781   8.516   8.835
  310    HB   THR 104           HB       THR 104 -11.709   8.328   5.840
  311    HG1  THR 104           1HG      THR 104  -9.565   8.486   6.278
  312   1HG2  THR 104          1HG2      THR 104 -11.833  10.835   6.143
  313   2HG2  THR 104          2HG2      THR 104 -12.203  10.487   7.833
  314   3HG2  THR 104          3HG2      THR 104 -13.263   9.889   6.554
  315    H    THR 105           HN       THR 105 -11.847   5.887   6.570
  316    HA   THR 105           HA       THR 105 -14.744   5.499   6.909
  317    HB   THR 105           HB       THR 105 -14.789   4.697   4.780
  318    HG1  THR 105           1HG      THR 105 -12.057   4.008   4.926
  319   1HG2  THR 105          1HG2      THR 105 -13.950   6.947   4.506
  320   2HG2  THR 105          2HG2      THR 105 -13.289   5.882   3.264
  321   3HG2  THR 105          3HG2      THR 105 -12.296   6.349   4.647
  322    H    GLY 106           HN       GLY 106 -11.614   4.099   6.987
  323   1HA   GLY 106          1HA       GLY 106 -10.723   2.434   8.217
  324   2HA   GLY 106          2HA       GLY 106 -12.307   2.039   8.822
  325    H    GLN 107           HN       GLN 107 -12.605   2.185   5.543
  326    HA   GLN 107           HA       GLN 107 -13.080  -0.462   5.129
  327   1HB   GLN 107          2HB       GLN 107 -12.409   1.827   3.403
  328   2HB   GLN 107          3HB       GLN 107 -12.429   0.230   2.680
  329   1HG   GLN 107          2HG       GLN 107 -14.607   0.567   2.420
  330   2HG   GLN 107          3HG       GLN 107 -14.704   0.233   4.148
  331   1HE2  GLN 107          1HE2      GLN 107 -14.018   2.932   1.946
  332   2HE2  GLN 107          2HE2      GLN 107 -14.909   4.111   2.840
  333    H    GLU 108           HN       GLU 108 -11.887  -2.190   5.084
  334    HA   GLU 108           HA       GLU 108  -8.988  -1.924   5.049
  335   1HB   GLU 108          2HB       GLU 108 -10.755  -4.302   5.597
  336   2HB   GLU 108          3HB       GLU 108  -9.008  -4.319   5.688
  337   1HG   GLU 108          2HG       GLU 108  -9.041  -3.519   7.736
  338   2HG   GLU 108          3HG       GLU 108 -10.055  -2.163   7.255
  339    H    GLY 109           HN       GLY 109  -7.615  -2.971   3.643
  340   1HA   GLY 109          1HA       GLY 109  -8.263  -4.788   1.656
  341   2HA   GLY 109          2HA       GLY 109  -8.508  -3.196   0.957
  342    H    PHE 110           HN       PHE 110  -6.721  -4.478  -0.360
  343    HA   PHE 110           HA       PHE 110  -4.075  -4.127   0.774
  344   1HB   PHE 110          2HB       PHE 110  -5.269  -5.615  -1.468
  345   2HB   PHE 110          3HB       PHE 110  -3.676  -4.956  -1.787
  346    HD1  PHE 110           1HD      PHE 110  -5.210  -6.423   1.274
  347    HD2  PHE 110           2HD      PHE 110  -2.133  -6.662  -1.659
  348    HE1  PHE 110           1HE      PHE 110  -4.200  -8.310   2.490
  349    HE2  PHE 110           2HE      PHE 110  -1.120  -8.549  -0.448
  350    HZ   PHE 110           HZ       PHE 110  -2.153  -9.375   1.628
  351    H    ILE 111           HN       ILE 111  -2.592  -2.632   0.099
  352    HA   ILE 111           HA       ILE 111  -3.422  -0.771  -2.023
  353    HB   ILE 111           HB       ILE 111  -2.590   1.129  -0.719
  354   1HG1  ILE 111          2HG1      ILE 111  -2.522  -0.553   1.756
  355   2HG1  ILE 111          3HG1      ILE 111  -1.131  -0.551   0.685
  356   1HG2  ILE 111          1HG2      ILE 111  -4.994   0.240  -0.634
  357   2HG2  ILE 111          2HG2      ILE 111  -4.592  -0.274   1.006
  358   3HG2  ILE 111          3HG2      ILE 111  -4.494   1.432   0.563
  359   1HD1  ILE 111          1HD1      ILE 111  -2.157   1.571   2.447
  360   2HD1  ILE 111          2HD1      ILE 111  -0.500   1.125   2.037
  361   3HD1  ILE 111          3HD1      ILE 111  -1.464   2.073   0.905
  362    HA   PRO 112           HA       PRO 112   0.580  -1.233  -3.755
  363   1HB   PRO 112          2HB       PRO 112   0.883   1.410  -4.589
  364   2HB   PRO 112          3HB       PRO 112   0.091   0.129  -5.509
  365   1HG   PRO 112          2HG       PRO 112  -1.115   2.261  -3.824
  366   2HG   PRO 112          3HG       PRO 112  -1.712   1.535  -5.316
  367   1HD   PRO 112          2HD       PRO 112  -2.723   0.911  -2.913
  368   2HD   PRO 112          3HD       PRO 112  -2.615  -0.268  -4.227
  369    H    PHE 113           HN       PHE 113   2.304  -1.430  -2.431
  370    HA   PHE 113           HA       PHE 113   2.776   0.077  -0.151
  371   1HB   PHE 113          2HB       PHE 113   4.755  -1.119   0.105
  372   2HB   PHE 113          3HB       PHE 113   3.770  -2.196  -0.881
  373    HD1  PHE 113           1HD      PHE 113   6.923  -1.735  -0.464
  374    HD2  PHE 113           2HD      PHE 113   4.113  -0.890  -3.545
  375    HE1  PHE 113           1HE      PHE 113   8.730  -1.825  -2.130
  376    HE2  PHE 113           2HE      PHE 113   5.914  -0.977  -5.217
  377    HZ   PHE 113           HZ       PHE 113   8.227  -1.446  -4.511
  378    H    ASN 114           HN       ASN 114   3.433   0.924  -3.421
  379    HA   ASN 114           HA       ASN 114   5.297   3.028  -2.582
  380   1HB   ASN 114          2HB       ASN 114   5.572   3.324  -5.102
  381   2HB   ASN 114          3HB       ASN 114   6.191   1.828  -4.413
  382   1HD2  ASN 114          1HD2      ASN 114   4.313   3.169  -6.809
  383   2HD2  ASN 114          2HD2      ASN 114   3.483   1.746  -7.329
  384    H    PHE 115           HN       PHE 115   2.496   3.190  -1.962
  385    HA   PHE 115           HA       PHE 115   1.720   5.523  -3.596
  386   1HB   PHE 115          2HB       PHE 115   0.335   3.147  -3.240
  387   2HB   PHE 115          3HB       PHE 115  -0.445   4.248  -2.120
  388    HD1  PHE 115           1HD      PHE 115  -1.294   6.472  -3.046
  389    HD2  PHE 115           2HD      PHE 115  -0.175   3.182  -5.499
  390    HE1  PHE 115           1HE      PHE 115  -2.653   7.376  -4.877
  391    HE2  PHE 115           2HE      PHE 115  -1.532   4.083  -7.333
  392    HZ   PHE 115           HZ       PHE 115  -2.772   6.188  -7.031
  393    H    VAL 116           HN       VAL 116   2.010   4.145  -0.391
  394    HA   VAL 116           HA       VAL 116   1.098   6.686   0.770
  395    HB   VAL 116           HB       VAL 116   0.752   5.428   2.858
  396   1HG1  VAL 116          1HG1      VAL 116  -1.211   5.671   1.695
  397   2HG1  VAL 116          2HG1      VAL 116  -0.650   4.696   0.336
  398   3HG1  VAL 116          3HG1      VAL 116  -1.111   3.918   1.850
  399   1HG2  VAL 116          1HG2      VAL 116   1.978   3.540   3.038
  400   2HG2  VAL 116          2HG2      VAL 116   0.614   2.798   2.202
  401   3HG2  VAL 116          3HG2      VAL 116   2.039   3.297   1.293
  402    H    ALA 117           HN       ALA 117   2.181   7.679   2.412
  403    HA   ALA 117           HA       ALA 117   4.872   6.732   3.090
  404   1HB   ALA 117          1HB       ALA 117   5.861   8.865   2.714
  405   2HB   ALA 117          2HB       ALA 117   4.962   8.459   1.252
  406   3HB   ALA 117          3HB       ALA 117   4.293   9.611   2.406
  407    H    LYS 118           HN       LYS 118   5.480   7.199   5.200
  408    HA   LYS 118           HA       LYS 118   3.707   7.283   7.215
  409   1HB   LYS 118          2HB       LYS 118   6.409   8.634   7.181
  410   2HB   LYS 118          3HB       LYS 118   5.487   8.299   8.639
  411   1HG   LYS 118          2HG       LYS 118   6.727   6.332   6.739
  412   2HG   LYS 118          3HG       LYS 118   7.086   6.579   8.450
  413   1HD   LYS 118          2HD       LYS 118   4.827   5.799   9.018
  414   2HD   LYS 118          3HD       LYS 118   4.504   5.521   7.308
  415   1HE   LYS 118          2HE       LYS 118   5.120   3.412   7.983
  416   2HE   LYS 118          3HE       LYS 118   6.670   4.059   7.445
  417   1HZ   LYS 118          1HZ       LYS 118   6.702   4.805   9.988
  418   2HZ   LYS 118          2HZ       LYS 118   7.313   3.319   9.459
  419   3HZ   LYS 118          3HZ       LYS 118   5.762   3.405  10.129
  420    H    ALA 119           HN       ALA 119   2.487   8.697   8.345
  421    HA   ALA 119           HA       ALA 119   1.775  11.171   7.132
  422   1HB   ALA 119          1HB       ALA 119  -0.032  10.316   8.254
  423   2HB   ALA 119          2HB       ALA 119   0.945   9.723   9.602
  424   3HB   ALA 119          3HB       ALA 119   0.571  11.441   9.469
  425    H    ASN 120           HN       ASN 120   4.360  11.560   7.371
  426    HA   ASN 120           HA       ASN 120   4.548  13.803   9.157
  427   1HB   ASN 120          2HB       ASN 120   5.752  11.225   9.871
  428   2HB   ASN 120          3HB       ASN 120   6.894  12.566   9.892
  429   1HD2  ASN 120          1HD2      ASN 120   5.882  11.007  12.106
  430   2HD2  ASN 120          2HD2      ASN 120   5.111  12.120  13.179
  Start of MODEL    6
    1    H    ASN  64           HN       ASN  64   0.958   2.829  12.867
    2    HA   ASN  64           HA       ASN  64   3.317   2.348  11.393
    3   1HB   ASN  64          2HB       ASN  64   1.404   0.064  11.681
    4   2HB   ASN  64          3HB       ASN  64   2.146   0.338  10.111
    5   1HD2  ASN  64          1HD2      ASN  64   2.551  -1.970  11.579
    6   2HD2  ASN  64          2HD2      ASN  64   4.206  -2.038  12.066
    7    H    LEU  65           HN       LEU  65   1.096   4.215  11.681
    8    HA   LEU  65           HA       LEU  65  -0.520   3.905   9.341
    9   1HB   LEU  65          2HB       LEU  65  -1.580   4.969  11.117
   10   2HB   LEU  65          3HB       LEU  65  -0.265   6.085  11.378
   11    HG   LEU  65           HG       LEU  65  -0.808   7.172   9.264
   12   1HD1  LEU  65          1HD1      LEU  65  -3.404   6.210   8.773
   13   2HD1  LEU  65          2HD1      LEU  65  -1.986   6.107   7.730
   14   3HD1  LEU  65          3HD1      LEU  65  -2.334   4.813   8.876
   15   1HD2  LEU  65          1HD2      LEU  65  -2.959   8.178   9.967
   16   2HD2  LEU  65          2HD2      LEU  65  -3.108   6.918  11.192
   17   3HD2  LEU  65          3HD2      LEU  65  -1.783   8.078  11.278
   18    H    VAL  66           HN       VAL  66  -0.489   4.965   7.521
   19    HA   VAL  66           HA       VAL  66   1.843   6.648   6.892
   20    HB   VAL  66           HB       VAL  66   1.542   5.697   4.559
   21   1HG1  VAL  66          1HG1      VAL  66   2.843   3.600   5.188
   22   2HG1  VAL  66          2HG1      VAL  66   3.509   5.147   5.713
   23   3HG1  VAL  66          3HG1      VAL  66   2.640   4.128   6.860
   24   1HG2  VAL  66          1HG2      VAL  66  -0.574   4.615   4.786
   25   2HG2  VAL  66          2HG2      VAL  66   0.647   3.376   4.503
   26   3HG2  VAL  66          3HG2      VAL  66   0.019   3.639   6.129
   27    H    ILE  67           HN       ILE  67   1.357   7.564   4.522
   28    HA   ILE  67           HA       ILE  67  -1.380   8.467   4.296
   29    HB   ILE  67           HB       ILE  67   0.705  10.159   5.372
   30   1HG1  ILE  67          2HG1      ILE  67  -2.248  10.375   4.873
   31   2HG1  ILE  67          3HG1      ILE  67  -1.447   9.955   6.359
   32   1HG2  ILE  67          1HG2      ILE  67  -0.656  11.130   2.858
   33   2HG2  ILE  67          2HG2      ILE  67   0.175  12.171   4.013
   34   3HG2  ILE  67          3HG2      ILE  67   1.079  10.947   3.122
   35   1HD1  ILE  67          1HD1      ILE  67  -1.443  12.072   6.989
   36   2HD1  ILE  67          2HD1      ILE  67  -0.575  12.537   5.526
   37   3HD1  ILE  67          3HD1      ILE  67  -2.338  12.471   5.522
   38    H    ALA  68           HN       ALA  68  -2.006   8.420   2.294
   39    HA   ALA  68           HA       ALA  68  -0.357   7.590   0.192
   40   1HB   ALA  68          1HB       ALA  68  -2.287   7.257  -0.851
   41   2HB   ALA  68          2HB       ALA  68  -3.083   7.897   0.588
   42   3HB   ALA  68          3HB       ALA  68  -2.710   8.967  -0.765
   43    H    LEU  69           HN       LEU  69   0.338   8.615  -1.689
   44    HA   LEU  69           HA       LEU  69   0.671  11.536  -1.469
   45   1HB   LEU  69          2HB       LEU  69   2.544   9.432  -2.538
   46   2HB   LEU  69          3HB       LEU  69   2.777  11.150  -2.815
   47    HG   LEU  69           HG       LEU  69   2.738   9.807  -0.108
   48   1HD1  LEU  69          1HD1      LEU  69   5.178  10.730  -0.202
   49   2HD1  LEU  69          2HD1      LEU  69   4.792   9.188  -0.964
   50   3HD1  LEU  69          3HD1      LEU  69   4.943  10.646  -1.947
   51   1HD2  LEU  69          1HD2      LEU  69   1.887  12.057   0.040
   52   2HD2  LEU  69          2HD2      LEU  69   3.525  12.016   0.690
   53   3HD2  LEU  69          3HD2      LEU  69   3.232  12.668  -0.922
   54    H    HIS  70           HN       HIS  70  -1.178   9.468  -2.996
   55    HA   HIS  70           HA       HIS  70  -1.593  11.121  -5.275
   56   1HB   HIS  70          2HB       HIS  70  -1.191   8.651  -6.577
   57   2HB   HIS  70          3HB       HIS  70  -0.258  10.127  -6.776
   58    HD1  HIS  70           1HD      HIS  70   2.007   9.043  -7.063
   59    HD2  HIS  70           2HD      HIS  70   0.084   7.837  -3.589
   60    HE1  HIS  70           1HE      HIS  70   3.735   7.789  -5.745
   61    HE2  HIS  70           2HE      HIS  70   2.599   7.238  -3.569
   62    H    SER  71           HN       SER  71  -3.595  10.766  -6.202
   63    HA   SER  71           HA       SER  71  -5.544   9.457  -4.692
   64   1HB   SER  71          2HB       SER  71  -6.066   9.766  -7.597
   65   2HB   SER  71          3HB       SER  71  -7.042  10.267  -6.218
   66    HG   SER  71           HG       SER  71  -6.049  12.004  -7.460
   67    H    TYR  72           HN       TYR  72  -6.079   7.382  -4.499
   68    HA   TYR  72           HA       TYR  72  -4.969   5.495  -6.462
   69   1HB   TYR  72          2HB       TYR  72  -4.366   5.223  -4.036
   70   2HB   TYR  72          3HB       TYR  72  -6.048   4.829  -3.729
   71    HD1  TYR  72           1HD      TYR  72  -6.193   2.579  -3.240
   72    HD2  TYR  72           2HD      TYR  72  -3.721   3.811  -6.473
   73    HE1  TYR  72           1HE      TYR  72  -5.768   0.227  -3.805
   74    HE2  TYR  72           2HE      TYR  72  -3.298   1.462  -7.051
   75    HH   TYR  72           HH       TYR  72  -4.884  -0.881  -6.482
   76    H    GLU  73           HN       GLU  73  -6.149   3.866  -7.369
   77    HA   GLU  73           HA       GLU  73  -9.030   3.818  -6.949
   78   1HB   GLU  73          2HB       GLU  73  -7.709   4.867  -9.220
   79   2HB   GLU  73          3HB       GLU  73  -8.541   3.403  -9.700
   80   1HG   GLU  73          2HG       GLU  73 -10.629   4.259  -9.023
   81   2HG   GLU  73          3HG       GLU  73  -9.867   5.587  -8.145
   82    HA   PRO  74           HA       PRO  74  -7.459  -0.415  -6.212
   83   1HB   PRO  74          2HB       PRO  74 -10.270  -1.085  -6.177
   84   2HB   PRO  74          3HB       PRO  74  -9.123  -1.051  -4.838
   85   1HG   PRO  74          2HG       PRO  74 -11.065   0.988  -5.682
   86   2HG   PRO  74          3HG       PRO  74 -10.281   0.760  -4.111
   87   1HD   PRO  74          2HD       PRO  74  -9.640   2.814  -5.753
   88   2HD   PRO  74          3HD       PRO  74  -8.432   2.014  -4.720
   89    H    SER  75           HN       SER  75  -6.892  -1.800  -7.728
   90    HA   SER  75           HA       SER  75  -8.661  -2.192 -10.049
   91   1HB   SER  75          2HB       SER  75  -6.149  -1.005 -10.133
   92   2HB   SER  75          3HB       SER  75  -5.843  -2.668 -10.631
   93    HG   SER  75           HG       SER  75  -7.574  -0.766 -11.800
   94    H    HIS  76           HN       HIS  76  -6.170  -3.573  -7.952
   95    HA   HIS  76           HA       HIS  76  -6.494  -6.224  -9.028
   96   1HB   HIS  76          2HB       HIS  76  -4.796  -4.940  -6.958
   97   2HB   HIS  76          3HB       HIS  76  -5.146  -6.650  -6.731
   98    HD1  HIS  76           1HD      HIS  76  -2.942  -4.387  -8.521
   99    HD2  HIS  76           2HD      HIS  76  -4.320  -8.273  -9.034
  100    HE1  HIS  76           1HE      HIS  76  -1.367  -5.447 -10.171
  101    HE2  HIS  76           2HE      HIS  76  -2.269  -7.772 -10.527
  102    H    ASP  77           HN       ASP  77  -6.894  -8.058  -7.396
  103    HA   ASP  77           HA       ASP  77  -9.514  -7.655  -6.297
  104   1HB   ASP  77          2HB       ASP  77  -8.052  -9.845  -7.248
  105   2HB   ASP  77          3HB       ASP  77  -8.287 -10.169  -5.533
  106    H    GLY  78           HN       GLY  78 -10.130  -7.486  -4.199
  107   1HA   GLY  78          1HA       GLY  78  -9.967  -7.201  -1.923
  108   2HA   GLY  78          2HA       GLY  78  -8.524  -8.198  -1.982
  109    H    ASP  79           HN       ASP  79  -9.042  -5.114  -3.636
  110    HA   ASP  79           HA       ASP  79  -6.746  -4.051  -2.147
  111   1HB   ASP  79          2HB       ASP  79  -7.933  -3.239  -4.800
  112   2HB   ASP  79          3HB       ASP  79  -6.635  -2.363  -3.997
  113    H    LEU  80           HN       LEU  80  -6.772  -1.880  -1.423
  114    HA   LEU  80           HA       LEU  80  -9.468  -0.908  -0.764
  115   1HB   LEU  80          2HB       LEU  80  -8.531  -1.312   1.296
  116   2HB   LEU  80          3HB       LEU  80  -6.902  -1.002   0.739
  117    HG   LEU  80           HG       LEU  80  -7.495   1.445   0.692
  118   1HD1  LEU  80          1HD1      LEU  80  -9.728   1.788   0.746
  119   2HD1  LEU  80          2HD1      LEU  80 -10.041   0.315   1.663
  120   3HD1  LEU  80          3HD1      LEU  80  -9.463   1.764   2.491
  121   1HD2  LEU  80          1HD2      LEU  80  -7.602  -0.029   3.316
  122   2HD2  LEU  80          2HD2      LEU  80  -6.155   0.528   2.473
  123   3HD2  LEU  80          3HD2      LEU  80  -7.293   1.698   3.142
  124    H    GLY  81           HN       GLY  81 -10.056   1.098  -1.394
  125   1HA   GLY  81          1HA       GLY  81  -8.104   2.601  -2.975
  126   2HA   GLY  81          2HA       GLY  81  -9.842   2.812  -3.033
  127    H    PHE  82           HN       PHE  82  -7.568   4.696  -2.613
  128    HA   PHE  82           HA       PHE  82  -8.760   6.120  -0.379
  129   1HB   PHE  82          2HB       PHE  82  -6.315   6.670   0.366
  130   2HB   PHE  82          3HB       PHE  82  -7.083   5.185   0.905
  131    HD1  PHE  82           1HD      PHE  82  -4.206   6.569  -0.550
  132    HD2  PHE  82           2HD      PHE  82  -6.654   3.093  -0.624
  133    HE1  PHE  82           1HE      PHE  82  -2.326   5.269  -1.482
  134    HE2  PHE  82           2HE      PHE  82  -4.789   1.796  -1.560
  135    HZ   PHE  82           HZ       PHE  82  -2.623   2.881  -1.984
  136    H    GLU  83           HN       GLU  83  -7.511   8.319  -0.154
  137    HA   GLU  83           HA       GLU  83  -7.249   9.372  -2.890
  138   1HB   GLU  83          2HB       GLU  83  -8.640  10.276  -0.500
  139   2HB   GLU  83          3HB       GLU  83  -7.610  11.525  -1.179
  140   1HG   GLU  83          2HG       GLU  83  -8.893  10.470  -3.380
  141   2HG   GLU  83          3HG       GLU  83 -10.132  10.470  -2.126
  142    H    LYS  84           HN       LYS  84  -5.897  11.490  -2.897
  143    HA   LYS  84           HA       LYS  84  -3.264  10.798  -2.036
  144   1HB   LYS  84          2HB       LYS  84  -3.301  11.998  -4.036
  145   2HB   LYS  84          3HB       LYS  84  -4.484  13.148  -3.441
  146   1HG   LYS  84          2HG       LYS  84  -2.548  13.825  -1.803
  147   2HG   LYS  84          3HG       LYS  84  -1.533  13.068  -3.029
  148   1HD   LYS  84          2HD       LYS  84  -3.587  14.941  -4.012
  149   2HD   LYS  84          3HD       LYS  84  -2.267  15.656  -3.085
  150   1HE   LYS  84          2HE       LYS  84  -1.001  13.886  -4.796
  151   2HE   LYS  84          3HE       LYS  84  -2.281  14.586  -5.785
  152   1HZ   LYS  84          1HZ       LYS  84   0.104  15.720  -5.409
  153   2HZ   LYS  84          2HZ       LYS  84  -0.780  16.476  -4.182
  154   3HZ   LYS  84          3HZ       LYS  84  -1.298  16.588  -5.788
  155    H    GLY  85           HN       GLY  85  -2.273  11.304  -0.192
  156   1HA   GLY  85          1HA       GLY  85  -1.769  12.517   1.749
  157   2HA   GLY  85          2HA       GLY  85  -3.153  13.561   1.425
  158    H    GLU  86           HN       GLU  86  -4.629  10.836   0.978
  159    HA   GLU  86           HA       GLU  86  -6.015  10.727   3.372
  160   1HB   GLU  86          2HB       GLU  86  -6.277   9.542   0.945
  161   2HB   GLU  86          3HB       GLU  86  -5.698   8.185   1.892
  162   1HG   GLU  86          2HG       GLU  86  -8.309   9.099   1.627
  163   2HG   GLU  86          3HG       GLU  86  -7.714   7.829   2.674
  164    H    GLN  87           HN       GLN  87  -6.083   8.818   4.863
  165    HA   GLN  87           HA       GLN  87  -3.360   7.838   5.380
  166   1HB   GLN  87          2HB       GLN  87  -5.327   8.398   7.576
  167   2HB   GLN  87          3HB       GLN  87  -3.597   8.136   7.700
  168   1HG   GLN  87          2HG       GLN  87  -3.098  10.267   7.260
  169   2HG   GLN  87          3HG       GLN  87  -4.361  10.418   6.042
  170   1HE2  GLN  87          1HE2      GLN  87  -4.674   9.467   9.422
  171   2HE2  GLN  87          2HE2      GLN  87  -5.678  10.792   9.891
  172    H    LEU  88           HN       LEU  88  -3.115   5.832   6.161
  173    HA   LEU  88           HA       LEU  88  -5.430   4.104   6.557
  174   1HB   LEU  88          2HB       LEU  88  -3.314   2.987   4.814
  175   2HB   LEU  88          3HB       LEU  88  -5.027   2.629   4.867
  176    HG   LEU  88           HG       LEU  88  -4.441   5.316   3.870
  177   1HD1  LEU  88          1HD1      LEU  88  -3.809   3.226   1.892
  178   2HD1  LEU  88          2HD1      LEU  88  -3.182   4.867   2.055
  179   3HD1  LEU  88          3HD1      LEU  88  -2.562   3.579   3.091
  180   1HD2  LEU  88          1HD2      LEU  88  -5.927   3.023   2.619
  181   2HD2  LEU  88          2HD2      LEU  88  -6.632   4.088   3.842
  182   3HD2  LEU  88          3HD2      LEU  88  -6.115   4.750   2.289
  183    H    ARG  89           HN       ARG  89  -5.079   2.774   8.182
  184    HA   ARG  89           HA       ARG  89  -2.495   2.713   9.424
  185   1HB   ARG  89          2HB       ARG  89  -4.330   2.843  10.910
  186   2HB   ARG  89          3HB       ARG  89  -5.181   1.533  10.102
  187   1HG   ARG  89          2HG       ARG  89  -3.588  -0.054  10.900
  188   2HG   ARG  89          3HG       ARG  89  -2.601   1.229  11.585
  189   1HD   ARG  89          2HD       ARG  89  -4.716   1.842  12.905
  190   2HD   ARG  89          3HD       ARG  89  -5.267   0.227  12.494
  191    HE   ARG  89           HE       ARG  89  -2.635   0.376  13.684
  192   1HH1  ARG  89          2HH1      ARG  89  -6.057  -0.031  14.250
  193   2HH1  ARG  89          1HH1      ARG  89  -5.836  -0.826  15.772
  194   1HH2  ARG  89          2HH2      ARG  89  -2.346  -0.667  15.688
  195   2HH2  ARG  89          1HH2      ARG  89  -3.731  -1.186  16.589
  196    H    ILE  90           HN       ILE  90  -1.049   1.541   8.392
  197    HA   ILE  90           HA       ILE  90  -1.519  -0.636   6.731
  198    HB   ILE  90           HB       ILE  90   1.048  -0.111   8.229
  199   1HG1  ILE  90          2HG1      ILE  90   0.184   1.897   7.057
  200   2HG1  ILE  90          3HG1      ILE  90   1.697   1.324   6.393
  201   1HG2  ILE  90          1HG2      ILE  90   2.029  -1.628   6.911
  202   2HG2  ILE  90          2HG2      ILE  90   0.392  -2.206   6.595
  203   3HG2  ILE  90          3HG2      ILE  90   1.159  -1.073   5.479
  204   1HD1  ILE  90          1HD1      ILE  90  -0.729   1.830   5.058
  205   2HD1  ILE  90          2HD1      ILE  90   0.780   1.212   4.388
  206   3HD1  ILE  90          3HD1      ILE  90  -0.442   0.091   4.985
  207    H    LEU  91           HN       LEU  91  -2.379  -2.457   7.232
  208    HA   LEU  91           HA       LEU  91  -2.205  -3.639   9.854
  209   1HB   LEU  91          2HB       LEU  91  -3.273  -4.890   7.329
  210   2HB   LEU  91          3HB       LEU  91  -3.702  -5.283   8.983
  211    HG   LEU  91           HG       LEU  91  -4.358  -2.709   7.549
  212   1HD1  LEU  91          1HD1      LEU  91  -5.888  -5.209   7.996
  213   2HD1  LEU  91          2HD1      LEU  91  -6.745  -3.665   8.041
  214   3HD1  LEU  91          3HD1      LEU  91  -5.844  -4.134   6.599
  215   1HD2  LEU  91          1HD2      LEU  91  -4.520  -1.875   9.613
  216   2HD2  LEU  91          2HD2      LEU  91  -5.968  -2.871   9.769
  217   3HD2  LEU  91          3HD2      LEU  91  -4.418  -3.469  10.360
  218    H    GLU  92           HN       GLU  92  -1.136  -4.356   6.585
  219    HA   GLU  92           HA       GLU  92   1.147  -5.811   7.651
  220   1HB   GLU  92          2HB       GLU  92  -1.068  -7.097   6.409
  221   2HB   GLU  92          3HB       GLU  92   0.308  -7.196   5.317
  222   1HG   GLU  92          2HG       GLU  92   1.113  -8.863   6.515
  223   2HG   GLU  92          3HG       GLU  92   1.290  -7.752   7.877
  224    H    GLN  93           HN       GLN  93   2.986  -5.500   6.505
  225    HA   GLN  93           HA       GLN  93   2.739  -3.969   4.023
  226   1HB   GLN  93          2HB       GLN  93   5.040  -3.011   4.888
  227   2HB   GLN  93          3HB       GLN  93   3.508  -2.301   5.366
  228   1HG   GLN  93          2HG       GLN  93   3.568  -3.791   7.360
  229   2HG   GLN  93          3HG       GLN  93   5.198  -4.200   6.883
  230   1HE2  GLN  93          1HE2      GLN  93   6.343  -1.929   6.162
  231   2HE2  GLN  93          2HE2      GLN  93   6.351  -0.778   7.450
  232    H    SER  94           HN       SER  94   3.006  -6.769   4.224
  233    HA   SER  94           HA       SER  94   5.778  -7.289   3.457
  234   1HB   SER  94          2HB       SER  94   4.272  -9.657   3.240
  235   2HB   SER  94          3HB       SER  94   5.400  -9.227   4.524
  236    HG   SER  94           HG       SER  94   3.712  -8.399   5.708
  237    H    GLY  95           HN       GLY  95   6.346  -7.295   1.389
  238   1HA   GLY  95          1HA       GLY  95   6.159  -7.890  -0.887
  239   2HA   GLY  95          2HA       GLY  95   4.449  -8.188  -0.639
  240    H    GLU  96           HN       GLU  96   5.544  -6.815  -2.796
  241    HA   GLU  96           HA       GLU  96   5.670  -4.081  -2.724
  242   1HB   GLU  96          2HB       GLU  96   6.110  -4.796  -4.819
  243   2HB   GLU  96          3HB       GLU  96   4.944  -6.108  -4.719
  244   1HG   GLU  96          2HG       GLU  96   3.158  -4.652  -5.154
  245   2HG   GLU  96          3HG       GLU  96   4.201  -3.238  -5.068
  246    H    TRP  97           HN       TRP  97   2.896  -6.043  -2.115
  247    HA   TRP  97           HA       TRP  97   1.182  -3.656  -2.238
  248   1HB   TRP  97          2HB       TRP  97   0.605  -6.574  -2.641
  249   2HB   TRP  97          3HB       TRP  97  -0.680  -5.460  -2.185
  250    HD1  TRP  97           1HD      TRP  97   1.668  -6.292  -5.090
  251    HE1  TRP  97           1HE      TRP  97   0.818  -5.101  -7.207
  252    HE3  TRP  97           3HE      TRP  97  -2.044  -3.473  -2.999
  253    HZ2  TRP  97           2HZ      TRP  97  -1.164  -3.208  -7.896
  254    HZ3  TRP  97           3HZ      TRP  97  -3.365  -1.998  -4.447
  255    HH2  TRP  97           2HH      TRP  97  -2.931  -1.862  -6.847
  256    H    TRP  98           HN       TRP  98   0.945  -2.758  -0.303
  257    HA   TRP  98           HA       TRP  98   1.120  -4.397   2.100
  258   1HB   TRP  98          2HB       TRP  98   1.106  -1.418   1.662
  259   2HB   TRP  98          3HB       TRP  98   1.040  -2.149   3.256
  260    HD1  TRP  98           1HD      TRP  98   3.225  -4.276   1.265
  261    HE1  TRP  98           1HE      TRP  98   5.703  -3.728   1.708
  262    HE3  TRP  98           3HE      TRP  98   2.625   0.179   3.638
  263    HZ2  TRP  98           2HZ      TRP  98   7.204  -1.642   2.904
  264    HZ3  TRP  98           3HZ      TRP  98   4.617   1.410   4.399
  265    HH2  TRP  98           2HH      TRP  98   6.863   0.512   4.042
  266    H    LYS  99           HN       LYS  99  -0.455  -4.654   3.582
  267    HA   LYS  99           HA       LYS  99  -3.178  -4.078   2.745
  268   1HB   LYS  99          2HB       LYS  99  -2.730  -6.311   3.599
  269   2HB   LYS  99          3HB       LYS  99  -2.039  -5.645   5.068
  270   1HG   LYS  99          2HG       LYS  99  -4.442  -6.592   5.108
  271   2HG   LYS  99          3HG       LYS  99  -4.091  -5.079   5.947
  272   1HD   LYS  99          2HD       LYS  99  -5.110  -3.792   4.340
  273   2HD   LYS  99          3HD       LYS  99  -5.038  -5.064   3.118
  274   1HE   LYS  99          2HE       LYS  99  -6.534  -5.985   5.379
  275   2HE   LYS  99          3HE       LYS  99  -7.168  -4.430   4.850
  276   1HZ   LYS  99          1HZ       LYS  99  -8.288  -5.628   3.359
  277   2HZ   LYS  99          2HZ       LYS  99  -7.324  -7.000   3.576
  278   3HZ   LYS  99          3HZ       LYS  99  -6.821  -5.773   2.527
  279    H    ALA 100           HN       ALA 100  -4.036  -2.158   3.313
  280    HA   ALA 100           HA       ALA 100  -3.211  -1.016   5.903
  281   1HB   ALA 100          1HB       ALA 100  -3.017   1.069   5.037
  282   2HB   ALA 100          2HB       ALA 100  -2.623   0.144   3.586
  283   3HB   ALA 100          3HB       ALA 100  -4.250   0.799   3.802
  284    H    GLN 101           HN       GLN 101  -4.733  -0.144   7.227
  285    HA   GLN 101           HA       GLN 101  -7.520  -0.625   6.424
  286   1HB   GLN 101          2HB       GLN 101  -7.000  -1.918   8.374
  287   2HB   GLN 101          3HB       GLN 101  -6.248  -0.549   9.169
  288   1HG   GLN 101          2HG       GLN 101  -8.525   0.528   9.016
  289   2HG   GLN 101          3HG       GLN 101  -9.154  -1.056   8.632
  290   1HE2  GLN 101          1HE2      GLN 101  -7.566   0.894  11.058
  291   2HE2  GLN 101          2HE2      GLN 101  -7.942  -0.119  12.405
  292    H    SER 102           HN       SER 102  -8.406   1.181   5.740
  293    HA   SER 102           HA       SER 102  -7.453   3.733   5.996
  294   1HB   SER 102          2HB       SER 102  -9.871   2.437   5.112
  295   2HB   SER 102          3HB       SER 102 -10.230   3.952   5.897
  296    HG   SER 102           HG       SER 102  -9.598   4.890   4.144
  297    H    LEU 103           HN       LEU 103  -8.563   5.567   7.182
  298    HA   LEU 103           HA       LEU 103  -9.266   4.687   9.904
  299   1HB   LEU 103          2HB       LEU 103  -7.374   6.838   9.038
  300   2HB   LEU 103          3HB       LEU 103  -8.079   6.808  10.641
  301    HG   LEU 103           HG       LEU 103  -7.163   4.251  10.425
  302   1HD1  LEU 103          1HD1      LEU 103  -5.388   6.024   8.798
  303   2HD1  LEU 103          2HD1      LEU 103  -4.795   4.558   9.579
  304   3HD1  LEU 103          3HD1      LEU 103  -6.080   4.459   8.375
  305   1HD2  LEU 103          1HD2      LEU 103  -6.804   6.104  12.206
  306   2HD2  LEU 103          2HD2      LEU 103  -5.639   4.783  12.062
  307   3HD2  LEU 103          3HD2      LEU 103  -5.276   6.365  11.363
  308    H    THR 104           HN       THR 104  -9.921   6.819   7.283
  309    HA   THR 104           HA       THR 104 -11.723   8.496   8.793
  310    HB   THR 104           HB       THR 104 -11.653   8.309   5.799
  311    HG1  THR 104           1HG      THR 104  -9.772   9.744   7.359
  312   1HG2  THR 104          1HG2      THR 104 -13.201   9.873   6.508
  313   2HG2  THR 104          2HG2      THR 104 -11.765  10.820   6.110
  314   3HG2  THR 104          3HG2      THR 104 -12.148  10.462   7.794
  315    H    THR 105           HN       THR 105 -11.786   5.883   6.508
  316    HA   THR 105           HA       THR 105 -14.681   5.480   6.847
  317    HB   THR 105           HB       THR 105 -14.717   4.677   4.719
  318    HG1  THR 105           1HG      THR 105 -11.989   3.976   4.865
  319   1HG2  THR 105          1HG2      THR 105 -13.192   5.840   3.205
  320   2HG2  THR 105          2HG2      THR 105 -12.219   6.322   4.596
  321   3HG2  THR 105          3HG2      THR 105 -13.872   6.916   4.427
  322    H    GLY 106           HN       GLY 106 -11.546   4.098   6.951
  323   1HA   GLY 106          1HA       GLY 106 -10.647   2.433   8.172
  324   2HA   GLY 106          2HA       GLY 106 -12.227   2.049   8.798
  325    H    GLN 107           HN       GLN 107 -12.557   2.166   5.522
  326    HA   GLN 107           HA       GLN 107 -13.040  -0.486   5.139
  327   1HB   GLN 107          2HB       GLN 107 -12.399   1.792   3.390
  328   2HB   GLN 107          3HB       GLN 107 -12.416   0.190   2.676
  329   1HG   GLN 107          2HG       GLN 107 -14.600   0.495   2.448
  330   2HG   GLN 107          3HG       GLN 107 -14.673   0.198   4.182
  331   1HE2  GLN 107          1HE2      GLN 107 -15.934   1.595   5.158
  332   2HE2  GLN 107          2HE2      GLN 107 -16.092   3.272   4.781
  333    H    GLU 108           HN       GLU 108 -11.837  -2.204   5.139
  334    HA   GLU 108           HA       GLU 108  -8.946  -1.949   5.076
  335   1HB   GLU 108          2HB       GLU 108 -10.671  -4.375   5.543
  336   2HB   GLU 108          3HB       GLU 108  -8.935  -4.309   5.736
  337   1HG   GLU 108          2HG       GLU 108  -9.117  -3.514   7.777
  338   2HG   GLU 108          3HG       GLU 108 -10.194  -2.224   7.253
  339    H    GLY 109           HN       GLY 109  -7.569  -2.929   3.632
  340   1HA   GLY 109          1HA       GLY 109  -8.216  -4.734   1.624
  341   2HA   GLY 109          2HA       GLY 109  -8.483  -3.134   0.954
  342    H    PHE 110           HN       PHE 110  -6.688  -4.467  -0.359
  343    HA   PHE 110           HA       PHE 110  -4.033  -4.125   0.717
  344   1HB   PHE 110          2HB       PHE 110  -5.277  -5.451  -1.608
  345   2HB   PHE 110          3HB       PHE 110  -3.670  -4.808  -1.882
  346    HD1  PHE 110           1HD      PHE 110  -2.254  -6.639  -1.952
  347    HD2  PHE 110           2HD      PHE 110  -5.147  -6.355   1.158
  348    HE1  PHE 110           1HE      PHE 110  -1.282  -8.625  -0.873
  349    HE2  PHE 110           2HE      PHE 110  -4.179  -8.341   2.242
  350    HZ   PHE 110           HZ       PHE 110  -2.244  -9.478   1.227
  351    H    ILE 111           HN       ILE 111  -2.418  -2.776  -0.240
  352    HA   ILE 111           HA       ILE 111  -3.328  -0.764  -2.145
  353    HB   ILE 111           HB       ILE 111  -2.625   1.119  -0.782
  354   1HG1  ILE 111          2HG1      ILE 111  -2.410  -0.571   1.666
  355   2HG1  ILE 111          3HG1      ILE 111  -1.046  -0.541   0.559
  356   1HG2  ILE 111          1HG2      ILE 111  -4.473  -0.462   0.964
  357   2HG2  ILE 111          2HG2      ILE 111  -4.507   1.257   0.568
  358   3HG2  ILE 111          3HG2      ILE 111  -4.967   0.064  -0.646
  359   1HD1  ILE 111          1HD1      ILE 111  -0.441   1.149   1.922
  360   2HD1  ILE 111          2HD1      ILE 111  -1.406   2.065   0.762
  361   3HD1  ILE 111          3HD1      ILE 111  -2.107   1.586   2.307
  362    HA   PRO 112           HA       PRO 112   0.676  -1.126  -3.895
  363   1HB   PRO 112          2HB       PRO 112   0.959   1.611  -4.502
  364   2HB   PRO 112          3HB       PRO 112   0.301   0.365  -5.561
  365   1HG   PRO 112          2HG       PRO 112  -1.118   2.349  -3.889
  366   2HG   PRO 112          3HG       PRO 112  -1.609   1.599  -5.404
  367   1HD   PRO 112          2HD       PRO 112  -2.672   0.911  -3.027
  368   2HD   PRO 112          3HD       PRO 112  -2.485  -0.237  -4.361
  369    H    PHE 113           HN       PHE 113   2.303  -1.482  -2.477
  370    HA   PHE 113           HA       PHE 113   2.812  -0.123  -0.137
  371   1HB   PHE 113          2HB       PHE 113   4.782  -1.353   0.044
  372   2HB   PHE 113          3HB       PHE 113   3.784  -2.353  -1.005
  373    HD1  PHE 113           1HD      PHE 113   6.963  -1.820  -0.542
  374    HD2  PHE 113           2HD      PHE 113   4.118  -1.029  -3.605
  375    HE1  PHE 113           1HE      PHE 113   8.767  -1.828  -2.215
  376    HE2  PHE 113           2HE      PHE 113   5.915  -1.034  -5.283
  377    HZ   PHE 113           HZ       PHE 113   8.244  -1.435  -4.590
  378    H    ASN 114           HN       ASN 114   3.615   0.855  -3.357
  379    HA   ASN 114           HA       ASN 114   5.424   2.925  -2.341
  380   1HB   ASN 114          2HB       ASN 114   5.843   3.305  -4.832
  381   2HB   ASN 114          3HB       ASN 114   6.425   1.789  -4.153
  382   1HD2  ASN 114          1HD2      ASN 114   6.410   1.187  -6.449
  383   2HD2  ASN 114          2HD2      ASN 114   4.949   0.558  -7.122
  384    H    PHE 115           HN       PHE 115   2.558   3.065  -1.914
  385    HA   PHE 115           HA       PHE 115   1.929   5.454  -3.525
  386   1HB   PHE 115          2HB       PHE 115   0.450   3.082  -3.210
  387   2HB   PHE 115          3HB       PHE 115  -0.397   4.305  -2.278
  388    HD1  PHE 115           1HD      PHE 115  -2.237   4.925  -3.472
  389    HD2  PHE 115           2HD      PHE 115   1.488   4.545  -5.484
  390    HE1  PHE 115           1HE      PHE 115  -3.262   5.803  -5.515
  391    HE2  PHE 115           2HE      PHE 115   0.469   5.428  -7.543
  392    HZ   PHE 115           HZ       PHE 115  -1.912   6.060  -7.562
  393    H    VAL 116           HN       VAL 116   2.416   4.219  -0.351
  394    HA   VAL 116           HA       VAL 116   1.276   6.697   0.759
  395    HB   VAL 116           HB       VAL 116   0.957   5.430   2.883
  396   1HG1  VAL 116          1HG1      VAL 116  -0.692   5.736   0.801
  397   2HG1  VAL 116          2HG1      VAL 116  -0.659   3.974   0.893
  398   3HG1  VAL 116          3HG1      VAL 116  -1.159   4.922   2.294
  399   1HG2  VAL 116          1HG2      VAL 116   1.758   3.131   1.119
  400   2HG2  VAL 116          2HG2      VAL 116   2.408   3.579   2.697
  401   3HG2  VAL 116          3HG2      VAL 116   0.782   2.908   2.569
  402    H    ALA 117           HN       ALA 117   2.271   7.698   2.470
  403    HA   ALA 117           HA       ALA 117   4.971   6.830   3.209
  404   1HB   ALA 117          1HB       ALA 117   5.624   8.399   1.652
  405   2HB   ALA 117          2HB       ALA 117   4.201   9.408   1.913
  406   3HB   ALA 117          3HB       ALA 117   5.506   9.400   3.099
  407    H    LYS 118           HN       LYS 118   5.495   7.284   5.337
  408    HA   LYS 118           HA       LYS 118   3.654   7.372   7.291
  409   1HB   LYS 118          2HB       LYS 118   6.351   8.733   7.373
  410   2HB   LYS 118          3HB       LYS 118   5.376   8.362   8.787
  411   1HG   LYS 118          2HG       LYS 118   6.690   6.435   6.895
  412   2HG   LYS 118          3HG       LYS 118   7.010   6.667   8.616
  413   1HD   LYS 118          2HD       LYS 118   4.744   5.866   9.125
  414   2HD   LYS 118          3HD       LYS 118   4.463   5.599   7.404
  415   1HE   LYS 118          2HE       LYS 118   5.074   3.531   8.613
  416   2HE   LYS 118          3HE       LYS 118   6.214   3.940   7.331
  417   1HZ   LYS 118          1HZ       LYS 118   7.321   3.239   9.381
  418   2HZ   LYS 118          2HZ       LYS 118   6.614   4.529  10.215
  419   3HZ   LYS 118          3HZ       LYS 118   7.719   4.831   8.971
  420    H    ALA 119           HN       ALA 119   2.433   8.795   8.422
  421    HA   ALA 119           HA       ALA 119   1.742  11.264   7.177
  422   1HB   ALA 119          1HB       ALA 119   0.857   9.826   9.634
  423   2HB   ALA 119          2HB       ALA 119   0.485  11.541   9.485
  424   3HB   ALA 119          3HB       ALA 119  -0.089  10.411   8.260
  425    H    ASN 120           HN       ASN 120   4.330  11.634   7.483
  426    HA   ASN 120           HA       ASN 120   4.583  13.451   9.790
  427   1HB   ASN 120          2HB       ASN 120   6.824  11.962   8.408
  428   2HB   ASN 120          3HB       ASN 120   6.968  12.991   9.830
  429   1HD2  ASN 120          1HD2      ASN 120   7.275   9.987   9.091
  430   2HD2  ASN 120          2HD2      ASN 120   6.531   9.193  10.433
  Start of MODEL    7
    1    H    ASN  64           HN       ASN  64   1.249   2.809  12.837
    2    HA   ASN  64           HA       ASN  64   3.434   2.131  11.149
    3   1HB   ASN  64          2HB       ASN  64   1.357   0.037  11.705
    4   2HB   ASN  64          3HB       ASN  64   2.061   0.156  10.099
    5   1HD2  ASN  64          1HD2      ASN  64   2.273  -2.034  11.907
    6   2HD2  ASN  64          2HD2      ASN  64   3.951  -2.243  12.260
    7    H    LEU  65           HN       LEU  65   1.287   4.133  11.596
    8    HA   LEU  65           HA       LEU  65  -0.454   3.825   9.333
    9   1HB   LEU  65          2HB       LEU  65  -1.444   4.890  11.150
   10   2HB   LEU  65          3HB       LEU  65  -0.111   5.993  11.372
   11    HG   LEU  65           HG       LEU  65  -0.720   7.096   9.283
   12   1HD1  LEU  65          1HD1      LEU  65  -1.957   6.040   7.788
   13   2HD1  LEU  65          2HD1      LEU  65  -2.298   4.756   8.951
   14   3HD1  LEU  65          3HD1      LEU  65  -3.340   6.176   8.876
   15   1HD2  LEU  65          1HD2      LEU  65  -2.810   8.139  10.072
   16   2HD2  LEU  65          2HD2      LEU  65  -2.970   6.856  11.271
   17   3HD2  LEU  65          3HD2      LEU  65  -1.613   7.979  11.357
   18    H    VAL  66           HN       VAL  66  -0.477   4.902   7.518
   19    HA   VAL  66           HA       VAL  66   1.857   6.559   6.827
   20    HB   VAL  66           HB       VAL  66   1.467   5.626   4.498
   21   1HG1  VAL  66          1HG1      VAL  66   3.462   5.067   5.627
   22   2HG1  VAL  66          2HG1      VAL  66   2.609   3.995   6.738
   23   3HG1  VAL  66          3HG1      VAL  66   2.792   3.544   5.043
   24   1HG2  VAL  66          1HG2      VAL  66  -0.638   4.557   4.757
   25   2HG2  VAL  66          2HG2      VAL  66   0.561   3.292   4.490
   26   3HG2  VAL  66          3HG2      VAL  66  -0.047   3.602   6.116
   27    H    ILE  67           HN       ILE  67   1.324   7.487   4.476
   28    HA   ILE  67           HA       ILE  67  -1.398   8.433   4.301
   29    HB   ILE  67           HB       ILE  67   0.711  10.083   5.385
   30   1HG1  ILE  67          2HG1      ILE  67  -2.235  10.351   4.884
   31   2HG1  ILE  67          3HG1      ILE  67  -1.441   9.908   6.367
   32   1HG2  ILE  67          1HG2      ILE  67  -0.622  11.101   2.875
   33   2HG2  ILE  67          2HG2      ILE  67   0.216  12.118   4.044
   34   3HG2  ILE  67          3HG2      ILE  67   1.108  10.890   3.146
   35   1HD1  ILE  67          1HD1      ILE  67  -2.303  12.439   5.557
   36   2HD1  ILE  67          2HD1      ILE  67  -1.396  12.021   7.012
   37   3HD1  ILE  67          3HD1      ILE  67  -0.539  12.487   5.542
   38    H    ALA  68           HN       ALA  68  -2.042   8.401   2.299
   39    HA   ALA  68           HA       ALA  68  -0.423   7.570   0.179
   40   1HB   ALA  68          1HB       ALA  68  -3.152   7.975   0.598
   41   2HB   ALA  68          2HB       ALA  68  -2.734   8.974  -0.796
   42   3HB   ALA  68          3HB       ALA  68  -2.378   7.246  -0.810
   43    H    LEU  69           HN       LEU  69   0.219   8.608  -1.735
   44    HA   LEU  69           HA       LEU  69   0.624  11.518  -1.484
   45   1HB   LEU  69          2HB       LEU  69   2.464   9.398  -2.582
   46   2HB   LEU  69          3HB       LEU  69   2.726  11.118  -2.819
   47    HG   LEU  69           HG       LEU  69   2.647   9.726  -0.137
   48   1HD1  LEU  69          1HD1      LEU  69   4.886  10.526  -1.955
   49   2HD1  LEU  69          2HD1      LEU  69   5.115  10.572  -0.208
   50   3HD1  LEU  69          3HD1      LEU  69   4.686   9.056  -0.999
   51   1HD2  LEU  69          1HD2      LEU  69   3.214  12.583  -0.916
   52   2HD2  LEU  69          2HD2      LEU  69   1.869  11.991   0.057
   53   3HD2  LEU  69          3HD2      LEU  69   3.516  11.904   0.682
   54    H    HIS  70           HN       HIS  70  -1.220   9.438  -3.043
   55    HA   HIS  70           HA       HIS  70  -1.629  11.123  -5.305
   56   1HB   HIS  70          2HB       HIS  70  -1.226   8.646  -6.609
   57   2HB   HIS  70          3HB       HIS  70  -0.309  10.131  -6.819
   58    HD1  HIS  70           1HD      HIS  70   1.977   9.106  -7.093
   59    HD2  HIS  70           2HD      HIS  70   0.059   7.823  -3.643
   60    HE1  HIS  70           1HE      HIS  70   3.721   7.865  -5.781
   61    HE2  HIS  70           2HE      HIS  70   2.582   7.263  -3.620
   62    H    SER  71           HN       SER  71  -3.626  10.772  -6.257
   63    HA   SER  71           HA       SER  71  -5.590   9.472  -4.760
   64   1HB   SER  71          2HB       SER  71  -6.088   9.763  -7.670
   65   2HB   SER  71          3HB       SER  71  -7.073  10.274  -6.301
   66    HG   SER  71           HG       SER  71  -5.374  11.920  -5.983
   67    H    TYR  72           HN       TYR  72  -6.093   7.396  -4.545
   68    HA   TYR  72           HA       TYR  72  -4.968   5.503  -6.488
   69   1HB   TYR  72          2HB       TYR  72  -4.404   5.243  -4.054
   70   2HB   TYR  72          3HB       TYR  72  -6.092   4.853  -3.769
   71    HD1  TYR  72           1HD      TYR  72  -3.732   3.814  -6.476
   72    HD2  TYR  72           2HD      TYR  72  -6.243   2.608  -3.263
   73    HE1  TYR  72           1HE      TYR  72  -3.304   1.460  -7.031
   74    HE2  TYR  72           2HE      TYR  72  -5.809   0.252  -3.803
   75    HH   TYR  72           HH       TYR  72  -5.128  -1.089  -5.736
   76    H    GLU  73           HN       GLU  73  -6.123   3.863  -7.400
   77    HA   GLU  73           HA       GLU  73  -9.012   3.805  -7.040
   78   1HB   GLU  73          2HB       GLU  73  -7.647   4.840  -9.293
   79   2HB   GLU  73          3HB       GLU  73  -8.467   3.370  -9.776
   80   1HG   GLU  73          2HG       GLU  73 -10.571   4.229  -9.122
   81   2HG   GLU  73          3HG       GLU  73  -9.816   5.585  -8.281
   82    HA   PRO  74           HA       PRO  74  -7.434  -0.411  -6.224
   83   1HB   PRO  74          2HB       PRO  74 -10.245  -1.091  -6.271
   84   2HB   PRO  74          3HB       PRO  74  -9.136  -1.054  -4.901
   85   1HG   PRO  74          2HG       PRO  74 -11.058   0.980  -5.795
   86   2HG   PRO  74          3HG       PRO  74 -10.306   0.761  -4.207
   87   1HD   PRO  74          2HD       PRO  74  -9.635   2.810  -5.845
   88   2HD   PRO  74          3HD       PRO  74  -8.448   2.017  -4.781
   89    H    SER  75           HN       SER  75  -6.890  -1.909  -7.646
   90    HA   SER  75           HA       SER  75  -8.555  -2.296 -10.039
   91   1HB   SER  75          2HB       SER  75  -5.534  -2.390 -10.081
   92   2HB   SER  75          3HB       SER  75  -6.636  -2.402 -11.459
   93    HG   SER  75           HG       SER  75  -6.030  -0.335 -11.358
   94    H    HIS  76           HN       HIS  76  -6.054  -3.653  -7.920
   95    HA   HIS  76           HA       HIS  76  -6.436  -6.323  -8.932
   96   1HB   HIS  76          2HB       HIS  76  -4.678  -5.025  -6.918
   97   2HB   HIS  76          3HB       HIS  76  -5.030  -6.731  -6.674
   98    HD1  HIS  76           1HD      HIS  76  -4.239  -8.374  -8.588
   99    HD2  HIS  76           2HD      HIS  76  -2.880  -4.463  -8.928
  100    HE1  HIS  76           1HE      HIS  76  -2.359  -8.459 -10.255
  101    HE2  HIS  76           2HE      HIS  76  -1.492  -6.096 -10.376
  102    H    ASP  77           HN       ASP  77  -7.126  -8.126  -7.605
  103    HA   ASP  77           HA       ASP  77  -9.592  -7.628  -6.317
  104   1HB   ASP  77          2HB       ASP  77  -9.076  -9.733  -7.504
  105   2HB   ASP  77          3HB       ASP  77  -7.899 -10.136  -6.257
  106    H    GLY  78           HN       GLY  78 -10.070  -7.191  -4.259
  107   1HA   GLY  78          1HA       GLY  78  -9.879  -7.147  -1.949
  108   2HA   GLY  78          2HA       GLY  78  -8.398  -8.080  -2.088
  109    H    ASP  79           HN       ASP  79  -8.885  -5.080  -3.827
  110    HA   ASP  79           HA       ASP  79  -6.663  -3.929  -2.315
  111   1HB   ASP  79          2HB       ASP  79  -7.942  -3.159  -4.939
  112   2HB   ASP  79          3HB       ASP  79  -6.700  -2.191  -4.149
  113    H    LEU  80           HN       LEU  80  -6.739  -1.720  -1.625
  114    HA   LEU  80           HA       LEU  80  -9.453  -0.848  -0.890
  115   1HB   LEU  80          2HB       LEU  80  -8.545  -1.257   1.167
  116   2HB   LEU  80          3HB       LEU  80  -6.904  -0.995   0.619
  117    HG   LEU  80           HG       LEU  80  -7.563   1.507   0.553
  118   1HD1  LEU  80          1HD1      LEU  80  -9.258   1.751   2.603
  119   2HD1  LEU  80          2HD1      LEU  80  -9.787   1.738   0.920
  120   3HD1  LEU  80          3HD1      LEU  80  -9.892   0.267   1.888
  121   1HD2  LEU  80          1HD2      LEU  80  -7.359   1.402   3.228
  122   2HD2  LEU  80          2HD2      LEU  80  -6.840  -0.231   2.814
  123   3HD2  LEU  80          3HD2      LEU  80  -5.997   1.159   2.135
  124    H    GLY  81           HN       GLY  81 -10.090   1.118  -1.554
  125   1HA   GLY  81          1HA       GLY  81  -8.171   2.708  -3.076
  126   2HA   GLY  81          2HA       GLY  81  -9.912   2.900  -3.102
  127    H    PHE  82           HN       PHE  82  -7.602   4.765  -2.634
  128    HA   PHE  82           HA       PHE  82  -8.800   6.142  -0.371
  129   1HB   PHE  82          2HB       PHE  82  -6.341   6.678   0.366
  130   2HB   PHE  82          3HB       PHE  82  -7.126   5.198   0.899
  131    HD1  PHE  82           1HD      PHE  82  -4.244   6.561  -0.586
  132    HD2  PHE  82           2HD      PHE  82  -6.726   3.108  -0.620
  133    HE1  PHE  82           1HE      PHE  82  -2.384   5.239  -1.527
  134    HE2  PHE  82           2HE      PHE  82  -4.880   1.789  -1.568
  135    HZ   PHE  82           HZ       PHE  82  -2.708   2.852  -2.016
  136    H    GLU  83           HN       GLU  83  -7.547   8.341  -0.099
  137    HA   GLU  83           HA       GLU  83  -7.319   9.457  -2.814
  138   1HB   GLU  83          2HB       GLU  83  -8.657  10.311  -0.377
  139   2HB   GLU  83          3HB       GLU  83  -7.623  11.568  -1.033
  140   1HG   GLU  83          2HG       GLU  83  -8.951  10.597  -3.245
  141   2HG   GLU  83          3HG       GLU  83 -10.171  10.571  -1.973
  142    H    LYS  84           HN       LYS  84  -5.944  11.544  -2.824
  143    HA   LYS  84           HA       LYS  84  -3.302  10.822  -2.003
  144   1HB   LYS  84          2HB       LYS  84  -3.323  12.018  -3.996
  145   2HB   LYS  84          3HB       LYS  84  -4.525  13.157  -3.421
  146   1HG   LYS  84          2HG       LYS  84  -2.599  13.863  -1.773
  147   2HG   LYS  84          3HG       LYS  84  -1.577  13.127  -3.005
  148   1HD   LYS  84          2HD       LYS  84  -3.680  15.146  -3.707
  149   2HD   LYS  84          3HD       LYS  84  -2.069  15.640  -3.184
  150   1HE   LYS  84          2HE       LYS  84  -1.254  13.991  -5.017
  151   2HE   LYS  84          3HE       LYS  84  -2.890  14.157  -5.650
  152   1HZ   LYS  84          1HZ       LYS  84  -1.270  16.543  -5.033
  153   2HZ   LYS  84          2HZ       LYS  84  -2.579  16.394  -6.093
  154   3HZ   LYS  84          3HZ       LYS  84  -1.079  15.732  -6.506
  155    H    GLY  85           HN       GLY  85  -2.314  11.281  -0.151
  156   1HA   GLY  85          1HA       GLY  85  -1.766  12.508   1.775
  157   2HA   GLY  85          2HA       GLY  85  -3.146  13.564   1.466
  158    H    GLU  86           HN       GLU  86  -4.649  10.858   1.029
  159    HA   GLU  86           HA       GLU  86  -6.021  10.749   3.428
  160   1HB   GLU  86          2HB       GLU  86  -6.293   9.562   1.002
  161   2HB   GLU  86          3HB       GLU  86  -5.715   8.205   1.947
  162   1HG   GLU  86          2HG       GLU  86  -8.324   9.121   1.691
  163   2HG   GLU  86          3HG       GLU  86  -7.726   7.855   2.739
  164    H    GLN  87           HN       GLN  87  -6.087   8.848   4.923
  165    HA   GLN  87           HA       GLN  87  -3.364   7.864   5.432
  166   1HB   GLN  87          2HB       GLN  87  -5.339   8.416   7.626
  167   2HB   GLN  87          3HB       GLN  87  -3.611   8.141   7.757
  168   1HG   GLN  87          2HG       GLN  87  -3.083  10.264   7.283
  169   2HG   GLN  87          3HG       GLN  87  -4.392  10.441   6.120
  170   1HE2  GLN  87          1HE2      GLN  87  -4.587   9.450   9.495
  171   2HE2  GLN  87          2HE2      GLN  87  -5.555  10.781  10.021
  172    H    LEU  88           HN       LEU  88  -3.117   5.857   6.226
  173    HA   LEU  88           HA       LEU  88  -5.433   4.124   6.588
  174   1HB   LEU  88          2HB       LEU  88  -3.302   3.022   4.853
  175   2HB   LEU  88          3HB       LEU  88  -5.012   2.655   4.895
  176    HG   LEU  88           HG       LEU  88  -4.428   5.352   3.914
  177   1HD1  LEU  88          1HD1      LEU  88  -2.554   3.610   3.126
  178   2HD1  LEU  88          2HD1      LEU  88  -3.800   3.272   1.924
  179   3HD1  LEU  88          3HD1      LEU  88  -3.168   4.910   2.100
  180   1HD2  LEU  88          1HD2      LEU  88  -6.628   4.196   3.864
  181   2HD2  LEU  88          2HD2      LEU  88  -6.076   4.749   2.281
  182   3HD2  LEU  88          3HD2      LEU  88  -5.940   3.041   2.715
  183    H    ARG  89           HN       ARG  89  -5.095   2.796   8.212
  184    HA   ARG  89           HA       ARG  89  -2.521   2.716   9.470
  185   1HB   ARG  89          2HB       ARG  89  -4.358   2.855  10.948
  186   2HB   ARG  89          3HB       ARG  89  -5.224   1.564  10.126
  187   1HG   ARG  89          2HG       ARG  89  -3.636  -0.049  10.914
  188   2HG   ARG  89          3HG       ARG  89  -2.671   1.223  11.646
  189   1HD   ARG  89          2HD       ARG  89  -4.796   1.811  12.939
  190   2HD   ARG  89          3HD       ARG  89  -5.370   0.224  12.459
  191    HE   ARG  89           HE       ARG  89  -2.767   0.292  13.725
  192   1HH1  ARG  89          2HH1      ARG  89  -6.208  -0.124  14.161
  193   2HH1  ARG  89          1HH1      ARG  89  -6.040  -0.989  15.651
  194   1HH2  ARG  89          2HH2      ARG  89  -2.549  -0.844  15.687
  195   2HH2  ARG  89          1HH2      ARG  89  -3.965  -1.398  16.518
  196    H    ILE  90           HN       ILE  90  -1.079   1.537   8.421
  197    HA   ILE  90           HA       ILE  90  -1.570  -0.643   6.770
  198    HB   ILE  90           HB       ILE  90   1.001  -0.108   8.260
  199   1HG1  ILE  90          2HG1      ILE  90   0.135   1.862   7.018
  200   2HG1  ILE  90          3HG1      ILE  90   1.659   1.272   6.390
  201   1HG2  ILE  90          1HG2      ILE  90   1.905  -1.762   7.083
  202   2HG2  ILE  90          2HG2      ILE  90   0.278  -2.201   6.565
  203   3HG2  ILE  90          3HG2      ILE  90   1.252  -1.113   5.577
  204   1HD1  ILE  90          1HD1      ILE  90  -0.406  -0.034   4.976
  205   2HD1  ILE  90          2HD1      ILE  90  -0.794   1.685   5.029
  206   3HD1  ILE  90          3HD1      ILE  90   0.756   1.151   4.380
  207    H    LEU  91           HN       LEU  91  -2.390  -2.482   7.244
  208    HA   LEU  91           HA       LEU  91  -2.268  -3.650   9.876
  209   1HB   LEU  91          2HB       LEU  91  -3.278  -4.871   7.307
  210   2HB   LEU  91          3HB       LEU  91  -3.698  -5.344   8.944
  211    HG   LEU  91           HG       LEU  91  -4.420  -2.731   7.618
  212   1HD1  LEU  91          1HD1      LEU  91  -6.778  -3.701   8.000
  213   2HD1  LEU  91          2HD1      LEU  91  -5.827  -4.234   6.612
  214   3HD1  LEU  91          3HD1      LEU  91  -5.941  -5.257   8.045
  215   1HD2  LEU  91          1HD2      LEU  91  -4.542  -3.664  10.398
  216   2HD2  LEU  91          2HD2      LEU  91  -4.506  -2.025   9.749
  217   3HD2  LEU  91          3HD2      LEU  91  -6.023  -2.924   9.791
  218    H    GLU  92           HN       GLU  92  -1.083  -4.335   6.639
  219    HA   GLU  92           HA       GLU  92   1.211  -5.708   7.758
  220   1HB   GLU  92          2HB       GLU  92  -0.962  -7.138   6.614
  221   2HB   GLU  92          3HB       GLU  92   0.401  -7.241   5.504
  222   1HG   GLU  92          2HG       GLU  92   1.292  -8.808   6.774
  223   2HG   GLU  92          3HG       GLU  92   1.444  -7.618   8.071
  224    H    GLN  93           HN       GLN  93   3.025  -5.306   6.649
  225    HA   GLN  93           HA       GLN  93   2.728  -3.904   4.092
  226   1HB   GLN  93          2HB       GLN  93   5.024  -2.895   4.878
  227   2HB   GLN  93          3HB       GLN  93   3.502  -2.214   5.420
  228   1HG   GLN  93          2HG       GLN  93   3.660  -3.624   7.428
  229   2HG   GLN  93          3HG       GLN  93   5.237  -4.128   6.873
  230   1HE2  GLN  93          1HE2      GLN  93   3.684  -0.955   6.893
  231   2HE2  GLN  93          2HE2      GLN  93   4.903  -0.167   7.829
  232    H    SER  94           HN       SER  94   3.014  -6.699   4.343
  233    HA   SER  94           HA       SER  94   5.779  -7.226   3.562
  234   1HB   SER  94          2HB       SER  94   4.281  -9.597   3.374
  235   2HB   SER  94          3HB       SER  94   5.399  -9.147   4.659
  236    HG   SER  94           HG       SER  94   2.608  -8.643   4.555
  237    H    GLY  95           HN       GLY  95   6.339  -7.244   1.493
  238   1HA   GLY  95          1HA       GLY  95   6.142  -7.868  -0.777
  239   2HA   GLY  95          2HA       GLY  95   4.431  -8.158  -0.519
  240    H    GLU  96           HN       GLU  96   5.507  -6.819  -2.698
  241    HA   GLU  96           HA       GLU  96   5.650  -4.084  -2.659
  242   1HB   GLU  96          2HB       GLU  96   6.075  -4.831  -4.747
  243   2HB   GLU  96          3HB       GLU  96   4.902  -6.133  -4.624
  244   1HG   GLU  96          2HG       GLU  96   3.122  -4.671  -5.067
  245   2HG   GLU  96          3HG       GLU  96   4.179  -3.263  -5.010
  246    H    TRP  97           HN       TRP  97   2.872  -6.028  -2.004
  247    HA   TRP  97           HA       TRP  97   1.166  -3.636  -2.143
  248   1HB   TRP  97          2HB       TRP  97   0.570  -6.555  -2.517
  249   2HB   TRP  97          3HB       TRP  97  -0.705  -5.425  -2.072
  250    HD1  TRP  97           1HD      TRP  97   1.638  -6.304  -4.967
  251    HE1  TRP  97           1HE      TRP  97   0.790  -5.138  -7.100
  252    HE3  TRP  97           3HE      TRP  97  -2.068  -3.449  -2.914
  253    HZ2  TRP  97           2HZ      TRP  97  -1.187  -3.251  -7.813
  254    HZ3  TRP  97           3HZ      TRP  97  -3.389  -1.991  -4.382
  255    HH2  TRP  97           2HH      TRP  97  -2.953  -1.891  -6.783
  256    H    TRP  98           HN       TRP  98   0.977  -2.723  -0.208
  257    HA   TRP  98           HA       TRP  98   1.146  -4.344   2.203
  258   1HB   TRP  98          2HB       TRP  98   1.119  -1.367   1.751
  259   2HB   TRP  98          3HB       TRP  98   1.084  -2.098   3.347
  260    HD1  TRP  98           1HD      TRP  98   3.250  -4.234   1.363
  261    HE1  TRP  98           1HE      TRP  98   5.731  -3.654   1.747
  262    HE3  TRP  98           3HE      TRP  98   2.655   0.270   3.637
  263    HZ2  TRP  98           2HZ      TRP  98   7.237  -1.525   2.861
  264    HZ3  TRP  98           3HZ      TRP  98   4.648   1.540   4.329
  265    HH2  TRP  98           2HH      TRP  98   6.896   0.652   3.953
  266    H    LYS  99           HN       LYS  99  -0.457  -4.709   3.605
  267    HA   LYS  99           HA       LYS  99  -3.167  -4.094   2.792
  268   1HB   LYS  99          2HB       LYS  99  -2.700  -6.321   3.673
  269   2HB   LYS  99          3HB       LYS  99  -2.057  -5.627   5.150
  270   1HG   LYS  99          2HG       LYS  99  -4.451  -6.597   5.142
  271   2HG   LYS  99          3HG       LYS  99  -4.138  -5.065   5.963
  272   1HD   LYS  99          2HD       LYS  99  -5.108  -3.816   4.278
  273   2HD   LYS  99          3HD       LYS  99  -5.023  -5.135   3.108
  274   1HE   LYS  99          2HE       LYS  99  -6.564  -5.977   5.363
  275   2HE   LYS  99          3HE       LYS  99  -7.174  -4.425   4.795
  276   1HZ   LYS  99          1HZ       LYS  99  -8.295  -5.660   3.330
  277   2HZ   LYS  99          2HZ       LYS  99  -7.315  -7.020   3.553
  278   3HZ   LYS  99          3HZ       LYS  99  -6.827  -5.791   2.499
  279    H    ALA 100           HN       ALA 100  -4.033  -2.174   3.341
  280    HA   ALA 100           HA       ALA 100  -3.221  -1.012   5.926
  281   1HB   ALA 100          1HB       ALA 100  -3.083   1.084   5.052
  282   2HB   ALA 100          2HB       ALA 100  -2.621   0.147   3.627
  283   3HB   ALA 100          3HB       ALA 100  -4.271   0.761   3.786
  284    H    GLN 101           HN       GLN 101  -4.749  -0.121   7.234
  285    HA   GLN 101           HA       GLN 101  -7.534  -0.616   6.428
  286   1HB   GLN 101          2HB       GLN 101  -7.005  -1.938   8.362
  287   2HB   GLN 101          3HB       GLN 101  -6.279  -0.570   9.182
  288   1HG   GLN 101          2HG       GLN 101  -8.564   0.481   9.020
  289   2HG   GLN 101          3HG       GLN 101  -9.172  -1.103   8.603
  290   1HE2  GLN 101          1HE2      GLN 101  -7.558   0.789  11.072
  291   2HE2  GLN 101          2HE2      GLN 101  -7.968  -0.235  12.401
  292    H    SER 102           HN       SER 102  -8.404   1.200   5.761
  293    HA   SER 102           HA       SER 102  -7.440   3.744   6.053
  294   1HB   SER 102          2HB       SER 102  -9.857   2.478   5.129
  295   2HB   SER 102          3HB       SER 102 -10.217   3.980   5.942
  296    HG   SER 102           HG       SER 102  -8.609   4.966   4.573
  297    H    LEU 103           HN       LEU 103  -8.573   5.572   7.234
  298    HA   LEU 103           HA       LEU 103  -9.273   4.686   9.954
  299   1HB   LEU 103          2HB       LEU 103  -7.390   6.842   9.086
  300   2HB   LEU 103          3HB       LEU 103  -8.093   6.813  10.689
  301    HG   LEU 103           HG       LEU 103  -7.171   4.258  10.475
  302   1HD1  LEU 103          1HD1      LEU 103  -4.809   4.560   9.627
  303   2HD1  LEU 103          2HD1      LEU 103  -6.092   4.483   8.418
  304   3HD1  LEU 103          3HD1      LEU 103  -5.389   6.038   8.859
  305   1HD2  LEU 103          1HD2      LEU 103  -5.662   4.795  12.120
  306   2HD2  LEU 103          2HD2      LEU 103  -5.282   6.369  11.412
  307   3HD2  LEU 103          3HD2      LEU 103  -6.816   6.126  12.250
  308    H    THR 104           HN       THR 104  -9.945   6.808   7.332
  309    HA   THR 104           HA       THR 104 -11.749   8.481   8.846
  310    HB   THR 104           HB       THR 104 -11.675   8.302   5.850
  311    HG1  THR 104           1HG      THR 104  -9.548   8.501   6.202
  312   1HG2  THR 104          1HG2      THR 104 -12.176  10.449   7.850
  313   2HG2  THR 104          2HG2      THR 104 -13.229   9.858   6.563
  314   3HG2  THR 104          3HG2      THR 104 -11.797  10.811   6.167
  315    H    THR 105           HN       THR 105 -11.805   5.866   6.564
  316    HA   THR 105           HA       THR 105 -14.698   5.458   6.908
  317    HB   THR 105           HB       THR 105 -14.743   4.665   4.774
  318    HG1  THR 105           1HG      THR 105 -12.006   3.997   4.905
  319   1HG2  THR 105          1HG2      THR 105 -13.255   5.867   3.261
  320   2HG2  THR 105          2HG2      THR 105 -12.263   6.335   4.643
  321   3HG2  THR 105          3HG2      THR 105 -13.922   6.921   4.509
  322    H    GLY 106           HN       GLY 106 -11.560   4.078   6.966
  323   1HA   GLY 106          1HA       GLY 106 -10.647   2.414   8.177
  324   2HA   GLY 106          2HA       GLY 106 -12.222   2.016   8.806
  325    H    GLN 107           HN       GLN 107 -12.545   2.155   5.523
  326    HA   GLN 107           HA       GLN 107 -13.028  -0.494   5.123
  327   1HB   GLN 107          2HB       GLN 107 -12.365   1.787   3.382
  328   2HB   GLN 107          3HB       GLN 107 -12.394   0.186   2.667
  329   1HG   GLN 107          2HG       GLN 107 -14.574   0.529   2.423
  330   2HG   GLN 107          3HG       GLN 107 -14.657   0.199   4.153
  331   1HE2  GLN 107          1HE2      GLN 107 -14.022   2.880   1.916
  332   2HE2  GLN 107          2HE2      GLN 107 -14.887   4.067   2.823
  333    H    GLU 108           HN       GLU 108 -11.835  -2.224   5.080
  334    HA   GLU 108           HA       GLU 108  -8.940  -1.970   5.041
  335   1HB   GLU 108          2HB       GLU 108 -10.664  -4.402   5.488
  336   2HB   GLU 108          3HB       GLU 108  -8.931  -4.324   5.701
  337   1HG   GLU 108          2HG       GLU 108  -9.139  -3.535   7.741
  338   2HG   GLU 108          3HG       GLU 108 -10.226  -2.256   7.211
  339    H    GLY 109           HN       GLY 109  -7.567  -2.929   3.584
  340   1HA   GLY 109          1HA       GLY 109  -8.219  -4.731   1.572
  341   2HA   GLY 109          2HA       GLY 109  -8.477  -3.125   0.909
  342    H    PHE 110           HN       PHE 110  -6.700  -4.400  -0.440
  343    HA   PHE 110           HA       PHE 110  -4.039  -4.089   0.651
  344   1HB   PHE 110          2HB       PHE 110  -5.283  -5.446  -1.649
  345   2HB   PHE 110          3HB       PHE 110  -3.690  -4.782  -1.957
  346    HD1  PHE 110           1HD      PHE 110  -5.064  -6.289   1.146
  347    HD2  PHE 110           2HD      PHE 110  -2.278  -6.622  -2.054
  348    HE1  PHE 110           1HE      PHE 110  -4.050  -8.248   2.237
  349    HE2  PHE 110           2HE      PHE 110  -1.259  -8.580  -0.969
  350    HZ   PHE 110           HZ       PHE 110  -2.145  -9.396   1.179
  351    H    ILE 111           HN       ILE 111  -2.469  -2.670  -0.158
  352    HA   ILE 111           HA       ILE 111  -3.347  -0.688  -2.125
  353    HB   ILE 111           HB       ILE 111  -2.638   1.190  -0.767
  354   1HG1  ILE 111          2HG1      ILE 111  -2.385  -0.478   1.689
  355   2HG1  ILE 111          3HG1      ILE 111  -1.045  -0.486   0.554
  356   1HG2  ILE 111          1HG2      ILE 111  -4.503   1.330   0.593
  357   2HG2  ILE 111          2HG2      ILE 111  -4.973   0.103  -0.583
  358   3HG2  ILE 111          3HG2      ILE 111  -4.443  -0.378   1.029
  359   1HD1  ILE 111          1HD1      ILE 111  -1.595   2.181   0.811
  360   2HD1  ILE 111          2HD1      ILE 111  -1.870   1.553   2.436
  361   3HD1  ILE 111          3HD1      ILE 111  -0.315   1.296   1.643
  362    HA   PRO 112           HA       PRO 112   0.651  -1.111  -3.885
  363   1HB   PRO 112          2HB       PRO 112   0.947   1.611  -4.543
  364   2HB   PRO 112          3HB       PRO 112   0.269   0.352  -5.576
  365   1HG   PRO 112          2HG       PRO 112  -1.121   2.373  -3.918
  366   2HG   PRO 112          3HG       PRO 112  -1.627   1.612  -5.425
  367   1HD   PRO 112          2HD       PRO 112  -2.687   0.953  -3.041
  368   2HD   PRO 112          3HD       PRO 112  -2.505  -0.213  -4.360
  369    H    PHE 113           HN       PHE 113   2.274  -1.453  -2.455
  370    HA   PHE 113           HA       PHE 113   2.794  -0.039  -0.146
  371   1HB   PHE 113          2HB       PHE 113   4.749  -1.285   0.069
  372   2HB   PHE 113          3HB       PHE 113   3.750  -2.299  -0.965
  373    HD1  PHE 113           1HD      PHE 113   4.108  -1.043  -3.590
  374    HD2  PHE 113           2HD      PHE 113   6.931  -1.765  -0.489
  375    HE1  PHE 113           1HE      PHE 113   5.918  -1.094  -5.256
  376    HE2  PHE 113           2HE      PHE 113   8.747  -1.819  -2.149
  377    HZ   PHE 113           HZ       PHE 113   8.241  -1.482  -4.536
  378    H    ASN 114           HN       ASN 114   3.604   0.844  -3.392
  379    HA   ASN 114           HA       ASN 114   5.445   2.916  -2.445
  380   1HB   ASN 114          2HB       ASN 114   5.843   3.244  -4.934
  381   2HB   ASN 114          3HB       ASN 114   6.374   1.707  -4.262
  382   1HD2  ASN 114          1HD2      ASN 114   6.174   1.606  -6.818
  383   2HD2  ASN 114          2HD2      ASN 114   4.725   0.841  -7.364
  384    H    PHE 115           HN       PHE 115   2.574   3.080  -1.985
  385    HA   PHE 115           HA       PHE 115   1.947   5.460  -3.613
  386   1HB   PHE 115          2HB       PHE 115   0.445   3.108  -3.242
  387   2HB   PHE 115          3HB       PHE 115  -0.370   4.352  -2.309
  388    HD1  PHE 115           1HD      PHE 115   1.459   4.542  -5.551
  389    HD2  PHE 115           2HD      PHE 115  -2.227   4.967  -3.478
  390    HE1  PHE 115           1HE      PHE 115   0.409   5.412  -7.599
  391    HE2  PHE 115           2HE      PHE 115  -3.282   5.833  -5.510
  392    HZ   PHE 115           HZ       PHE 115  -1.969   6.059  -7.584
  393    H    VAL 116           HN       VAL 116   2.206   4.131  -0.404
  394    HA   VAL 116           HA       VAL 116   1.227   6.675   0.700
  395    HB   VAL 116           HB       VAL 116   0.879   5.413   2.820
  396   1HG1  VAL 116          1HG1      VAL 116  -1.004   3.922   1.558
  397   2HG1  VAL 116          2HG1      VAL 116  -1.153   5.642   1.917
  398   3HG1  VAL 116          3HG1      VAL 116  -0.613   5.119   0.322
  399   1HG2  VAL 116          1HG2      VAL 116   2.327   3.541   2.589
  400   2HG2  VAL 116          2HG2      VAL 116   0.681   2.909   2.558
  401   3HG2  VAL 116          3HG2      VAL 116   1.588   3.077   1.057
  402    H    ALA 117           HN       ALA 117   2.257   7.662   2.392
  403    HA   ALA 117           HA       ALA 117   4.935   6.722   3.123
  404   1HB   ALA 117          1HB       ALA 117   5.839   8.319   1.837
  405   2HB   ALA 117          2HB       ALA 117   4.286   9.118   1.591
  406   3HB   ALA 117          3HB       ALA 117   5.236   9.462   3.037
  407    H    LYS 118           HN       LYS 118   5.500   7.177   5.241
  408    HA   LYS 118           HA       LYS 118   3.685   7.270   7.220
  409   1HB   LYS 118          2HB       LYS 118   6.401   8.594   7.257
  410   2HB   LYS 118          3HB       LYS 118   5.441   8.251   8.690
  411   1HG   LYS 118          2HG       LYS 118   6.715   6.297   6.801
  412   2HG   LYS 118          3HG       LYS 118   7.027   6.520   8.524
  413   1HD   LYS 118          2HD       LYS 118   4.753   5.745   9.021
  414   2HD   LYS 118          3HD       LYS 118   4.468   5.499   7.299
  415   1HE   LYS 118          2HE       LYS 118   6.313   3.869   7.249
  416   2HE   LYS 118          3HE       LYS 118   6.536   4.090   8.985
  417   1HZ   LYS 118          1HZ       LYS 118   4.800   2.783   9.444
  418   2HZ   LYS 118          2HZ       LYS 118   4.958   2.222   7.856
  419   3HZ   LYS 118          3HZ       LYS 118   3.834   3.434   8.217
  420    H    ALA 119           HN       ALA 119   2.480   8.699   8.360
  421    HA   ALA 119           HA       ALA 119   1.808  11.183   7.137
  422   1HB   ALA 119          1HB       ALA 119   0.932   9.745   9.598
  423   2HB   ALA 119          2HB       ALA 119   0.576  11.465   9.456
  424   3HB   ALA 119          3HB       ALA 119  -0.021  10.342   8.236
  425    H    ASN 120           HN       ASN 120   4.398  11.531   7.414
  426    HA   ASN 120           HA       ASN 120   4.820  13.119   9.850
  427   1HB   ASN 120          2HB       ASN 120   7.245  13.004   9.205
  428   2HB   ASN 120          3HB       ASN 120   6.516  11.443   9.571
  429   1HD2  ASN 120          1HD2      ASN 120   7.779  10.149   8.365
  430   2HD2  ASN 120          2HD2      ASN 120   7.907  10.237   6.645
  Start of MODEL    8
    1    H    ASN  64           HN       ASN  64   1.364   2.925  12.847
    2    HA   ASN  64           HA       ASN  64   3.481   2.186  11.081
    3   1HB   ASN  64          2HB       ASN  64   1.386   0.155  11.778
    4   2HB   ASN  64          3HB       ASN  64   2.031   0.211  10.144
    5   1HD2  ASN  64          1HD2      ASN  64   2.281  -1.954  11.933
    6   2HD2  ASN  64          2HD2      ASN  64   3.962  -2.174  12.263
    7    H    LEU  65           HN       LEU  65   1.299   4.204  11.587
    8    HA   LEU  65           HA       LEU  65  -0.447   3.866   9.330
    9   1HB   LEU  65          2HB       LEU  65  -1.463   4.921  11.133
   10   2HB   LEU  65          3HB       LEU  65  -0.137   6.028  11.380
   11    HG   LEU  65           HG       LEU  65  -0.730   7.151   9.296
   12   1HD1  LEU  65          1HD1      LEU  65  -2.303   4.806   8.931
   13   2HD1  LEU  65          2HD1      LEU  65  -3.334   6.232   8.835
   14   3HD1  LEU  65          3HD1      LEU  65  -1.930   6.087   7.776
   15   1HD2  LEU  65          1HD2      LEU  65  -2.979   6.872  11.278
   16   2HD2  LEU  65          2HD2      LEU  65  -1.652   8.030  11.345
   17   3HD2  LEU  65          3HD2      LEU  65  -2.861   8.148  10.068
   18    H    VAL  66           HN       VAL  66  -0.470   4.928   7.503
   19    HA   VAL  66           HA       VAL  66   1.845   6.624   6.840
   20    HB   VAL  66           HB       VAL  66   1.513   5.677   4.510
   21   1HG1  VAL  66          1HG1      VAL  66   2.620   4.009   6.748
   22   2HG1  VAL  66          2HG1      VAL  66   2.916   3.681   5.040
   23   3HG1  VAL  66          3HG1      VAL  66   3.487   5.187   5.761
   24   1HG2  VAL  66          1HG2      VAL  66   0.651   3.334   4.482
   25   2HG2  VAL  66          2HG2      VAL  66   0.032   3.609   6.110
   26   3HG2  VAL  66          3HG2      VAL  66  -0.582   4.565   4.759
   27    H    ILE  67           HN       ILE  67   1.353   7.556   4.492
   28    HA   ILE  67           HA       ILE  67  -1.384   8.462   4.266
   29    HB   ILE  67           HB       ILE  67   0.702  10.143   5.357
   30   1HG1  ILE  67          2HG1      ILE  67  -2.248  10.366   4.849
   31   2HG1  ILE  67          3HG1      ILE  67  -1.450   9.948   6.338
   32   1HG2  ILE  67          1HG2      ILE  67   0.184  12.162   4.002
   33   2HG2  ILE  67          2HG2      ILE  67   1.089  10.938   3.112
   34   3HG2  ILE  67          3HG2      ILE  67  -0.645  11.126   2.841
   35   1HD1  ILE  67          1HD1      ILE  67  -2.340  12.464   5.490
   36   2HD1  ILE  67          2HD1      ILE  67  -1.453  12.067   6.963
   37   3HD1  ILE  67          3HD1      ILE  67  -0.575  12.529   5.504
   38    H    ALA  68           HN       ALA  68  -2.004   8.453   2.255
   39    HA   ALA  68           HA       ALA  68  -0.324   7.634   0.159
   40   1HB   ALA  68          1HB       ALA  68  -2.225   7.319  -0.957
   41   2HB   ALA  68          2HB       ALA  68  -3.032   7.795   0.538
   42   3HB   ALA  68          3HB       ALA  68  -2.743   8.989  -0.728
   43    H    LEU  69           HN       LEU  69   0.321   8.675  -1.736
   44    HA   LEU  69           HA       LEU  69   0.597  11.602  -1.514
   45   1HB   LEU  69          2HB       LEU  69   2.527   9.545  -2.576
   46   2HB   LEU  69          3HB       LEU  69   2.720  11.270  -2.841
   47    HG   LEU  69           HG       LEU  69   2.703   9.903  -0.147
   48   1HD1  LEU  69          1HD1      LEU  69   4.889  10.837  -1.962
   49   2HD1  LEU  69          2HD1      LEU  69   5.110  10.906  -0.215
   50   3HD1  LEU  69          3HD1      LEU  69   4.781   9.361  -1.000
   51   1HD2  LEU  69          1HD2      LEU  69   3.095  12.788  -0.930
   52   2HD2  LEU  69          2HD2      LEU  69   1.777  12.116   0.031
   53   3HD2  LEU  69          3HD2      LEU  69   3.420  12.131   0.674
   54    H    HIS  70           HN       HIS  70  -1.234   9.535  -3.019
   55    HA   HIS  70           HA       HIS  70  -1.650  11.153  -5.320
   56   1HB   HIS  70          2HB       HIS  70  -1.238   8.668  -6.592
   57   2HB   HIS  70          3HB       HIS  70  -0.316  10.148  -6.816
   58    HD1  HIS  70           1HD      HIS  70   1.970   9.127  -7.073
   59    HD2  HIS  70           2HD      HIS  70   0.040   7.857  -3.625
   60    HE1  HIS  70           1HE      HIS  70   3.708   7.889  -5.752
   61    HE2  HIS  70           2HE      HIS  70   2.562   7.294  -3.591
   62    H    SER  71           HN       SER  71  -3.653  10.777  -6.242
   63    HA   SER  71           HA       SER  71  -5.587   9.459  -4.712
   64   1HB   SER  71          2HB       SER  71  -6.132   9.762  -7.612
   65   2HB   SER  71          3HB       SER  71  -7.101  10.256  -6.226
   66    HG   SER  71           HG       SER  71  -5.488  11.746  -7.717
   67    H    TYR  72           HN       TYR  72  -6.081   7.377  -4.507
   68    HA   TYR  72           HA       TYR  72  -4.971   5.504  -6.482
   69   1HB   TYR  72          2HB       TYR  72  -4.344   5.235  -4.066
   70   2HB   TYR  72          3HB       TYR  72  -6.021   4.837  -3.736
   71    HD1  TYR  72           1HD      TYR  72  -6.133   2.589  -3.222
   72    HD2  TYR  72           2HD      TYR  72  -3.743   3.815  -6.518
   73    HE1  TYR  72           1HE      TYR  72  -5.706   0.236  -3.782
   74    HE2  TYR  72           2HE      TYR  72  -3.319   1.464  -7.092
   75    HH   TYR  72           HH       TYR  72  -4.889  -0.891  -6.455
   76    H    GLU  73           HN       GLU  73  -6.137   3.877  -7.396
   77    HA   GLU  73           HA       GLU  73  -9.017   3.800  -6.961
   78   1HB   GLU  73          2HB       GLU  73  -7.711   4.839  -9.244
   79   2HB   GLU  73          3HB       GLU  73  -8.526   3.361  -9.710
   80   1HG   GLU  73          2HG       GLU  73 -10.623   4.199  -9.023
   81   2HG   GLU  73          3HG       GLU  73  -9.871   5.557  -8.186
   82    HA   PRO  74           HA       PRO  74  -7.412  -0.411  -6.185
   83   1HB   PRO  74          2HB       PRO  74 -10.216  -1.104  -6.125
   84   2HB   PRO  74          3HB       PRO  74  -9.064  -1.043  -4.792
   85   1HG   PRO  74          2HG       PRO  74 -11.026   0.969  -5.655
   86   2HG   PRO  74          3HG       PRO  74 -10.235   0.767  -4.084
   87   1HD   PRO  74          2HD       PRO  74  -9.617   2.806  -5.753
   88   2HD   PRO  74          3HD       PRO  74  -8.399   2.029  -4.715
   89    H    SER  75           HN       SER  75  -6.757  -1.665  -7.775
   90    HA   SER  75           HA       SER  75  -8.560  -2.140 -10.056
   91   1HB   SER  75          2HB       SER  75  -5.964  -2.695 -10.941
   92   2HB   SER  75          3HB       SER  75  -6.937  -1.284 -11.354
   93    HG   SER  75           HG       SER  75  -5.141  -1.508  -9.167
   94    H    HIS  76           HN       HIS  76  -6.040  -3.488  -7.974
   95    HA   HIS  76           HA       HIS  76  -6.389  -6.157  -9.004
   96   1HB   HIS  76          2HB       HIS  76  -4.660  -4.861  -6.952
   97   2HB   HIS  76          3HB       HIS  76  -4.960  -6.587  -6.785
   98    HD1  HIS  76           1HD      HIS  76  -3.433  -8.059  -8.065
   99    HD2  HIS  76           2HD      HIS  76  -3.559  -4.213  -9.632
  100    HE1  HIS  76           1HE      HIS  76  -1.719  -8.026  -9.905
  101    HE2  HIS  76           2HE      HIS  76  -1.744  -5.661 -10.771
  102    H    ASP  77           HN       ASP  77  -7.018  -7.979  -7.635
  103    HA   ASP  77           HA       ASP  77  -9.502  -7.515  -6.357
  104   1HB   ASP  77          2HB       ASP  77  -8.473  -9.668  -7.524
  105   2HB   ASP  77          3HB       ASP  77  -8.006 -10.050  -5.869
  106    H    GLY  78           HN       GLY  78 -10.089  -7.568  -4.204
  107   1HA   GLY  78          1HA       GLY  78  -9.852  -7.271  -1.938
  108   2HA   GLY  78          2HA       GLY  78  -8.412  -8.267  -2.064
  109    H    ASP  79           HN       ASP  79  -9.046  -5.109  -3.552
  110    HA   ASP  79           HA       ASP  79  -6.704  -4.085  -2.098
  111   1HB   ASP  79          2HB       ASP  79  -7.873  -3.277  -4.761
  112   2HB   ASP  79          3HB       ASP  79  -6.597  -2.377  -3.944
  113    H    LEU  80           HN       LEU  80  -6.727  -1.895  -1.395
  114    HA   LEU  80           HA       LEU  80  -9.424  -0.926  -0.730
  115   1HB   LEU  80          2HB       LEU  80  -8.475  -1.357   1.325
  116   2HB   LEU  80          3HB       LEU  80  -6.853  -1.002   0.776
  117    HG   LEU  80           HG       LEU  80  -7.513   1.433   0.751
  118   1HD1  LEU  80          1HD1      LEU  80  -9.760   1.693   0.804
  119   2HD1  LEU  80          2HD1      LEU  80 -10.019   0.222   1.742
  120   3HD1  LEU  80          3HD1      LEU  80  -9.478   1.697   2.547
  121   1HD2  LEU  80          1HD2      LEU  80  -7.261   1.682   3.175
  122   2HD2  LEU  80          2HD2      LEU  80  -7.607  -0.034   3.381
  123   3HD2  LEU  80          3HD2      LEU  80  -6.152   0.475   2.524
  124    H    GLY  81           HN       GLY  81 -10.012   1.059  -1.404
  125   1HA   GLY  81          1HA       GLY  81  -8.048   2.568  -2.960
  126   2HA   GLY  81          2HA       GLY  81  -9.786   2.780  -3.024
  127    H    PHE  82           HN       PHE  82  -7.531   4.677  -2.609
  128    HA   PHE  82           HA       PHE  82  -8.723   6.087  -0.367
  129   1HB   PHE  82          2HB       PHE  82  -6.283   6.662   0.368
  130   2HB   PHE  82          3HB       PHE  82  -7.031   5.166   0.906
  131    HD1  PHE  82           1HD      PHE  82  -4.181   6.593  -0.563
  132    HD2  PHE  82           2HD      PHE  82  -6.579   3.081  -0.624
  133    HE1  PHE  82           1HE      PHE  82  -2.286   5.320  -1.505
  134    HE2  PHE  82           2HE      PHE  82  -4.698   1.813  -1.571
  135    HZ   PHE  82           HZ       PHE  82  -2.551   2.927  -2.004
  136    H    GLU  83           HN       GLU  83  -7.496   8.295  -0.144
  137    HA   GLU  83           HA       GLU  83  -7.264   9.364  -2.877
  138   1HB   GLU  83          2HB       GLU  83  -8.637  10.246  -0.467
  139   2HB   GLU  83          3HB       GLU  83  -7.618  11.504  -1.144
  140   1HG   GLU  83          2HG       GLU  83  -8.916  10.464  -3.343
  141   2HG   GLU  83          3HG       GLU  83 -10.144  10.445  -2.079
  142    H    LYS  84           HN       LYS  84  -5.916  11.475  -2.903
  143    HA   LYS  84           HA       LYS  84  -3.277  10.797  -2.045
  144   1HB   LYS  84          2HB       LYS  84  -3.343  11.977  -4.064
  145   2HB   LYS  84          3HB       LYS  84  -4.497  13.148  -3.453
  146   1HG   LYS  84          2HG       LYS  84  -2.549  13.827  -1.858
  147   2HG   LYS  84          3HG       LYS  84  -1.542  13.005  -3.047
  148   1HD   LYS  84          2HD       LYS  84  -3.553  15.031  -3.925
  149   2HD   LYS  84          3HD       LYS  84  -1.999  15.557  -3.277
  150   1HE   LYS  84          2HE       LYS  84  -1.747  13.431  -5.253
  151   2HE   LYS  84          3HE       LYS  84  -2.522  14.879  -5.898
  152   1HZ   LYS  84          1HZ       LYS  84  -0.146  15.002  -6.184
  153   2HZ   LYS  84          2HZ       LYS  84   0.110  14.765  -4.529
  154   3HZ   LYS  84          3HZ       LYS  84  -0.639  16.180  -5.072
  155    H    GLY  85           HN       GLY  85  -2.314  11.285  -0.187
  156   1HA   GLY  85          1HA       GLY  85  -1.803  12.529   1.738
  157   2HA   GLY  85          2HA       GLY  85  -3.190  13.566   1.406
  158    H    GLU  86           HN       GLU  86  -4.636  10.816   0.972
  159    HA   GLU  86           HA       GLU  86  -6.033  10.720   3.365
  160   1HB   GLU  86          2HB       GLU  86  -6.283   9.520   0.944
  161   2HB   GLU  86          3HB       GLU  86  -5.700   8.171   1.900
  162   1HG   GLU  86          2HG       GLU  86  -8.313   9.068   1.622
  163   2HG   GLU  86          3HG       GLU  86  -7.714   7.811   2.682
  164    H    GLN  87           HN       GLN  87  -6.093   8.823   4.868
  165    HA   GLN  87           HA       GLN  87  -3.366   7.857   5.394
  166   1HB   GLN  87          2HB       GLN  87  -5.352   8.422   7.575
  167   2HB   GLN  87          3HB       GLN  87  -3.625   8.148   7.718
  168   1HG   GLN  87          2HG       GLN  87  -3.098  10.269   7.244
  169   2HG   GLN  87          3HG       GLN  87  -4.388  10.435   6.057
  170   1HE2  GLN  87          1HE2      GLN  87  -3.492  10.770   9.380
  171   2HE2  GLN  87          2HE2      GLN  87  -4.914  11.601   9.901
  172    H    LEU  88           HN       LEU  88  -3.126   5.853   6.229
  173    HA   LEU  88           HA       LEU  88  -5.444   4.127   6.593
  174   1HB   LEU  88          2HB       LEU  88  -3.308   3.000   4.880
  175   2HB   LEU  88          3HB       LEU  88  -5.019   2.634   4.921
  176    HG   LEU  88           HG       LEU  88  -4.434   5.316   3.903
  177   1HD1  LEU  88          1HD1      LEU  88  -2.550   3.573   3.152
  178   2HD1  LEU  88          2HD1      LEU  88  -3.791   3.207   1.950
  179   3HD1  LEU  88          3HD1      LEU  88  -3.167   4.850   2.100
  180   1HD2  LEU  88          1HD2      LEU  88  -6.103   4.739   2.326
  181   2HD2  LEU  88          2HD2      LEU  88  -5.906   3.013   2.656
  182   3HD2  LEU  88          3HD2      LEU  88  -6.623   4.073   3.877
  183    H    ARG  89           HN       ARG  89  -5.113   2.817   8.234
  184    HA   ARG  89           HA       ARG  89  -2.543   2.754   9.500
  185   1HB   ARG  89          2HB       ARG  89  -4.388   2.909  10.969
  186   2HB   ARG  89          3HB       ARG  89  -5.246   1.604  10.161
  187   1HG   ARG  89          2HG       ARG  89  -3.666   0.005  10.981
  188   2HG   ARG  89          3HG       ARG  89  -2.691   1.287  11.685
  189   1HD   ARG  89          2HD       ARG  89  -4.823   1.907  12.966
  190   2HD   ARG  89          3HD       ARG  89  -5.383   0.300  12.536
  191    HE   ARG  89           HE       ARG  89  -2.774   0.417  13.780
  192   1HH1  ARG  89          2HH1      ARG  89  -6.212   0.031  14.271
  193   2HH1  ARG  89          1HH1      ARG  89  -6.028  -0.776  15.791
  194   1HH2  ARG  89          2HH2      ARG  89  -2.537  -0.644  15.780
  195   2HH2  ARG  89          1HH2      ARG  89  -3.944  -1.158  16.649
  196    H    ILE  90           HN       ILE  90  -1.095   1.563   8.483
  197    HA   ILE  90           HA       ILE  90  -1.575  -0.631   6.847
  198    HB   ILE  90           HB       ILE  90   0.993  -0.112   8.346
  199   1HG1  ILE  90          2HG1      ILE  90   0.191   1.902   7.170
  200   2HG1  ILE  90          3HG1      ILE  90   1.661   1.272   6.459
  201   1HG2  ILE  90          1HG2      ILE  90   1.957  -1.648   7.045
  202   2HG2  ILE  90          2HG2      ILE  90   0.316  -2.213   6.728
  203   3HG2  ILE  90          3HG2      ILE  90   1.096  -1.098   5.606
  204   1HD1  ILE  90          1HD1      ILE  90   0.652   1.295   4.494
  205   2HD1  ILE  90          2HD1      ILE  90  -0.463   0.063   5.084
  206   3HD1  ILE  90          3HD1      ILE  90  -0.871   1.771   5.243
  207    H    LEU  91           HN       LEU  91  -2.449  -2.445   7.371
  208    HA   LEU  91           HA       LEU  91  -2.281  -3.593  10.010
  209   1HB   LEU  91          2HB       LEU  91  -3.350  -4.894   7.511
  210   2HB   LEU  91          3HB       LEU  91  -3.800  -5.224   9.172
  211    HG   LEU  91           HG       LEU  91  -4.410  -2.687   7.657
  212   1HD1  LEU  91          1HD1      LEU  91  -6.814  -3.701   8.242
  213   2HD1  LEU  91          2HD1      LEU  91  -5.966  -4.004   6.726
  214   3HD1  LEU  91          3HD1      LEU  91  -5.901  -5.197   8.024
  215   1HD2  LEU  91          1HD2      LEU  91  -6.054  -2.831   9.878
  216   2HD2  LEU  91          2HD2      LEU  91  -4.479  -3.347  10.479
  217   3HD2  LEU  91          3HD2      LEU  91  -4.649  -1.785   9.679
  218    H    GLU  92           HN       GLU  92  -1.210  -4.332   6.755
  219    HA   GLU  92           HA       GLU  92   1.104  -5.744   7.803
  220   1HB   GLU  92          2HB       GLU  92  -1.125  -7.084   6.589
  221   2HB   GLU  92          3HB       GLU  92   0.285  -7.235   5.548
  222   1HG   GLU  92          2HG       GLU  92   1.052  -8.843   6.848
  223   2HG   GLU  92          3HG       GLU  92   1.174  -7.681   8.171
  224    H    GLN  93           HN       GLN  93   2.849  -5.872   6.248
  225    HA   GLN  93           HA       GLN  93   2.478  -4.211   3.882
  226   1HB   GLN  93          2HB       GLN  93   4.877  -3.311   4.641
  227   2HB   GLN  93          3HB       GLN  93   3.376  -2.515   5.073
  228   1HG   GLN  93          2HG       GLN  93   3.364  -3.788   7.167
  229   2HG   GLN  93          3HG       GLN  93   4.920  -4.448   6.718
  230   1HE2  GLN  93          1HE2      GLN  93   6.728  -3.023   6.563
  231   2HE2  GLN  93          2HE2      GLN  93   6.754  -1.543   7.455
  232    H    SER  94           HN       SER  94   2.759  -7.019   4.058
  233    HA   SER  94           HA       SER  94   5.487  -7.627   3.315
  234   1HB   SER  94          2HB       SER  94   4.871  -9.610   4.136
  235   2HB   SER  94          3HB       SER  94   3.181  -9.122   4.194
  236    HG   SER  94           HG       SER  94   4.591 -10.376   2.091
  237    H    GLY  95           HN       GLY  95   6.257  -7.769   1.305
  238   1HA   GLY  95          1HA       GLY  95   6.289  -7.891  -1.011
  239   2HA   GLY  95          2HA       GLY  95   4.583  -8.291  -0.963
  240    H    GLU  96           HN       GLU  96   5.590  -6.749  -2.916
  241    HA   GLU  96           HA       GLU  96   5.713  -4.031  -2.690
  242   1HB   GLU  96          2HB       GLU  96   6.094  -4.604  -4.833
  243   2HB   GLU  96          3HB       GLU  96   4.960  -5.949  -4.772
  244   1HG   GLU  96          2HG       GLU  96   3.133  -4.514  -5.073
  245   2HG   GLU  96          3HG       GLU  96   4.150  -3.082  -4.947
  246    H    TRP  97           HN       TRP  97   2.933  -6.013  -2.140
  247    HA   TRP  97           HA       TRP  97   1.225  -3.621  -2.137
  248   1HB   TRP  97          2HB       TRP  97   0.620  -6.538  -2.534
  249   2HB   TRP  97          3HB       TRP  97  -0.642  -5.396  -2.084
  250    HD1  TRP  97           1HD      TRP  97   1.694  -6.284  -4.985
  251    HE1  TRP  97           1HE      TRP  97   0.844  -5.115  -7.116
  252    HE3  TRP  97           3HE      TRP  97  -2.004  -3.425  -2.923
  253    HZ2  TRP  97           2HZ      TRP  97  -1.132  -3.226  -7.825
  254    HZ3  TRP  97           3HZ      TRP  97  -3.326  -1.964  -4.387
  255    HH2  TRP  97           2HH      TRP  97  -2.894  -1.863  -6.790
  256    H    TRP  98           HN       TRP  98   0.825  -2.774  -0.211
  257    HA   TRP  98           HA       TRP  98   1.118  -4.441   2.176
  258   1HB   TRP  98          2HB       TRP  98   1.079  -1.452   1.800
  259   2HB   TRP  98          3HB       TRP  98   1.101  -2.235   3.372
  260    HD1  TRP  98           1HD      TRP  98   3.203  -4.331   1.312
  261    HE1  TRP  98           1HE      TRP  98   5.695  -3.744   1.600
  262    HE3  TRP  98           3HE      TRP  98   2.676   0.177   3.596
  263    HZ2  TRP  98           2HZ      TRP  98   7.234  -1.607   2.658
  264    HZ3  TRP  98           3HZ      TRP  98   4.691   1.452   4.214
  265    HH2  TRP  98           2HH      TRP  98   6.926   0.571   3.757
  266    H    LYS  99           HN       LYS  99  -0.441  -4.659   3.709
  267    HA   LYS  99           HA       LYS  99  -3.169  -4.098   2.875
  268   1HB   LYS  99          2HB       LYS  99  -2.720  -6.320   3.749
  269   2HB   LYS  99          3HB       LYS  99  -2.026  -5.639   5.210
  270   1HG   LYS  99          2HG       LYS  99  -4.431  -6.584   5.262
  271   2HG   LYS  99          3HG       LYS  99  -4.075  -5.066   6.088
  272   1HD   LYS  99          2HD       LYS  99  -5.091  -3.789   4.466
  273   2HD   LYS  99          3HD       LYS  99  -5.030  -5.077   3.260
  274   1HE   LYS  99          2HE       LYS  99  -6.523  -5.972   5.530
  275   2HE   LYS  99          3HE       LYS  99  -7.147  -4.412   5.005
  276   1HZ   LYS  99          1HZ       LYS  99  -6.808  -5.785   2.683
  277   2HZ   LYS  99          2HZ       LYS  99  -8.276  -5.574   3.498
  278   3HZ   LYS  99          3HZ       LYS  99  -7.364  -6.976   3.750
  279    H    ALA 100           HN       ALA 100  -4.033  -2.176   3.416
  280    HA   ALA 100           HA       ALA 100  -3.229  -1.005   6.000
  281   1HB   ALA 100          1HB       ALA 100  -3.046   1.081   5.118
  282   2HB   ALA 100          2HB       ALA 100  -2.600   0.138   3.693
  283   3HB   ALA 100          3HB       ALA 100  -4.239   0.779   3.852
  284    H    GLN 101           HN       GLN 101  -4.766  -0.117   7.297
  285    HA   GLN 101           HA       GLN 101  -7.544  -0.610   6.469
  286   1HB   GLN 101          2HB       GLN 101  -7.035  -1.890   8.432
  287   2HB   GLN 101          3HB       GLN 101  -6.303  -0.510   9.227
  288   1HG   GLN 101          2HG       GLN 101  -8.585   0.549   9.043
  289   2HG   GLN 101          3HG       GLN 101  -9.198  -1.041   8.656
  290   1HE2  GLN 101          1HE2      GLN 101  -7.626   0.914  11.095
  291   2HE2  GLN 101          2HE2      GLN 101  -8.024  -0.094  12.439
  292    H    SER 102           HN       SER 102  -8.428   1.192   5.767
  293    HA   SER 102           HA       SER 102  -7.476   3.746   6.019
  294   1HB   SER 102          2HB       SER 102  -9.886   2.448   5.114
  295   2HB   SER 102          3HB       SER 102 -10.252   3.965   5.894
  296    HG   SER 102           HG       SER 102  -8.691   3.488   3.621
  297    H    LEU 103           HN       LEU 103  -8.592   5.585   7.182
  298    HA   LEU 103           HA       LEU 103  -9.317   4.724   9.905
  299   1HB   LEU 103          2HB       LEU 103  -7.425   6.867   9.028
  300   2HB   LEU 103          3HB       LEU 103  -8.145   6.863  10.624
  301    HG   LEU 103           HG       LEU 103  -7.228   4.303  10.459
  302   1HD1  LEU 103          1HD1      LEU 103  -5.426   6.050   8.829
  303   2HD1  LEU 103          2HD1      LEU 103  -4.858   4.582   9.626
  304   3HD1  LEU 103          3HD1      LEU 103  -6.132   4.489   8.408
  305   1HD2  LEU 103          1HD2      LEU 103  -6.883   6.190  12.211
  306   2HD2  LEU 103          2HD2      LEU 103  -5.723   4.861  12.104
  307   3HD2  LEU 103          3HD2      LEU 103  -5.345   6.428  11.380
  308    H    THR 104           HN       THR 104  -9.978   6.819   7.260
  309    HA   THR 104           HA       THR 104 -11.787   8.511   8.748
  310    HB   THR 104           HB       THR 104 -11.697   8.282   5.755
  311    HG1  THR 104           1HG      THR 104  -9.780   9.146   5.655
  312   1HG2  THR 104          1HG2      THR 104 -12.246  10.450   7.716
  313   2HG2  THR 104          2HG2      THR 104 -13.264   9.841   6.409
  314   3HG2  THR 104          3HG2      THR 104 -11.830  10.801   6.039
  315    H    THR 105           HN       THR 105 -11.839   5.883   6.477
  316    HA   THR 105           HA       THR 105 -14.732   5.469   6.815
  317    HB   THR 105           HB       THR 105 -14.756   4.642   4.691
  318    HG1  THR 105           1HG      THR 105 -12.831   3.737   3.701
  319   1HG2  THR 105          1HG2      THR 105 -13.952   6.901   4.402
  320   2HG2  THR 105          2HG2      THR 105 -13.254   5.838   3.178
  321   3HG2  THR 105          3HG2      THR 105 -12.289   6.337   4.570
  322    H    GLY 106           HN       GLY 106 -11.593   4.097   6.925
  323   1HA   GLY 106          1HA       GLY 106 -10.692   2.448   8.162
  324   2HA   GLY 106          2HA       GLY 106 -12.273   2.057   8.782
  325    H    GLN 107           HN       GLN 107 -12.586   2.147   5.504
  326    HA   GLN 107           HA       GLN 107 -13.056  -0.504   5.132
  327   1HB   GLN 107          2HB       GLN 107 -12.391   1.760   3.373
  328   2HB   GLN 107          3HB       GLN 107 -12.399   0.152   2.671
  329   1HG   GLN 107          2HG       GLN 107 -14.579   0.465   2.408
  330   2HG   GLN 107          3HG       GLN 107 -14.675   0.163   4.141
  331   1HE2  GLN 107          1HE2      GLN 107 -15.949   1.554   5.104
  332   2HE2  GLN 107          2HE2      GLN 107 -16.104   3.234   4.730
  333    H    GLU 108           HN       GLU 108 -11.856  -2.227   5.154
  334    HA   GLU 108           HA       GLU 108  -8.964  -1.972   5.135
  335   1HB   GLU 108          2HB       GLU 108 -10.694  -4.398   5.581
  336   2HB   GLU 108          3HB       GLU 108  -8.961  -4.326   5.806
  337   1HG   GLU 108          2HG       GLU 108  -9.184  -3.524   7.841
  338   2HG   GLU 108          3HG       GLU 108 -10.256  -2.240   7.292
  339    H    GLY 109           HN       GLY 109  -7.564  -2.956   3.719
  340   1HA   GLY 109          1HA       GLY 109  -8.156  -4.773   1.712
  341   2HA   GLY 109          2HA       GLY 109  -8.439  -3.183   1.026
  342    H    PHE 110           HN       PHE 110  -6.601  -4.466  -0.262
  343    HA   PHE 110           HA       PHE 110  -3.972  -4.067   0.863
  344   1HB   PHE 110          2HB       PHE 110  -5.141  -5.423  -1.496
  345   2HB   PHE 110          3HB       PHE 110  -3.517  -4.794  -1.690
  346    HD1  PHE 110           1HD      PHE 110  -5.151  -6.304   1.287
  347    HD2  PHE 110           2HD      PHE 110  -2.125  -6.646  -1.687
  348    HE1  PHE 110           1HE      PHE 110  -4.256  -8.290   2.430
  349    HE2  PHE 110           2HE      PHE 110  -1.226  -8.634  -0.549
  350    HZ   PHE 110           HZ       PHE 110  -2.292  -9.459   1.512
  351    H    ILE 111           HN       ILE 111  -2.344  -2.753  -0.198
  352    HA   ILE 111           HA       ILE 111  -3.299  -0.762  -2.096
  353    HB   ILE 111           HB       ILE 111  -2.581   1.145  -0.756
  354   1HG1  ILE 111          2HG1      ILE 111  -2.407  -0.480   1.729
  355   2HG1  ILE 111          3HG1      ILE 111  -1.048  -0.562   0.620
  356   1HG2  ILE 111          1HG2      ILE 111  -4.930   0.118  -0.630
  357   2HG2  ILE 111          2HG2      ILE 111  -4.455  -0.420   0.982
  358   3HG2  ILE 111          3HG2      ILE 111  -4.468   1.301   0.592
  359   1HD1  ILE 111          1HD1      ILE 111  -1.071   1.988   0.691
  360   2HD1  ILE 111          2HD1      ILE 111  -2.095   1.799   2.115
  361   3HD1  ILE 111          3HD1      ILE 111  -0.467   1.116   2.101
  362    HA   PRO 112           HA       PRO 112   0.701  -1.080  -3.858
  363   1HB   PRO 112          2HB       PRO 112   0.952   1.648  -4.508
  364   2HB   PRO 112          3HB       PRO 112   0.283   0.383  -5.541
  365   1HG   PRO 112          2HG       PRO 112  -1.119   2.386  -3.871
  366   2HG   PRO 112          3HG       PRO 112  -1.630   1.615  -5.372
  367   1HD   PRO 112          2HD       PRO 112  -2.647   0.952  -2.964
  368   2HD   PRO 112          3HD       PRO 112  -2.492  -0.205  -4.294
  369    H    PHE 113           HN       PHE 113   2.311  -1.414  -2.407
  370    HA   PHE 113           HA       PHE 113   2.815   0.023  -0.108
  371   1HB   PHE 113          2HB       PHE 113   4.760  -1.228   0.139
  372   2HB   PHE 113          3HB       PHE 113   3.770  -2.249  -0.898
  373    HD1  PHE 113           1HD      PHE 113   6.939  -1.787  -0.401
  374    HD2  PHE 113           2HD      PHE 113   4.171  -0.948  -3.522
  375    HE1  PHE 113           1HE      PHE 113   8.771  -1.858  -2.040
  376    HE2  PHE 113           2HE      PHE 113   5.998  -1.017  -5.168
  377    HZ   PHE 113           HZ       PHE 113   8.302  -1.473  -4.427
  378    H    ASN 114           HN       ASN 114   3.626   0.887  -3.354
  379    HA   ASN 114           HA       ASN 114   5.472   2.960  -2.417
  380   1HB   ASN 114          2HB       ASN 114   5.873   3.273  -4.908
  381   2HB   ASN 114          3HB       ASN 114   6.405   1.740  -4.226
  382   1HD2  ASN 114          1HD2      ASN 114   5.024   3.033  -6.830
  383   2HD2  ASN 114          2HD2      ASN 114   4.034   1.718  -7.354
  384    H    PHE 115           HN       PHE 115   2.593   3.104  -1.975
  385    HA   PHE 115           HA       PHE 115   1.964   5.483  -3.601
  386   1HB   PHE 115          2HB       PHE 115   0.477   3.117  -3.252
  387   2HB   PHE 115          3HB       PHE 115  -0.357   4.353  -2.327
  388    HD1  PHE 115           1HD      PHE 115   1.509   4.587  -5.542
  389    HD2  PHE 115           2HD      PHE 115  -2.213   4.931  -3.520
  390    HE1  PHE 115           1HE      PHE 115   0.473   5.449  -7.601
  391    HE2  PHE 115           2HE      PHE 115  -3.254   5.789  -5.563
  392    HZ   PHE 115           HZ       PHE 115  -1.916   6.052  -7.616
  393    H    VAL 116           HN       VAL 116   2.388   4.226  -0.412
  394    HA   VAL 116           HA       VAL 116   1.297   6.729   0.690
  395    HB   VAL 116           HB       VAL 116   0.971   5.459   2.814
  396   1HG1  VAL 116          1HG1      VAL 116  -1.147   4.811   2.225
  397   2HG1  VAL 116          2HG1      VAL 116  -0.730   5.871   0.880
  398   3HG1  VAL 116          3HG1      VAL 116  -0.627   4.121   0.688
  399   1HG2  VAL 116          1HG2      VAL 116   2.430   3.598   2.563
  400   2HG2  VAL 116          2HG2      VAL 116   0.787   2.955   2.539
  401   3HG2  VAL 116          3HG2      VAL 116   1.682   3.137   1.032
  402    H    ALA 117           HN       ALA 117   2.295   7.714   2.406
  403    HA   ALA 117           HA       ALA 117   4.982   6.821   3.154
  404   1HB   ALA 117          1HB       ALA 117   4.708   8.788   1.318
  405   2HB   ALA 117          2HB       ALA 117   4.673   9.734   2.806
  406   3HB   ALA 117          3HB       ALA 117   6.051   8.690   2.458
  407    H    LYS 118           HN       LYS 118   5.504   7.271   5.285
  408    HA   LYS 118           HA       LYS 118   3.648   7.347   7.228
  409   1HB   LYS 118          2HB       LYS 118   6.476   7.956   7.084
  410   2HB   LYS 118          3HB       LYS 118   5.687   8.923   8.320
  411   1HG   LYS 118          2HG       LYS 118   6.675   6.653   8.985
  412   2HG   LYS 118          3HG       LYS 118   5.056   7.062   9.556
  413   1HD   LYS 118          2HD       LYS 118   4.034   5.555   8.158
  414   2HD   LYS 118          3HD       LYS 118   5.342   5.603   6.976
  415   1HE   LYS 118          2HE       LYS 118   5.577   4.358   9.712
  416   2HE   LYS 118          3HE       LYS 118   5.172   3.458   8.250
  417   1HZ   LYS 118          1HZ       LYS 118   7.325   4.427   7.330
  418   2HZ   LYS 118          2HZ       LYS 118   7.458   3.197   8.483
  419   3HZ   LYS 118          3HZ       LYS 118   7.710   4.808   8.934
  420    H    ALA 119           HN       ALA 119   2.444   8.776   8.378
  421    HA   ALA 119           HA       ALA 119   1.738  11.237   7.129
  422   1HB   ALA 119          1HB       ALA 119  -0.079  10.386   8.238
  423   2HB   ALA 119          2HB       ALA 119   0.883   9.817   9.607
  424   3HB   ALA 119          3HB       ALA 119   0.504  11.531   9.445
  425    H    ASN 120           HN       ASN 120   4.373  11.535   7.465
  426    HA   ASN 120           HA       ASN 120   4.776  13.157   9.872
  427   1HB   ASN 120          2HB       ASN 120   6.559  11.654   8.040
  428   2HB   ASN 120          3HB       ASN 120   7.206  13.153   8.701
  429   1HD2  ASN 120          1HD2      ASN 120   7.915  13.191  10.744
  430   2HD2  ASN 120          2HD2      ASN 120   7.819  11.863  11.845
  Start of MODEL    9
    1    H    ASN  64           HN       ASN  64   1.163   2.962  12.916
    2    HA   ASN  64           HA       ASN  64   3.414   2.313  11.329
    3   1HB   ASN  64          2HB       ASN  64   1.406   0.148  11.829
    4   2HB   ASN  64          3HB       ASN  64   2.085   0.309  10.215
    5   1HD2  ASN  64          1HD2      ASN  64   2.435  -1.939  11.806
    6   2HD2  ASN  64          2HD2      ASN  64   4.110  -2.075  12.207
    7    H    LEU  65           HN       LEU  65   1.261   4.284  11.666
    8    HA   LEU  65           HA       LEU  65  -0.433   3.936   9.377
    9   1HB   LEU  65          2HB       LEU  65  -1.454   5.026  11.163
   10   2HB   LEU  65          3HB       LEU  65  -0.131   6.144  11.378
   11    HG   LEU  65           HG       LEU  65  -0.720   7.197   9.254
   12   1HD1  LEU  65          1HD1      LEU  65  -3.329   6.257   8.836
   13   2HD1  LEU  65          2HD1      LEU  65  -1.931   6.094   7.771
   14   3HD1  LEU  65          3HD1      LEU  65  -2.286   4.841   8.962
   15   1HD2  LEU  65          1HD2      LEU  65  -2.967   6.989  11.247
   16   2HD2  LEU  65          2HD2      LEU  65  -1.635   8.144  11.277
   17   3HD2  LEU  65          3HD2      LEU  65  -2.846   8.227   9.997
   18    H    VAL  66           HN       VAL  66  -0.434   4.967   7.547
   19    HA   VAL  66           HA       VAL  66   1.892   6.633   6.847
   20    HB   VAL  66           HB       VAL  66   1.522   5.657   4.531
   21   1HG1  VAL  66          1HG1      VAL  66   2.858   3.590   5.123
   22   2HG1  VAL  66          2HG1      VAL  66   3.517   5.131   5.674
   23   3HG1  VAL  66          3HG1      VAL  66   2.668   4.081   6.807
   24   1HG2  VAL  66          1HG2      VAL  66  -0.593   4.581   4.845
   25   2HG2  VAL  66          2HG2      VAL  66   0.620   3.342   4.521
   26   3HG2  VAL  66          3HG2      VAL  66   0.054   3.611   6.169
   27    H    ILE  67           HN       ILE  67   1.359   7.533   4.482
   28    HA   ILE  67           HA       ILE  67  -1.382   8.449   4.316
   29    HB   ILE  67           HB       ILE  67   0.748  10.156   5.288
   30   1HG1  ILE  67          2HG1      ILE  67  -2.223  10.341   4.908
   31   2HG1  ILE  67          3HG1      ILE  67  -1.355   9.987   6.371
   32   1HG2  ILE  67          1HG2      ILE  67   0.180  12.138   3.913
   33   2HG2  ILE  67          2HG2      ILE  67   1.030  10.888   3.003
   34   3HG2  ILE  67          3HG2      ILE  67  -0.713  11.085   2.817
   35   1HD1  ILE  67          1HD1      ILE  67  -1.396  12.123   6.923
   36   2HD1  ILE  67          2HD1      ILE  67  -0.534  12.539   5.440
   37   3HD1  ILE  67          3HD1      ILE  67  -2.298  12.466   5.446
   38    H    ALA  68           HN       ALA  68  -2.069   8.424   2.328
   39    HA   ALA  68           HA       ALA  68  -0.523   7.515   0.194
   40   1HB   ALA  68          1HB       ALA  68  -2.473   7.355  -0.855
   41   2HB   ALA  68          2HB       ALA  68  -3.206   7.971   0.626
   42   3HB   ALA  68          3HB       ALA  68  -2.802   9.078  -0.687
   43    H    LEU  69           HN       LEU  69   0.307   8.494  -1.640
   44    HA   LEU  69           HA       LEU  69   1.051  11.300  -1.262
   45   1HB   LEU  69          2HB       LEU  69   2.229   9.081  -2.920
   46   2HB   LEU  69          3HB       LEU  69   2.747  10.752  -3.068
   47    HG   LEU  69           HG       LEU  69   2.996   8.983  -0.631
   48   1HD1  LEU  69          1HD1      LEU  69   5.446   9.574  -0.990
   49   2HD1  LEU  69          2HD1      LEU  69   4.724   8.439  -2.128
   50   3HD1  LEU  69          3HD1      LEU  69   4.969  10.123  -2.595
   51   1HD2  LEU  69          1HD2      LEU  69   2.459  11.175   0.152
   52   2HD2  LEU  69          2HD2      LEU  69   4.195  10.938   0.357
   53   3HD2  LEU  69          3HD2      LEU  69   3.591  11.917  -0.980
   54    H    HIS  70           HN       HIS  70  -0.813   9.211  -3.281
   55    HA   HIS  70           HA       HIS  70  -1.694  11.517  -4.827
   56   1HB   HIS  70          2HB       HIS  70  -1.647   9.725  -6.850
   57   2HB   HIS  70          3HB       HIS  70  -0.369  10.890  -6.553
   58    HD1  HIS  70           1HD      HIS  70  -0.800   7.454  -7.240
   59    HD2  HIS  70           2HD      HIS  70   1.710   9.622  -4.745
   60    HE1  HIS  70           1HE      HIS  70   1.120   5.914  -6.719
   61    HE2  HIS  70           2HE      HIS  70   2.574   7.213  -5.122
   62    H    SER  71           HN       SER  71  -3.453  10.516  -6.512
   63    HA   SER  71           HA       SER  71  -5.485   9.414  -4.776
   64   1HB   SER  71          2HB       SER  71  -6.019   9.735  -7.681
   65   2HB   SER  71          3HB       SER  71  -7.006  10.198  -6.296
   66    HG   SER  71           HG       SER  71  -4.906  11.583  -7.535
   67    H    TYR  72           HN       TYR  72  -5.981   7.326  -4.605
   68    HA   TYR  72           HA       TYR  72  -4.821   5.481  -6.581
   69   1HB   TYR  72          2HB       TYR  72  -4.181   5.157  -4.199
   70   2HB   TYR  72          3HB       TYR  72  -5.865   4.827  -3.824
   71    HD1  TYR  72           1HD      TYR  72  -3.729   3.704  -6.674
   72    HD2  TYR  72           2HD      TYR  72  -6.021   2.583  -3.274
   73    HE1  TYR  72           1HE      TYR  72  -3.404   1.336  -7.245
   74    HE2  TYR  72           2HE      TYR  72  -5.698   0.211  -3.829
   75    HH   TYR  72           HH       TYR  72  -4.772  -0.880  -6.735
   76    H    GLU  73           HN       GLU  73  -5.974   3.841  -7.513
   77    HA   GLU  73           HA       GLU  73  -8.859   3.760  -7.102
   78   1HB   GLU  73          2HB       GLU  73  -7.533   4.800  -9.372
   79   2HB   GLU  73          3HB       GLU  73  -8.345   3.323  -9.846
   80   1HG   GLU  73          2HG       GLU  73 -10.449   4.162  -9.168
   81   2HG   GLU  73          3HG       GLU  73  -9.699   5.521  -8.331
   82    HA   PRO  74           HA       PRO  74  -7.256  -0.452  -6.322
   83   1HB   PRO  74          2HB       PRO  74 -10.054  -1.150  -6.243
   84   2HB   PRO  74          3HB       PRO  74  -8.897  -1.071  -4.914
   85   1HG   PRO  74          2HG       PRO  74 -10.873   0.923  -5.790
   86   2HG   PRO  74          3HG       PRO  74 -10.081   0.733  -4.217
   87   1HD   PRO  74          2HD       PRO  74  -9.469   2.766  -5.898
   88   2HD   PRO  74          3HD       PRO  74  -8.249   2.001  -4.854
   89    H    SER  75           HN       SER  75  -6.588  -1.653  -7.948
   90    HA   SER  75           HA       SER  75  -8.407  -2.131 -10.216
   91   1HB   SER  75          2HB       SER  75  -5.378  -2.086 -10.224
   92   2HB   SER  75          3HB       SER  75  -6.403  -2.427 -11.618
   93    HG   SER  75           HG       SER  75  -5.630  -0.056 -10.645
   94    H    HIS  76           HN       HIS  76  -6.099  -3.518  -7.963
   95    HA   HIS  76           HA       HIS  76  -6.391  -6.186  -9.043
   96   1HB   HIS  76          2HB       HIS  76  -4.735  -4.890  -6.945
   97   2HB   HIS  76          3HB       HIS  76  -5.108  -6.595  -6.709
   98    HD1  HIS  76           1HD      HIS  76  -2.926  -4.328  -8.588
   99    HD2  HIS  76           2HD      HIS  76  -4.142  -8.293  -8.846
  100    HE1  HIS  76           1HE      HIS  76  -1.298  -5.430 -10.155
  101    HE2  HIS  76           2HE      HIS  76  -2.110  -7.806 -10.368
  102    H    ASP  77           HN       ASP  77  -6.891  -7.987  -7.418
  103    HA   ASP  77           HA       ASP  77  -9.512  -7.478  -6.346
  104   1HB   ASP  77          2HB       ASP  77  -9.424  -9.917  -5.743
  105   2HB   ASP  77          3HB       ASP  77  -9.173  -9.580  -7.453
  106    H    GLY  78           HN       GLY  78 -10.158  -7.528  -4.205
  107   1HA   GLY  78          1HA       GLY  78  -9.965  -7.257  -1.928
  108   2HA   GLY  78          2HA       GLY  78  -8.532  -8.268  -2.031
  109    H    ASP  79           HN       ASP  79  -8.977  -5.170  -3.654
  110    HA   ASP  79           HA       ASP  79  -6.697  -4.148  -2.117
  111   1HB   ASP  79          2HB       ASP  79  -7.812  -3.337  -4.802
  112   2HB   ASP  79          3HB       ASP  79  -6.527  -2.464  -3.974
  113    H    LEU  80           HN       LEU  80  -6.696  -1.949  -1.432
  114    HA   LEU  80           HA       LEU  80  -9.394  -0.942  -0.827
  115   1HB   LEU  80          2HB       LEU  80  -8.528  -1.349   1.257
  116   2HB   LEU  80          3HB       LEU  80  -6.875  -1.098   0.743
  117    HG   LEU  80           HG       LEU  80  -7.553   1.406   0.609
  118   1HD1  LEU  80          1HD1      LEU  80  -9.779   1.626   0.966
  119   2HD1  LEU  80          2HD1      LEU  80  -9.876   0.170   1.955
  120   3HD1  LEU  80          3HD1      LEU  80  -9.257   1.668   2.651
  121   1HD2  LEU  80          1HD2      LEU  80  -6.846  -0.279   2.924
  122   2HD2  LEU  80          2HD2      LEU  80  -5.981   1.075   2.198
  123   3HD2  LEU  80          3HD2      LEU  80  -7.346   1.375   3.274
  124    H    GLY  81           HN       GLY  81  -9.954   0.981  -1.639
  125   1HA   GLY  81          1HA       GLY  81  -7.914   2.506  -3.072
  126   2HA   GLY  81          2HA       GLY  81  -9.647   2.708  -3.235
  127    H    PHE  82           HN       PHE  82  -7.421   4.624  -2.683
  128    HA   PHE  82           HA       PHE  82  -8.744   5.981  -0.470
  129   1HB   PHE  82          2HB       PHE  82  -6.350   6.609   0.347
  130   2HB   PHE  82          3HB       PHE  82  -7.049   5.067   0.818
  131    HD1  PHE  82           1HD      PHE  82  -6.466   3.040  -0.719
  132    HD2  PHE  82           2HD      PHE  82  -4.255   6.666  -0.593
  133    HE1  PHE  82           1HE      PHE  82  -4.515   1.882  -1.671
  134    HE2  PHE  82           2HE      PHE  82  -2.294   5.511  -1.541
  135    HZ   PHE  82           HZ       PHE  82  -2.427   3.115  -2.079
  136    H    GLU  83           HN       GLU  83  -7.509   8.213  -0.173
  137    HA   GLU  83           HA       GLU  83  -7.309   9.342  -2.883
  138   1HB   GLU  83          2HB       GLU  83  -8.677  10.154  -0.449
  139   2HB   GLU  83          3HB       GLU  83  -7.681  11.441  -1.106
  140   1HG   GLU  83          2HG       GLU  83  -8.981  10.424  -3.316
  141   2HG   GLU  83          3HG       GLU  83 -10.199  10.371  -2.043
  142    H    LYS  84           HN       LYS  84  -6.033  11.528  -2.795
  143    HA   LYS  84           HA       LYS  84  -3.357  10.869  -2.013
  144   1HB   LYS  84          2HB       LYS  84  -3.402  12.097  -3.975
  145   2HB   LYS  84          3HB       LYS  84  -4.679  13.155  -3.408
  146   1HG   LYS  84          2HG       LYS  84  -2.800  13.940  -1.721
  147   2HG   LYS  84          3HG       LYS  84  -1.741  13.311  -2.981
  148   1HD   LYS  84          2HD       LYS  84  -3.934  14.999  -3.949
  149   2HD   LYS  84          3HD       LYS  84  -2.763  15.830  -2.923
  150   1HE   LYS  84          2HE       LYS  84  -1.349  14.172  -4.758
  151   2HE   LYS  84          3HE       LYS  84  -2.528  15.125  -5.659
  152   1HZ   LYS  84          1HZ       LYS  84  -0.509  16.354  -5.518
  153   2HZ   LYS  84          2HZ       LYS  84  -0.420  16.151  -3.841
  154   3HZ   LYS  84          3HZ       LYS  84  -1.637  17.116  -4.512
  155    H    GLY  85           HN       GLY  85  -2.305  11.435  -0.199
  156   1HA   GLY  85          1HA       GLY  85  -1.835  12.578   1.780
  157   2HA   GLY  85          2HA       GLY  85  -3.209  13.639   1.462
  158    H    GLU  86           HN       GLU  86  -4.563  10.776   0.996
  159    HA   GLU  86           HA       GLU  86  -6.016  10.705   3.373
  160   1HB   GLU  86          2HB       GLU  86  -6.227   9.496   0.947
  161   2HB   GLU  86          3HB       GLU  86  -5.649   8.156   1.918
  162   1HG   GLU  86          2HG       GLU  86  -8.265   9.045   1.605
  163   2HG   GLU  86          3HG       GLU  86  -7.674   7.787   2.669
  164    H    GLN  87           HN       GLN  87  -6.069   8.808   4.874
  165    HA   GLN  87           HA       GLN  87  -3.341   7.850   5.405
  166   1HB   GLN  87          2HB       GLN  87  -5.307   8.455   7.592
  167   2HB   GLN  87          3HB       GLN  87  -3.582   8.169   7.728
  168   1HG   GLN  87          2HG       GLN  87  -3.048  10.284   7.250
  169   2HG   GLN  87          3HG       GLN  87  -4.316  10.441   6.040
  170   1HE2  GLN  87          1HE2      GLN  87  -3.636  10.510   9.481
  171   2HE2  GLN  87          2HE2      GLN  87  -4.997  11.477   9.923
  172    H    LEU  88           HN       LEU  88  -3.098   5.854   6.219
  173    HA   LEU  88           HA       LEU  88  -5.419   4.141   6.632
  174   1HB   LEU  88          2HB       LEU  88  -3.306   2.983   4.915
  175   2HB   LEU  88          3HB       LEU  88  -5.023   2.645   4.961
  176    HG   LEU  88           HG       LEU  88  -4.420   5.312   3.931
  177   1HD1  LEU  88          1HD1      LEU  88  -3.122   4.849   2.150
  178   2HD1  LEU  88          2HD1      LEU  88  -2.523   3.564   3.204
  179   3HD1  LEU  88          3HD1      LEU  88  -3.748   3.208   1.984
  180   1HD2  LEU  88          1HD2      LEU  88  -6.612   4.137   3.867
  181   2HD2  LEU  88          2HD2      LEU  88  -6.039   4.676   2.285
  182   3HD2  LEU  88          3HD2      LEU  88  -5.895   2.974   2.742
  183    H    ARG  89           HN       ARG  89  -5.081   2.838   8.281
  184    HA   ARG  89           HA       ARG  89  -2.499   2.772   9.526
  185   1HB   ARG  89          2HB       ARG  89  -4.327   2.937  11.014
  186   2HB   ARG  89          3HB       ARG  89  -5.203   1.640  10.211
  187   1HG   ARG  89          2HG       ARG  89  -3.640   0.025  11.021
  188   2HG   ARG  89          3HG       ARG  89  -2.636   1.293  11.708
  189   1HD   ARG  89          2HD       ARG  89  -4.757   1.950  13.004
  190   2HD   ARG  89          3HD       ARG  89  -5.321   0.337  12.604
  191    HE   ARG  89           HE       ARG  89  -2.696   0.455  13.806
  192   1HH1  ARG  89          2HH1      ARG  89  -6.129   0.143  14.374
  193   2HH1  ARG  89          1HH1      ARG  89  -5.930  -0.626  15.911
  194   1HH2  ARG  89          2HH2      ARG  89  -2.437  -0.557  15.830
  195   2HH2  ARG  89          1HH2      ARG  89  -3.836  -1.023  16.739
  196    H    ILE  90           HN       ILE  90  -1.060   1.563   8.523
  197    HA   ILE  90           HA       ILE  90  -1.567  -0.619   6.876
  198    HB   ILE  90           HB       ILE  90   1.018  -0.126   8.355
  199   1HG1  ILE  90          2HG1      ILE  90   0.200   1.900   7.197
  200   2HG1  ILE  90          3HG1      ILE  90   1.675   1.281   6.488
  201   1HG2  ILE  90          1HG2      ILE  90   0.315  -2.210   6.729
  202   2HG2  ILE  90          2HG2      ILE  90   1.087  -1.090   5.605
  203   3HG2  ILE  90          3HG2      ILE  90   1.963  -1.655   7.028
  204   1HD1  ILE  90          1HD1      ILE  90  -0.842   1.795   5.259
  205   2HD1  ILE  90          2HD1      ILE  90   0.678   1.296   4.518
  206   3HD1  ILE  90          3HD1      ILE  90  -0.457   0.081   5.104
  207    H    LEU  91           HN       LEU  91  -2.420  -2.442   7.372
  208    HA   LEU  91           HA       LEU  91  -2.267  -3.615  10.001
  209   1HB   LEU  91          2HB       LEU  91  -3.314  -4.896   7.484
  210   2HB   LEU  91          3HB       LEU  91  -3.776  -5.241   9.139
  211    HG   LEU  91           HG       LEU  91  -4.386  -2.707   7.625
  212   1HD1  LEU  91          1HD1      LEU  91  -5.996  -5.144   8.213
  213   2HD1  LEU  91          2HD1      LEU  91  -6.780  -3.572   8.034
  214   3HD1  LEU  91          3HD1      LEU  91  -5.827  -4.240   6.709
  215   1HD2  LEU  91          1HD2      LEU  91  -4.388  -3.303  10.443
  216   2HD2  LEU  91          2HD2      LEU  91  -4.675  -1.771   9.618
  217   3HD2  LEU  91          3HD2      LEU  91  -6.010  -2.891   9.886
  218    H    GLU  92           HN       GLU  92  -1.183  -4.327   6.742
  219    HA   GLU  92           HA       GLU  92   1.135  -5.731   7.788
  220   1HB   GLU  92          2HB       GLU  92  -1.087  -7.082   6.577
  221   2HB   GLU  92          3HB       GLU  92   0.321  -7.223   5.531
  222   1HG   GLU  92          2HG       GLU  92   1.101  -8.829   6.826
  223   2HG   GLU  92          3HG       GLU  92   1.225  -7.664   8.148
  224    H    GLN  93           HN       GLN  93   2.877  -5.855   6.235
  225    HA   GLN  93           HA       GLN  93   2.507  -4.172   3.880
  226   1HB   GLN  93          2HB       GLN  93   4.925  -3.311   4.650
  227   2HB   GLN  93          3HB       GLN  93   3.432  -2.500   5.085
  228   1HG   GLN  93          2HG       GLN  93   3.393  -3.740   7.175
  229   2HG   GLN  93          3HG       GLN  93   4.900  -4.500   6.723
  230   1HE2  GLN  93          1HE2      GLN  93   3.482  -1.898   8.283
  231   2HE2  GLN  93          2HE2      GLN  93   4.893  -0.925   8.504
  232    H    SER  94           HN       SER  94   2.750  -6.978   3.981
  233    HA   SER  94           HA       SER  94   5.474  -7.616   3.251
  234   1HB   SER  94          2HB       SER  94   4.811  -9.604   4.018
  235   2HB   SER  94          3HB       SER  94   3.129  -9.090   4.059
  236    HG   SER  94           HG       SER  94   4.531 -10.144   1.824
  237    H    GLY  95           HN       GLY  95   6.267  -7.722   1.249
  238   1HA   GLY  95          1HA       GLY  95   6.345  -7.751  -1.065
  239   2HA   GLY  95          2HA       GLY  95   4.649  -8.191  -1.058
  240    H    GLU  96           HN       GLU  96   5.630  -6.589  -2.962
  241    HA   GLU  96           HA       GLU  96   5.701  -3.875  -2.691
  242   1HB   GLU  96          2HB       GLU  96   6.080  -4.391  -4.847
  243   2HB   GLU  96          3HB       GLU  96   4.988  -5.769  -4.803
  244   1HG   GLU  96          2HG       GLU  96   3.116  -4.385  -5.072
  245   2HG   GLU  96          3HG       GLU  96   4.093  -2.926  -4.926
  246    H    TRP  97           HN       TRP  97   2.956  -5.914  -2.182
  247    HA   TRP  97           HA       TRP  97   1.198  -3.561  -2.139
  248   1HB   TRP  97          2HB       TRP  97   0.649  -6.497  -2.503
  249   2HB   TRP  97          3HB       TRP  97  -0.629  -5.357  -2.095
  250    HD1  TRP  97           1HD      TRP  97   1.740  -6.298  -4.951
  251    HE1  TRP  97           1HE      TRP  97   0.905  -5.184  -7.117
  252    HE3  TRP  97           3HE      TRP  97  -1.987  -3.409  -2.990
  253    HZ2  TRP  97           2HZ      TRP  97  -1.074  -3.319  -7.888
  254    HZ3  TRP  97           3HZ      TRP  97  -3.299  -1.987  -4.498
  255    HH2  TRP  97           2HH      TRP  97  -2.851  -1.939  -6.897
  256    H    TRP  98           HN       TRP  98   0.696  -2.750  -0.215
  257    HA   TRP  98           HA       TRP  98   1.087  -4.416   2.166
  258   1HB   TRP  98          2HB       TRP  98   1.004  -1.427   1.793
  259   2HB   TRP  98          3HB       TRP  98   1.025  -2.204   3.367
  260    HD1  TRP  98           1HD      TRP  98   3.162  -4.235   1.239
  261    HE1  TRP  98           1HE      TRP  98   5.646  -3.644   1.582
  262    HE3  TRP  98           3HE      TRP  98   2.578   0.163   3.723
  263    HZ2  TRP  98           2HZ      TRP  98   7.158  -1.552   2.755
  264    HZ3  TRP  98           3HZ      TRP  98   4.578   1.417   4.423
  265    HH2  TRP  98           2HH      TRP  98   6.825   0.572   3.951
  266    H    LYS  99           HN       LYS  99  -0.455  -4.668   3.713
  267    HA   LYS  99           HA       LYS  99  -3.198  -4.124   2.910
  268   1HB   LYS  99          2HB       LYS  99  -2.701  -6.355   3.767
  269   2HB   LYS  99          3HB       LYS  99  -2.043  -5.665   5.241
  270   1HG   LYS  99          2HG       LYS  99  -4.435  -6.649   5.251
  271   2HG   LYS  99          3HG       LYS  99  -4.116  -5.127   6.085
  272   1HD   LYS  99          2HD       LYS  99  -5.121  -3.862   4.447
  273   2HD   LYS  99          3HD       LYS  99  -5.026  -5.148   3.241
  274   1HE   LYS  99          2HE       LYS  99  -6.543  -6.061   5.489
  275   2HE   LYS  99          3HE       LYS  99  -7.179  -4.509   4.950
  276   1HZ   LYS  99          1HZ       LYS  99  -8.286  -5.733   3.465
  277   2HZ   LYS  99          2HZ       LYS  99  -7.289  -7.083   3.666
  278   3HZ   LYS  99          3HZ       LYS  99  -6.818  -5.834   2.629
  279    H    ALA 100           HN       ALA 100  -4.045  -2.202   3.467
  280    HA   ALA 100           HA       ALA 100  -3.224  -1.056   6.057
  281   1HB   ALA 100          1HB       ALA 100  -2.592   0.103   3.769
  282   2HB   ALA 100          2HB       ALA 100  -4.237   0.733   3.910
  283   3HB   ALA 100          3HB       ALA 100  -3.059   1.043   5.188
  284    H    GLN 101           HN       GLN 101  -4.750  -0.093   7.338
  285    HA   GLN 101           HA       GLN 101  -7.535  -0.598   6.539
  286   1HB   GLN 101          2HB       GLN 101  -7.017  -1.865   8.511
  287   2HB   GLN 101          3HB       GLN 101  -6.283  -0.479   9.292
  288   1HG   GLN 101          2HG       GLN 101  -8.565   0.578   9.098
  289   2HG   GLN 101          3HG       GLN 101  -9.178  -1.016   8.733
  290   1HE2  GLN 101          1HE2      GLN 101  -7.575   0.959  11.140
  291   2HE2  GLN 101          2HE2      GLN 101  -7.978  -0.025  12.500
  292    H    SER 102           HN       SER 102  -8.410   1.203   5.825
  293    HA   SER 102           HA       SER 102  -7.439   3.756   6.060
  294   1HB   SER 102          2HB       SER 102  -9.850   2.468   5.151
  295   2HB   SER 102          3HB       SER 102 -10.217   3.985   5.932
  296    HG   SER 102           HG       SER 102  -8.749   5.012   4.536
  297    H    LEU 103           HN       LEU 103  -8.557   5.609   7.208
  298    HA   LEU 103           HA       LEU 103  -9.281   4.765   9.937
  299   1HB   LEU 103          2HB       LEU 103  -7.380   6.896   9.050
  300   2HB   LEU 103          3HB       LEU 103  -8.103   6.905  10.645
  301    HG   LEU 103           HG       LEU 103  -7.195   4.339  10.493
  302   1HD1  LEU 103          1HD1      LEU 103  -5.378   6.077   8.870
  303   2HD1  LEU 103          2HD1      LEU 103  -4.823   4.605   9.668
  304   3HD1  LEU 103          3HD1      LEU 103  -6.090   4.521   8.444
  305   1HD2  LEU 103          1HD2      LEU 103  -5.698   4.896  12.143
  306   2HD2  LEU 103          2HD2      LEU 103  -5.310   6.460  11.416
  307   3HD2  LEU 103          3HD2      LEU 103  -6.853   6.230  12.240
  308    H    THR 104           HN       THR 104  -9.936   6.852   7.282
  309    HA   THR 104           HA       THR 104 -11.741   8.550   8.768
  310    HB   THR 104           HB       THR 104 -11.633   8.330   5.774
  311    HG1  THR 104           1HG      THR 104  -9.804   9.810   7.354
  312   1HG2  THR 104          1HG2      THR 104 -12.183  10.507   7.733
  313   2HG2  THR 104          2HG2      THR 104 -13.222   9.875   6.452
  314   3HG2  THR 104          3HG2      THR 104 -11.799  10.837   6.044
  315    H    THR 105           HN       THR 105 -11.793   5.901   6.525
  316    HA   THR 105           HA       THR 105 -14.691   5.510   6.853
  317    HB   THR 105           HB       THR 105 -14.721   4.679   4.731
  318    HG1  THR 105           1HG      THR 105 -12.777   3.779   3.742
  319   1HG2  THR 105          1HG2      THR 105 -13.906   6.935   4.440
  320   2HG2  THR 105          2HG2      THR 105 -13.218   5.867   3.214
  321   3HG2  THR 105          3HG2      THR 105 -12.246   6.360   4.602
  322    H    GLY 106           HN       GLY 106 -11.557   4.120   6.959
  323   1HA   GLY 106          1HA       GLY 106 -10.660   2.471   8.198
  324   2HA   GLY 106          2HA       GLY 106 -12.238   2.093   8.830
  325    H    GLN 107           HN       GLN 107 -12.540   2.175   5.541
  326    HA   GLN 107           HA       GLN 107 -13.036  -0.481   5.193
  327   1HB   GLN 107          2HB       GLN 107 -12.373   1.767   3.413
  328   2HB   GLN 107          3HB       GLN 107 -12.402   0.154   2.724
  329   1HG   GLN 107          2HG       GLN 107 -14.582   0.488   2.479
  330   2HG   GLN 107          3HG       GLN 107 -14.661   0.194   4.214
  331   1HE2  GLN 107          1HE2      GLN 107 -14.284   2.748   1.806
  332   2HE2  GLN 107          2HE2      GLN 107 -15.055   3.984   2.736
  333    H    GLU 108           HN       GLU 108 -11.843  -2.211   5.198
  334    HA   GLU 108           HA       GLU 108  -8.949  -1.965   5.152
  335   1HB   GLU 108          2HB       GLU 108 -10.708  -4.362   5.643
  336   2HB   GLU 108          3HB       GLU 108  -8.966  -4.343   5.796
  337   1HG   GLU 108          2HG       GLU 108  -9.083  -3.549   7.842
  338   2HG   GLU 108          3HG       GLU 108 -10.124  -2.222   7.339
  339    H    GLY 109           HN       GLY 109  -7.573  -2.990   3.728
  340   1HA   GLY 109          1HA       GLY 109  -8.226  -4.789   1.724
  341   2HA   GLY 109          2HA       GLY 109  -8.476  -3.190   1.043
  342    H    PHE 110           HN       PHE 110  -6.686  -4.523  -0.263
  343    HA   PHE 110           HA       PHE 110  -4.039  -4.133   0.848
  344   1HB   PHE 110          2HB       PHE 110  -5.238  -5.655  -1.373
  345   2HB   PHE 110          3HB       PHE 110  -3.642  -5.005  -1.694
  346    HD1  PHE 110           1HD      PHE 110  -5.254  -6.501   1.318
  347    HD2  PHE 110           2HD      PHE 110  -2.042  -6.636  -1.473
  348    HE1  PHE 110           1HE      PHE 110  -4.253  -8.372   2.565
  349    HE2  PHE 110           2HE      PHE 110  -1.036  -8.508  -0.231
  350    HZ   PHE 110           HZ       PHE 110  -2.142  -9.378   1.790
  351    H    ILE 111           HN       ILE 111  -2.559  -2.649   0.123
  352    HA   ILE 111           HA       ILE 111  -3.415  -0.824  -2.019
  353    HB   ILE 111           HB       ILE 111  -2.580   1.100  -0.737
  354   1HG1  ILE 111          2HG1      ILE 111  -2.532  -0.578   1.745
  355   2HG1  ILE 111          3HG1      ILE 111  -1.125  -0.541   0.694
  356   1HG2  ILE 111          1HG2      ILE 111  -4.989   0.234  -0.665
  357   2HG2  ILE 111          2HG2      ILE 111  -4.607  -0.290   0.976
  358   3HG2  ILE 111          3HG2      ILE 111  -4.492   1.417   0.544
  359   1HD1  ILE 111          1HD1      ILE 111  -1.504   2.069   0.921
  360   2HD1  ILE 111          2HD1      ILE 111  -2.232   1.556   2.443
  361   3HD1  ILE 111          3HD1      ILE 111  -0.558   1.135   2.081
  362    HA   PRO 112           HA       PRO 112   0.598  -1.253  -3.734
  363   1HB   PRO 112          2HB       PRO 112   0.879   1.381  -4.595
  364   2HB   PRO 112          3HB       PRO 112   0.101   0.084  -5.505
  365   1HG   PRO 112          2HG       PRO 112  -1.125   2.230  -3.856
  366   2HG   PRO 112          3HG       PRO 112  -1.717   1.472  -5.333
  367   1HD   PRO 112          2HD       PRO 112  -2.715   0.886  -2.911
  368   2HD   PRO 112          3HD       PRO 112  -2.617  -0.306  -4.211
  369    H    PHE 113           HN       PHE 113   2.266  -1.452  -2.328
  370    HA   PHE 113           HA       PHE 113   2.730   0.101  -0.092
  371   1HB   PHE 113          2HB       PHE 113   4.663  -1.116   0.227
  372   2HB   PHE 113          3HB       PHE 113   3.757  -2.178  -0.844
  373    HD1  PHE 113           1HD      PHE 113   6.885  -1.562  -0.208
  374    HD2  PHE 113           2HD      PHE 113   4.222  -0.915  -3.463
  375    HE1  PHE 113           1HE      PHE 113   8.790  -1.578  -1.764
  376    HE2  PHE 113           2HE      PHE 113   6.122  -0.930  -5.026
  377    HZ   PHE 113           HZ       PHE 113   8.409  -1.262  -4.177
  378    H    ASN 114           HN       ASN 114   3.458   0.873  -3.375
  379    HA   ASN 114           HA       ASN 114   5.303   2.998  -2.566
  380   1HB   ASN 114          2HB       ASN 114   5.567   3.279  -5.078
  381   2HB   ASN 114          3HB       ASN 114   6.150   1.761  -4.406
  382   1HD2  ASN 114          1HD2      ASN 114   5.957   0.614  -6.288
  383   2HD2  ASN 114          2HD2      ASN 114   4.435   0.208  -6.995
  384    H    PHE 115           HN       PHE 115   2.469   3.128  -1.956
  385    HA   PHE 115           HA       PHE 115   1.704   5.482  -3.566
  386   1HB   PHE 115          2HB       PHE 115   0.325   3.098  -3.239
  387   2HB   PHE 115          3HB       PHE 115  -0.469   4.188  -2.118
  388    HD1  PHE 115           1HD      PHE 115  -1.344   6.399  -3.025
  389    HD2  PHE 115           2HD      PHE 115  -0.144   3.163  -5.512
  390    HE1  PHE 115           1HE      PHE 115  -2.692   7.312  -4.861
  391    HE2  PHE 115           2HE      PHE 115  -1.488   4.075  -7.353
  392    HZ   PHE 115           HZ       PHE 115  -2.763   6.156  -7.034
  393    H    VAL 116           HN       VAL 116   2.084   4.117  -0.377
  394    HA   VAL 116           HA       VAL 116   1.110   6.629   0.801
  395    HB   VAL 116           HB       VAL 116   0.847   5.342   2.905
  396   1HG1  VAL 116          1HG1      VAL 116  -0.669   4.870   0.423
  397   2HG1  VAL 116          2HG1      VAL 116  -1.019   3.795   1.776
  398   3HG1  VAL 116          3HG1      VAL 116  -1.193   5.539   1.968
  399   1HG2  VAL 116          1HG2      VAL 116   2.352   3.531   2.680
  400   2HG2  VAL 116          2HG2      VAL 116   0.740   2.819   2.615
  401   3HG2  VAL 116          3HG2      VAL 116   1.661   3.051   1.130
  402    H    ALA 117           HN       ALA 117   2.196   7.635   2.437
  403    HA   ALA 117           HA       ALA 117   4.904   6.730   3.094
  404   1HB   ALA 117          1HB       ALA 117   5.212   9.456   2.955
  405   2HB   ALA 117          2HB       ALA 117   5.747   8.305   1.731
  406   3HB   ALA 117          3HB       ALA 117   4.190   9.116   1.559
  407    H    LYS 118           HN       LYS 118   5.513   7.215   5.195
  408    HA   LYS 118           HA       LYS 118   3.745   7.339   7.212
  409   1HB   LYS 118          2HB       LYS 118   6.452   8.680   7.165
  410   2HB   LYS 118          3HB       LYS 118   5.529   8.350   8.625
  411   1HG   LYS 118          2HG       LYS 118   6.755   6.372   6.727
  412   2HG   LYS 118          3HG       LYS 118   7.136   6.633   8.431
  413   1HD   LYS 118          2HD       LYS 118   4.884   5.861   9.034
  414   2HD   LYS 118          3HD       LYS 118   4.537   5.571   7.329
  415   1HE   LYS 118          2HE       LYS 118   5.228   3.479   7.798
  416   2HE   LYS 118          3HE       LYS 118   6.836   4.176   7.615
  417   1HZ   LYS 118          1HZ       LYS 118   6.519   4.696  10.135
  418   2HZ   LYS 118          2HZ       LYS 118   7.020   3.159   9.636
  419   3HZ   LYS 118          3HZ       LYS 118   5.405   3.424  10.062
  420    H    ALA 119           HN       ALA 119   2.549   8.780   8.342
  421    HA   ALA 119           HA       ALA 119   1.844  11.240   7.090
  422   1HB   ALA 119          1HB       ALA 119   1.007   9.827   9.578
  423   2HB   ALA 119          2HB       ALA 119   0.657  11.547   9.438
  424   3HB   ALA 119          3HB       ALA 119   0.034  10.427   8.229
  425    H    ASN 120           HN       ASN 120   4.435  11.608   7.316
  426    HA   ASN 120           HA       ASN 120   5.001  13.098   9.765
  427   1HB   ASN 120          2HB       ASN 120   6.593  11.410   8.463
  428   2HB   ASN 120          3HB       ASN 120   6.997  12.868   7.560
  429   1HD2  ASN 120          1HD2      ASN 120   8.935  11.638   8.963
  430   2HD2  ASN 120          2HD2      ASN 120   9.366  12.571  10.351
  Start of MODEL   10
    1    H    ASN  64           HN       ASN  64   1.230   3.032  12.926
    2    HA   ASN  64           HA       ASN  64   3.408   2.274  11.270
    3   1HB   ASN  64          2HB       ASN  64   1.333   0.208  11.911
    4   2HB   ASN  64          3HB       ASN  64   1.983   0.284  10.281
    5   1HD2  ASN  64          1HD2      ASN  64   2.274  -1.912  11.963
    6   2HD2  ASN  64          2HD2      ASN  64   3.951  -2.102  12.329
    7    H    LEU  65           HN       LEU  65   1.287   4.311  11.644
    8    HA   LEU  65           HA       LEU  65  -0.448   3.945   9.383
    9   1HB   LEU  65          2HB       LEU  65  -1.451   5.046  11.172
   10   2HB   LEU  65          3HB       LEU  65  -0.123   6.160  11.373
   11    HG   LEU  65           HG       LEU  65  -0.727   7.212   9.254
   12   1HD1  LEU  65          1HD1      LEU  65  -2.292   4.855   8.970
   13   2HD1  LEU  65          2HD1      LEU  65  -3.339   6.269   8.851
   14   3HD1  LEU  65          3HD1      LEU  65  -1.946   6.110   7.778
   15   1HD2  LEU  65          1HD2      LEU  65  -2.956   7.005  11.267
   16   2HD2  LEU  65          2HD2      LEU  65  -1.632   8.170  11.271
   17   3HD2  LEU  65          3HD2      LEU  65  -2.859   8.233  10.005
   18    H    VAL  66           HN       VAL  66  -0.459   4.966   7.546
   19    HA   VAL  66           HA       VAL  66   1.872   6.615   6.824
   20    HB   VAL  66           HB       VAL  66   1.470   5.635   4.512
   21   1HG1  VAL  66          1HG1      VAL  66   2.668   4.145   6.808
   22   2HG1  VAL  66          2HG1      VAL  66   2.758   3.512   5.163
   23   3HG1  VAL  66          3HG1      VAL  66   3.481   5.074   5.548
   24   1HG2  VAL  66          1HG2      VAL  66   0.539   3.341   4.504
   25   2HG2  VAL  66          2HG2      VAL  66   0.027   3.587   6.172
   26   3HG2  VAL  66          3HG2      VAL  66  -0.657   4.580   4.886
   27    H    ILE  67           HN       ILE  67   1.339   7.530   4.470
   28    HA   ILE  67           HA       ILE  67  -1.396   8.460   4.310
   29    HB   ILE  67           HB       ILE  67   0.739  10.155   5.291
   30   1HG1  ILE  67          2HG1      ILE  67  -2.232  10.350   4.902
   31   2HG1  ILE  67          3HG1      ILE  67  -1.368   9.990   6.367
   32   1HG2  ILE  67          1HG2      ILE  67   1.032  10.899   3.013
   33   2HG2  ILE  67          2HG2      ILE  67  -0.711  11.096   2.815
   34   3HG2  ILE  67          3HG2      ILE  67   0.176  12.146   3.920
   35   1HD1  ILE  67          1HD1      ILE  67  -2.306  12.473   5.446
   36   2HD1  ILE  67          2HD1      ILE  67  -1.408  12.125   6.924
   37   3HD1  ILE  67          3HD1      ILE  67  -0.542  12.544   5.445
   38    H    ALA  68           HN       ALA  68  -2.083   8.411   2.330
   39    HA   ALA  68           HA       ALA  68  -0.546   7.519   0.187
   40   1HB   ALA  68          1HB       ALA  68  -3.223   7.945   0.631
   41   2HB   ALA  68          2HB       ALA  68  -2.842   9.084  -0.661
   42   3HB   ALA  68          3HB       ALA  68  -2.496   7.369  -0.868
   43    H    LEU  69           HN       LEU  69   0.295   8.497  -1.637
   44    HA   LEU  69           HA       LEU  69   1.049  11.297  -1.256
   45   1HB   LEU  69          2HB       LEU  69   2.163   9.093  -2.979
   46   2HB   LEU  69          3HB       LEU  69   2.695  10.761  -3.110
   47    HG   LEU  69           HG       LEU  69   2.989   8.940  -0.718
   48   1HD1  LEU  69          1HD1      LEU  69   4.926  10.130  -2.688
   49   2HD1  LEU  69          2HD1      LEU  69   5.429   9.517  -1.114
   50   3HD1  LEU  69          3HD1      LEU  69   4.676   8.432  -2.282
   51   1HD2  LEU  69          1HD2      LEU  69   2.483  11.107   0.138
   52   2HD2  LEU  69          2HD2      LEU  69   4.226  10.872   0.280
   53   3HD2  LEU  69          3HD2      LEU  69   3.575  11.881  -1.012
   54    H    HIS  70           HN       HIS  70  -0.851   9.238  -3.287
   55    HA   HIS  70           HA       HIS  70  -1.784  11.573  -4.752
   56   1HB   HIS  70          2HB       HIS  70  -1.724   9.900  -6.848
   57   2HB   HIS  70          3HB       HIS  70  -0.418  11.014  -6.481
   58    HD1  HIS  70           1HD      HIS  70  -0.981   7.592  -7.272
   59    HD2  HIS  70           2HD      HIS  70   1.664   9.636  -4.811
   60    HE1  HIS  70           1HE      HIS  70   0.907   5.989  -6.840
   61    HE2  HIS  70           2HE      HIS  70   2.441   7.209  -5.256
   62    H    SER  71           HN       SER  71  -3.548  10.610  -6.446
   63    HA   SER  71           HA       SER  71  -5.553   9.443  -4.736
   64   1HB   SER  71          2HB       SER  71  -6.076   9.756  -7.644
   65   2HB   SER  71          3HB       SER  71  -7.081  10.196  -6.264
   66    HG   SER  71           HG       SER  71  -5.440  11.906  -5.919
   67    H    TYR  72           HN       TYR  72  -6.020   7.350  -4.566
   68    HA   TYR  72           HA       TYR  72  -4.813   5.518  -6.526
   69   1HB   TYR  72          2HB       TYR  72  -4.196   5.187  -4.149
   70   2HB   TYR  72          3HB       TYR  72  -5.883   4.870  -3.778
   71    HD1  TYR  72           1HD      TYR  72  -3.755   3.713  -6.620
   72    HD2  TYR  72           2HD      TYR  72  -6.043   2.631  -3.204
   73    HE1  TYR  72           1HE      TYR  72  -3.443   1.339  -7.171
   74    HE2  TYR  72           2HE      TYR  72  -5.733   0.253  -3.742
   75    HH   TYR  72           HH       TYR  72  -5.127  -0.972  -6.352
   76    H    GLU  73           HN       GLU  73  -5.930   3.886  -7.501
   77    HA   GLU  73           HA       GLU  73  -8.822   3.765  -7.132
   78   1HB   GLU  73          2HB       GLU  73  -7.464   4.814  -9.381
   79   2HB   GLU  73          3HB       GLU  73  -8.252   3.328  -9.866
   80   1HG   GLU  73          2HG       GLU  73 -10.376   4.147  -9.231
   81   2HG   GLU  73          3HG       GLU  73  -9.657   5.517  -8.385
   82    HA   PRO  74           HA       PRO  74  -7.195  -0.430  -6.304
   83   1HB   PRO  74          2HB       PRO  74  -9.995  -1.145  -6.312
   84   2HB   PRO  74          3HB       PRO  74  -8.875  -1.072  -4.953
   85   1HG   PRO  74          2HG       PRO  74 -10.832   0.923  -5.864
   86   2HG   PRO  74          3HG       PRO  74 -10.075   0.729  -4.275
   87   1HD   PRO  74          2HD       PRO  74  -9.434   2.771  -5.933
   88   2HD   PRO  74          3HD       PRO  74  -8.234   2.004  -4.865
   89    H    SER  75           HN       SER  75  -6.527  -1.743  -7.837
   90    HA   SER  75           HA       SER  75  -8.236  -2.181 -10.197
   91   1HB   SER  75          2HB       SER  75  -5.773  -2.822 -11.128
   92   2HB   SER  75          3HB       SER  75  -6.478  -1.212 -11.272
   93    HG   SER  75           HG       SER  75  -4.649  -2.143  -9.318
   94    H    HIS  76           HN       HIS  76  -5.894  -3.595  -7.963
   95    HA   HIS  76           HA       HIS  76  -6.326  -6.266  -8.985
   96   1HB   HIS  76          2HB       HIS  76  -4.529  -5.002  -6.984
   97   2HB   HIS  76          3HB       HIS  76  -4.941  -6.694  -6.717
   98    HD1  HIS  76           1HD      HIS  76  -4.517  -5.341 -10.185
   99    HD2  HIS  76           2HD      HIS  76  -2.395  -7.592  -7.410
  100    HE1  HIS  76           1HE      HIS  76  -2.556  -6.288 -11.444
  101    HE2  HIS  76           2HE      HIS  76  -1.326  -7.703  -9.763
  102    H    ASP  77           HN       ASP  77  -7.094  -8.026  -7.638
  103    HA   ASP  77           HA       ASP  77  -9.543  -7.417  -6.367
  104   1HB   ASP  77          2HB       ASP  77  -8.776  -9.607  -7.533
  105   2HB   ASP  77          3HB       ASP  77  -8.090 -10.017  -5.964
  106    H    GLY  78           HN       GLY  78 -10.159  -7.547  -4.197
  107   1HA   GLY  78          1HA       GLY  78  -9.919  -7.261  -1.929
  108   2HA   GLY  78          2HA       GLY  78  -8.472  -8.245  -2.064
  109    H    ASP  79           HN       ASP  79  -8.954  -5.169  -3.707
  110    HA   ASP  79           HA       ASP  79  -6.675  -4.113  -2.197
  111   1HB   ASP  79          2HB       ASP  79  -7.872  -3.321  -4.852
  112   2HB   ASP  79          3HB       ASP  79  -6.620  -2.385  -4.042
  113    H    LEU  80           HN       LEU  80  -6.692  -1.899  -1.520
  114    HA   LEU  80           HA       LEU  80  -9.392  -0.936  -0.849
  115   1HB   LEU  80          2HB       LEU  80  -8.514  -1.390   1.222
  116   2HB   LEU  80          3HB       LEU  80  -6.865  -1.108   0.710
  117    HG   LEU  80           HG       LEU  80  -7.622   1.396   0.622
  118   1HD1  LEU  80          1HD1      LEU  80  -9.860   1.463   1.061
  119   2HD1  LEU  80          2HD1      LEU  80  -9.805   0.055   2.121
  120   3HD1  LEU  80          3HD1      LEU  80  -9.232   1.619   2.703
  121   1HD2  LEU  80          1HD2      LEU  80  -6.744  -0.316   2.856
  122   2HD2  LEU  80          2HD2      LEU  80  -5.965   1.087   2.126
  123   3HD2  LEU  80          3HD2      LEU  80  -7.285   1.309   3.275
  124    H    GLY  81           HN       GLY  81  -9.962   0.960  -1.698
  125   1HA   GLY  81          1HA       GLY  81  -7.932   2.528  -3.086
  126   2HA   GLY  81          2HA       GLY  81  -9.665   2.722  -3.245
  127    H    PHE  82           HN       PHE  82  -7.413   4.618  -2.652
  128    HA   PHE  82           HA       PHE  82  -8.751   5.958  -0.432
  129   1HB   PHE  82          2HB       PHE  82  -6.355   6.607   0.365
  130   2HB   PHE  82          3HB       PHE  82  -7.038   5.059   0.837
  131    HD1  PHE  82           1HD      PHE  82  -6.428   3.028  -0.653
  132    HD2  PHE  82           2HD      PHE  82  -4.291   6.701  -0.652
  133    HE1  PHE  82           1HE      PHE  82  -4.473   1.891  -1.626
  134    HE2  PHE  82           2HE      PHE  82  -2.326   5.565  -1.618
  135    HZ   PHE  82           HZ       PHE  82  -2.421   3.157  -2.102
  136    H    GLU  83           HN       GLU  83  -7.563   8.204  -0.130
  137    HA   GLU  83           HA       GLU  83  -7.394   9.356  -2.832
  138   1HB   GLU  83          2HB       GLU  83  -8.733  10.140  -0.372
  139   2HB   GLU  83          3HB       GLU  83  -7.742  11.436  -1.022
  140   1HG   GLU  83          2HG       GLU  83  -9.065  10.453  -3.233
  141   2HG   GLU  83          3HG       GLU  83 -10.270  10.376  -1.950
  142    H    LYS  84           HN       LYS  84  -6.119  11.537  -2.756
  143    HA   LYS  84           HA       LYS  84  -3.431  10.879  -2.011
  144   1HB   LYS  84          2HB       LYS  84  -3.550  12.098  -3.991
  145   2HB   LYS  84          3HB       LYS  84  -4.763  13.194  -3.361
  146   1HG   LYS  84          2HG       LYS  84  -2.830  13.948  -1.767
  147   2HG   LYS  84          3HG       LYS  84  -1.803  13.219  -2.999
  148   1HD   LYS  84          2HD       LYS  84  -3.945  15.084  -3.873
  149   2HD   LYS  84          3HD       LYS  84  -2.512  15.766  -3.104
  150   1HE   LYS  84          2HE       LYS  84  -1.560  13.882  -4.947
  151   2HE   LYS  84          3HE       LYS  84  -2.849  14.754  -5.778
  152   1HZ   LYS  84          1HZ       LYS  84  -1.665  16.648  -5.809
  153   2HZ   LYS  84          2HZ       LYS  84  -0.336  15.617  -5.631
  154   3HZ   LYS  84          3HZ       LYS  84  -0.987  16.398  -4.279
  155    H    GLY  85           HN       GLY  85  -2.379  11.417  -0.195
  156   1HA   GLY  85          1HA       GLY  85  -1.873  12.575   1.772
  157   2HA   GLY  85          2HA       GLY  85  -3.249  13.639   1.467
  158    H    GLU  86           HN       GLU  86  -4.603  10.774   1.016
  159    HA   GLU  86           HA       GLU  86  -6.042  10.707   3.402
  160   1HB   GLU  86          2HB       GLU  86  -6.265   9.495   0.979
  161   2HB   GLU  86          3HB       GLU  86  -5.681   8.157   1.948
  162   1HG   GLU  86          2HG       GLU  86  -8.297   9.037   1.647
  163   2HG   GLU  86          3HG       GLU  86  -7.698   7.787   2.715
  164    H    GLN  87           HN       GLN  87  -6.083   8.814   4.906
  165    HA   GLN  87           HA       GLN  87  -3.353   7.854   5.421
  166   1HB   GLN  87          2HB       GLN  87  -5.308   8.462   7.617
  167   2HB   GLN  87          3HB       GLN  87  -3.585   8.167   7.748
  168   1HG   GLN  87          2HG       GLN  87  -3.039  10.279   7.261
  169   2HG   GLN  87          3HG       GLN  87  -4.319  10.445   6.064
  170   1HE2  GLN  87          1HE2      GLN  87  -4.370   9.682   9.523
  171   2HE2  GLN  87          2HE2      GLN  87  -5.423  10.975   9.972
  172    H    LEU  88           HN       LEU  88  -3.108   5.856   6.228
  173    HA   LEU  88           HA       LEU  88  -5.429   4.143   6.645
  174   1HB   LEU  88          2HB       LEU  88  -3.317   2.984   4.927
  175   2HB   LEU  88          3HB       LEU  88  -5.035   2.649   4.972
  176    HG   LEU  88           HG       LEU  88  -4.436   5.318   3.950
  177   1HD1  LEU  88          1HD1      LEU  88  -2.525   3.585   3.226
  178   2HD1  LEU  88          2HD1      LEU  88  -3.743   3.222   2.000
  179   3HD1  LEU  88          3HD1      LEU  88  -3.130   4.867   2.172
  180   1HD2  LEU  88          1HD2      LEU  88  -5.901   2.969   2.765
  181   2HD2  LEU  88          2HD2      LEU  88  -6.623   4.152   3.865
  182   3HD2  LEU  88          3HD2      LEU  88  -6.033   4.664   2.281
  183    H    ARG  89           HN       ARG  89  -5.095   2.836   8.287
  184    HA   ARG  89           HA       ARG  89  -2.516   2.768   9.540
  185   1HB   ARG  89          2HB       ARG  89  -4.351   2.932  11.021
  186   2HB   ARG  89          3HB       ARG  89  -5.222   1.634  10.215
  187   1HG   ARG  89          2HG       ARG  89  -3.664   0.020  11.032
  188   2HG   ARG  89          3HG       ARG  89  -2.661   1.288  11.720
  189   1HD   ARG  89          2HD       ARG  89  -4.796   1.944  13.006
  190   2HD   ARG  89          3HD       ARG  89  -5.343   0.323  12.613
  191    HE   ARG  89           HE       ARG  89  -2.724   0.478  13.825
  192   1HH1  ARG  89          2HH1      ARG  89  -6.154   0.113  14.372
  193   2HH1  ARG  89          1HH1      ARG  89  -5.953  -0.646  15.915
  194   1HH2  ARG  89          2HH2      ARG  89  -2.461  -0.520  15.856
  195   2HH2  ARG  89          1HH2      ARG  89  -3.859  -1.006  16.757
  196    H    ILE  90           HN       ILE  90  -1.075   1.561   8.539
  197    HA   ILE  90           HA       ILE  90  -1.577  -0.621   6.892
  198    HB   ILE  90           HB       ILE  90   1.001  -0.122   8.379
  199   1HG1  ILE  90          2HG1      ILE  90   0.174   1.893   7.200
  200   2HG1  ILE  90          3HG1      ILE  90   1.664   1.281   6.517
  201   1HG2  ILE  90          1HG2      ILE  90   1.918  -1.706   7.115
  202   2HG2  ILE  90          2HG2      ILE  90   0.274  -2.191   6.701
  203   3HG2  ILE  90          3HG2      ILE  90   1.154  -1.082   5.651
  204   1HD1  ILE  90          1HD1      ILE  90  -0.435   0.053   5.110
  205   2HD1  ILE  90          2HD1      ILE  90  -0.840   1.763   5.249
  206   3HD1  ILE  90          3HD1      ILE  90   0.695   1.276   4.532
  207    H    LEU  91           HN       LEU  91  -2.435  -2.441   7.388
  208    HA   LEU  91           HA       LEU  91  -2.291  -3.615  10.017
  209   1HB   LEU  91          2HB       LEU  91  -3.334  -4.888   7.492
  210   2HB   LEU  91          3HB       LEU  91  -3.798  -5.241   9.145
  211    HG   LEU  91           HG       LEU  91  -4.405  -2.697   7.644
  212   1HD1  LEU  91          1HD1      LEU  91  -5.984  -5.163   8.160
  213   2HD1  LEU  91          2HD1      LEU  91  -6.805  -3.601   8.085
  214   3HD1  LEU  91          3HD1      LEU  91  -5.867  -4.173   6.705
  215   1HD2  LEU  91          1HD2      LEU  91  -4.435  -3.327  10.460
  216   2HD2  LEU  91          2HD2      LEU  91  -4.689  -1.781   9.650
  217   3HD2  LEU  91          3HD2      LEU  91  -6.044  -2.885   9.888
  218    H    GLU  92           HN       GLU  92  -1.192  -4.313   6.762
  219    HA   GLU  92           HA       GLU  92   1.124  -5.721   7.805
  220   1HB   GLU  92          2HB       GLU  92  -1.099  -7.076   6.601
  221   2HB   GLU  92          3HB       GLU  92   0.307  -7.216   5.551
  222   1HG   GLU  92          2HG       GLU  92   1.093  -8.819   6.846
  223   2HG   GLU  92          3HG       GLU  92   1.212  -7.655   8.169
  224    H    GLN  93           HN       GLN  93   2.859  -5.858   6.232
  225    HA   GLN  93           HA       GLN  93   2.478  -4.184   3.876
  226   1HB   GLN  93          2HB       GLN  93   4.882  -3.291   4.628
  227   2HB   GLN  93          3HB       GLN  93   3.385  -2.499   5.079
  228   1HG   GLN  93          2HG       GLN  93   3.386  -3.747   7.169
  229   2HG   GLN  93          3HG       GLN  93   4.905  -4.474   6.699
  230   1HE2  GLN  93          1HE2      GLN  93   3.718  -1.151   6.482
  231   2HE2  GLN  93          2HE2      GLN  93   5.007  -0.443   7.388
  232    H    SER  94           HN       SER  94   2.747  -6.990   4.014
  233    HA   SER  94           HA       SER  94   5.473  -7.612   3.281
  234   1HB   SER  94          2HB       SER  94   4.828  -9.601   4.064
  235   2HB   SER  94          3HB       SER  94   3.142  -9.098   4.110
  236    HG   SER  94           HG       SER  94   2.792 -10.081   2.265
  237    H    GLY  95           HN       GLY  95   6.265  -7.723   1.279
  238   1HA   GLY  95          1HA       GLY  95   6.333  -7.788  -1.036
  239   2HA   GLY  95          2HA       GLY  95   4.633  -8.215  -1.019
  240    H    GLU  96           HN       GLU  96   5.600  -6.642  -2.944
  241    HA   GLU  96           HA       GLU  96   5.701  -3.925  -2.694
  242   1HB   GLU  96          2HB       GLU  96   6.064  -4.466  -4.846
  243   2HB   GLU  96          3HB       GLU  96   4.954  -5.831  -4.785
  244   1HG   GLU  96          2HG       GLU  96   3.099  -4.426  -5.052
  245   2HG   GLU  96          3HG       GLU  96   4.094  -2.979  -4.928
  246    H    TRP  97           HN       TRP  97   2.947  -5.940  -2.141
  247    HA   TRP  97           HA       TRP  97   1.206  -3.572  -2.104
  248   1HB   TRP  97          2HB       TRP  97   0.632  -6.503  -2.466
  249   2HB   TRP  97          3HB       TRP  97  -0.634  -5.359  -2.038
  250    HD1  TRP  97           1HD      TRP  97   1.711  -6.281  -4.923
  251    HE1  TRP  97           1HE      TRP  97   0.848  -5.163  -7.075
  252    HE3  TRP  97           3HE      TRP  97  -2.017  -3.425  -2.915
  253    HZ2  TRP  97           2HZ      TRP  97  -1.150  -3.309  -7.820
  254    HZ3  TRP  97           3HZ      TRP  97  -3.353  -2.005  -4.404
  255    HH2  TRP  97           2HH      TRP  97  -2.927  -1.946  -6.808
  256    H    TRP  98           HN       TRP  98   0.697  -2.757  -0.182
  257    HA   TRP  98           HA       TRP  98   1.087  -4.419   2.201
  258   1HB   TRP  98          2HB       TRP  98   1.003  -1.429   1.836
  259   2HB   TRP  98          3HB       TRP  98   1.049  -2.218   3.404
  260    HD1  TRP  98           1HD      TRP  98   3.162  -4.263   1.288
  261    HE1  TRP  98           1HE      TRP  98   5.648  -3.655   1.574
  262    HE3  TRP  98           3HE      TRP  98   2.602   0.190   3.675
  263    HZ2  TRP  98           2HZ      TRP  98   7.171  -1.527   2.670
  264    HZ3  TRP  98           3HZ      TRP  98   4.607   1.469   4.310
  265    HH2  TRP  98           2HH      TRP  98   6.848   0.623   3.820
  266    H    LYS  99           HN       LYS  99  -0.461  -4.677   3.736
  267    HA   LYS  99           HA       LYS  99  -3.198  -4.122   2.927
  268   1HB   LYS  99          2HB       LYS  99  -2.707  -6.351   3.791
  269   2HB   LYS  99          3HB       LYS  99  -2.056  -5.660   5.268
  270   1HG   LYS  99          2HG       LYS  99  -4.447  -6.639   5.275
  271   2HG   LYS  99          3HG       LYS  99  -4.135  -5.108   6.095
  272   1HD   LYS  99          2HD       LYS  99  -5.120  -3.859   4.425
  273   2HD   LYS  99          3HD       LYS  99  -5.031  -5.171   3.247
  274   1HE   LYS  99          2HE       LYS  99  -6.560  -6.028   5.508
  275   2HE   LYS  99          3HE       LYS  99  -7.182  -4.481   4.940
  276   1HZ   LYS  99          1HZ       LYS  99  -6.826  -5.855   2.645
  277   2HZ   LYS  99          2HZ       LYS  99  -8.295  -5.717   3.472
  278   3HZ   LYS  99          3HZ       LYS  99  -7.318  -7.076   3.708
  279    H    ALA 100           HN       ALA 100  -4.046  -2.198   3.479
  280    HA   ALA 100           HA       ALA 100  -3.233  -1.049   6.070
  281   1HB   ALA 100          1HB       ALA 100  -2.606   0.102   3.766
  282   2HB   ALA 100          2HB       ALA 100  -4.240   0.752   3.938
  283   3HB   ALA 100          3HB       ALA 100  -3.037   1.039   5.199
  284    H    GLN 101           HN       GLN 101  -4.763  -0.093   7.346
  285    HA   GLN 101           HA       GLN 101  -7.545  -0.591   6.533
  286   1HB   GLN 101          2HB       GLN 101  -7.034  -1.869   8.499
  287   2HB   GLN 101          3HB       GLN 101  -6.302  -0.487   9.289
  288   1HG   GLN 101          2HG       GLN 101  -8.584   0.571   9.094
  289   2HG   GLN 101          3HG       GLN 101  -9.195  -1.023   8.721
  290   1HE2  GLN 101          1HE2      GLN 101  -7.606   0.946  11.139
  291   2HE2  GLN 101          2HE2      GLN 101  -8.006  -0.046  12.494
  292    H    SER 102           HN       SER 102  -8.417   1.213   5.825
  293    HA   SER 102           HA       SER 102  -7.447   3.762   6.068
  294   1HB   SER 102          2HB       SER 102  -9.858   2.480   5.153
  295   2HB   SER 102          3HB       SER 102 -10.226   3.994   5.941
  296    HG   SER 102           HG       SER 102  -9.506   3.808   3.531
  297    H    LEU 103           HN       LEU 103  -8.561   5.615   7.221
  298    HA   LEU 103           HA       LEU 103  -9.285   4.761   9.947
  299   1HB   LEU 103          2HB       LEU 103  -7.383   6.893   9.067
  300   2HB   LEU 103          3HB       LEU 103  -8.107   6.899  10.662
  301    HG   LEU 103           HG       LEU 103  -7.204   4.332  10.506
  302   1HD1  LEU 103          1HD1      LEU 103  -5.383   6.068   8.884
  303   2HD1  LEU 103          2HD1      LEU 103  -4.829   4.596   9.685
  304   3HD1  LEU 103          3HD1      LEU 103  -6.097   4.512   8.461
  305   1HD2  LEU 103          1HD2      LEU 103  -5.311   6.445  11.433
  306   2HD2  LEU 103          2HD2      LEU 103  -6.857   6.223  12.255
  307   3HD2  LEU 103          3HD2      LEU 103  -5.710   4.883  12.160
  308    H    THR 104           HN       THR 104  -9.949   6.853   7.301
  309    HA   THR 104           HA       THR 104 -11.755   8.542   8.798
  310    HB   THR 104           HB       THR 104 -11.676   8.335   5.804
  311    HG1  THR 104           1HG      THR 104  -9.760   9.202   5.701
  312   1HG2  THR 104          1HG2      THR 104 -13.241   9.891   6.506
  313   2HG2  THR 104          2HG2      THR 104 -11.814  10.844   6.092
  314   3HG2  THR 104          3HG2      THR 104 -12.188  10.502   7.782
  315    H    THR 105           HN       THR 105 -11.809   5.917   6.523
  316    HA   THR 105           HA       THR 105 -14.702   5.511   6.863
  317    HB   THR 105           HB       THR 105 -14.736   4.693   4.738
  318    HG1  THR 105           1HG      THR 105 -12.000   4.019   4.876
  319   1HG2  THR 105          1HG2      THR 105 -12.248   6.353   4.609
  320   2HG2  THR 105          2HG2      THR 105 -13.906   6.938   4.444
  321   3HG2  THR 105          3HG2      THR 105 -13.223   5.865   3.221
  322    H    GLY 106           HN       GLY 106 -11.567   4.121   6.959
  323   1HA   GLY 106          1HA       GLY 106 -10.670   2.469   8.199
  324   2HA   GLY 106          2HA       GLY 106 -12.251   2.088   8.823
  325    H    GLN 107           HN       GLN 107 -12.542   2.185   5.534
  326    HA   GLN 107           HA       GLN 107 -13.037  -0.470   5.171
  327   1HB   GLN 107          2HB       GLN 107 -12.363   1.785   3.402
  328   2HB   GLN 107          3HB       GLN 107 -12.397   0.175   2.708
  329   1HG   GLN 107          2HG       GLN 107 -14.576   0.522   2.455
  330   2HG   GLN 107          3HG       GLN 107 -14.662   0.219   4.190
  331   1HE2  GLN 107          1HE2      GLN 107 -14.065   2.846   1.884
  332   2HE2  GLN 107          2HE2      GLN 107 -14.909   4.058   2.781
  333    H    GLU 108           HN       GLU 108 -11.849  -2.203   5.148
  334    HA   GLU 108           HA       GLU 108  -8.952  -1.955   5.115
  335   1HB   GLU 108          2HB       GLU 108 -10.713  -4.349   5.623
  336   2HB   GLU 108          3HB       GLU 108  -8.971  -4.327   5.779
  337   1HG   GLU 108          2HG       GLU 108  -9.093  -3.517   7.819
  338   2HG   GLU 108          3HG       GLU 108 -10.136  -2.196   7.304
  339    H    GLY 109           HN       GLY 109  -7.578  -2.987   3.700
  340   1HA   GLY 109          1HA       GLY 109  -8.226  -4.807   1.712
  341   2HA   GLY 109          2HA       GLY 109  -8.477  -3.215   1.014
  342    H    PHE 110           HN       PHE 110  -6.683  -4.518  -0.294
  343    HA   PHE 110           HA       PHE 110  -4.039  -4.134   0.833
  344   1HB   PHE 110          2HB       PHE 110  -5.224  -5.653  -1.398
  345   2HB   PHE 110          3HB       PHE 110  -3.629  -4.997  -1.710
  346    HD1  PHE 110           1HD      PHE 110  -5.218  -6.465   1.323
  347    HD2  PHE 110           2HD      PHE 110  -2.056  -6.666  -1.520
  348    HE1  PHE 110           1HE      PHE 110  -4.217  -8.337   2.570
  349    HE2  PHE 110           2HE      PHE 110  -1.052  -8.538  -0.279
  350    HZ   PHE 110           HZ       PHE 110  -2.133  -9.375   1.770
  351    H    ILE 111           HN       ILE 111  -2.553  -2.651   0.111
  352    HA   ILE 111           HA       ILE 111  -3.411  -0.817  -2.023
  353    HB   ILE 111           HB       ILE 111  -2.580   1.102  -0.737
  354   1HG1  ILE 111          2HG1      ILE 111  -2.529  -0.565   1.750
  355   2HG1  ILE 111          3HG1      ILE 111  -1.129  -0.561   0.691
  356   1HG2  ILE 111          1HG2      ILE 111  -4.984   0.228  -0.665
  357   2HG2  ILE 111          2HG2      ILE 111  -4.599  -0.298   0.976
  358   3HG2  ILE 111          3HG2      ILE 111  -4.491   1.411   0.545
  359   1HD1  ILE 111          1HD1      ILE 111  -2.210   1.591   2.401
  360   2HD1  ILE 111          2HD1      ILE 111  -0.540   1.110   2.088
  361   3HD1  ILE 111          3HD1      ILE 111  -1.428   2.049   0.887
  362    HA   PRO 112           HA       PRO 112   0.595  -1.240  -3.750
  363   1HB   PRO 112          2HB       PRO 112   0.876   1.399  -4.599
  364   2HB   PRO 112          3HB       PRO 112   0.093   0.107  -5.511
  365   1HG   PRO 112          2HG       PRO 112  -1.125   2.244  -3.845
  366   2HG   PRO 112          3HG       PRO 112  -1.723   1.497  -5.326
  367   1HD   PRO 112          2HD       PRO 112  -2.714   0.896  -2.905
  368   2HD   PRO 112          3HD       PRO 112  -2.619  -0.289  -4.213
  369    H    PHE 113           HN       PHE 113   2.294  -1.432  -2.388
  370    HA   PHE 113           HA       PHE 113   2.759   0.112  -0.134
  371   1HB   PHE 113          2HB       PHE 113   4.712  -1.099   0.164
  372   2HB   PHE 113          3HB       PHE 113   3.761  -2.175  -0.853
  373    HD1  PHE 113           1HD      PHE 113   6.896  -1.710  -0.341
  374    HD2  PHE 113           2HD      PHE 113   4.179  -0.853  -3.500
  375    HE1  PHE 113           1HE      PHE 113   8.752  -1.788  -1.953
  376    HE2  PHE 113           2HE      PHE 113   6.030  -0.928  -5.118
  377    HZ   PHE 113           HZ       PHE 113   8.320  -1.396  -4.345
  378    H    ASN 114           HN       ASN 114   3.431   0.912  -3.411
  379    HA   ASN 114           HA       ASN 114   5.303   3.017  -2.602
  380   1HB   ASN 114          2HB       ASN 114   5.552   3.296  -5.130
  381   2HB   ASN 114          3HB       ASN 114   6.179   1.806  -4.434
  382   1HD2  ASN 114          1HD2      ASN 114   6.006   1.105  -6.693
  383   2HD2  ASN 114          2HD2      ASN 114   4.500   0.458  -7.239
  384    H    PHE 115           HN       PHE 115   2.488   3.165  -1.987
  385    HA   PHE 115           HA       PHE 115   1.714   5.504  -3.612
  386   1HB   PHE 115          2HB       PHE 115   0.329   3.127  -3.250
  387   2HB   PHE 115          3HB       PHE 115  -0.449   4.232  -2.133
  388    HD1  PHE 115           1HD      PHE 115  -0.170   3.164  -5.515
  389    HD2  PHE 115           2HD      PHE 115  -1.308   6.446  -3.060
  390    HE1  PHE 115           1HE      PHE 115  -1.527   4.061  -7.351
  391    HE2  PHE 115           2HE      PHE 115  -2.664   7.349  -4.895
  392    HZ   PHE 115           HZ       PHE 115  -2.775   6.162  -7.049
  393    H    VAL 116           HN       VAL 116   2.008   4.122  -0.408
  394    HA   VAL 116           HA       VAL 116   1.086   6.653   0.761
  395    HB   VAL 116           HB       VAL 116   0.812   5.385   2.863
  396   1HG1  VAL 116          1HG1      VAL 116  -0.671   4.835   0.373
  397   2HG1  VAL 116          2HG1      VAL 116  -1.022   3.795   1.754
  398   3HG1  VAL 116          3HG1      VAL 116  -1.220   5.542   1.893
  399   1HG2  VAL 116          1HG2      VAL 116   0.688   2.742   2.010
  400   2HG2  VAL 116          2HG2      VAL 116   2.200   3.349   1.339
  401   3HG2  VAL 116          3HG2      VAL 116   1.905   3.448   3.075
  402    H    ALA 117           HN       ALA 117   2.169   7.653   2.403
  403    HA   ALA 117           HA       ALA 117   4.883   6.760   3.048
  404   1HB   ALA 117          1HB       ALA 117   4.128   9.211   1.598
  405   2HB   ALA 117          2HB       ALA 117   5.256   9.444   2.935
  406   3HB   ALA 117          3HB       ALA 117   5.659   8.333   1.625
  407    H    LYS 118           HN       LYS 118   5.470   7.191   5.158
  408    HA   LYS 118           HA       LYS 118   3.691   7.323   7.166
  409   1HB   LYS 118          2HB       LYS 118   6.430   8.594   7.143
  410   2HB   LYS 118          3HB       LYS 118   5.489   8.299   8.597
  411   1HG   LYS 118          2HG       LYS 118   6.703   6.291   6.727
  412   2HG   LYS 118          3HG       LYS 118   7.019   6.524   8.449
  413   1HD   LYS 118          2HD       LYS 118   4.733   5.798   8.955
  414   2HD   LYS 118          3HD       LYS 118   4.435   5.549   7.235
  415   1HE   LYS 118          2HE       LYS 118   6.585   4.135   8.806
  416   2HE   LYS 118          3HE       LYS 118   4.984   3.464   8.491
  417   1HZ   LYS 118          1HZ       LYS 118   5.418   3.290   6.230
  418   2HZ   LYS 118          2HZ       LYS 118   6.882   2.821   6.936
  419   3HZ   LYS 118          3HZ       LYS 118   6.720   4.371   6.280
  420    H    ALA 119           HN       ALA 119   2.516   8.768   8.307
  421    HA   ALA 119           HA       ALA 119   1.858  11.255   7.086
  422   1HB   ALA 119          1HB       ALA 119   1.002   9.838   9.568
  423   2HB   ALA 119          2HB       ALA 119   0.661  11.560   9.420
  424   3HB   ALA 119          3HB       ALA 119   0.036  10.436   8.214
  425    H    ASN 120           HN       ASN 120   4.447  11.582   7.313
  426    HA   ASN 120           HA       ASN 120   4.732  13.553   9.472
  427   1HB   ASN 120          2HB       ASN 120   6.184  11.112   9.244
  428   2HB   ASN 120          3HB       ASN 120   7.299  12.434   8.916
  429   1HD2  ASN 120          1HD2      ASN 120   8.450  12.535  10.734
  430   2HD2  ASN 120          2HD2      ASN 120   7.794  12.782  12.312
  Start of MODEL   11
    1    H    ASN  64           HN       ASN  64   1.162   2.874  12.861
    2    HA   ASN  64           HA       ASN  64   3.382   2.205  11.236
    3   1HB   ASN  64          2HB       ASN  64   1.341   0.072  11.748
    4   2HB   ASN  64          3HB       ASN  64   2.013   0.227  10.132
    5   1HD2  ASN  64          1HD2      ASN  64   2.325  -2.022  11.763
    6   2HD2  ASN  64          2HD2      ASN  64   4.003  -2.191  12.135
    7    H    LEU  65           HN       LEU  65   1.237   4.200  11.618
    8    HA   LEU  65           HA       LEU  65  -0.449   3.885   9.312
    9   1HB   LEU  65          2HB       LEU  65  -1.500   4.921  11.111
   10   2HB   LEU  65          3HB       LEU  65  -0.189   6.041  11.374
   11    HG   LEU  65           HG       LEU  65  -0.760   7.153   9.279
   12   1HD1  LEU  65          1HD1      LEU  65  -1.927   6.082   7.739
   13   2HD1  LEU  65          2HD1      LEU  65  -2.286   4.787   8.884
   14   3HD1  LEU  65          3HD1      LEU  65  -3.347   6.191   8.781
   15   1HD2  LEU  65          1HD2      LEU  65  -2.898   8.144  10.012
   16   2HD2  LEU  65          2HD2      LEU  65  -3.056   6.854  11.203
   17   3HD2  LEU  65          3HD2      LEU  65  -1.729   8.009  11.327
   18    H    VAL  66           HN       VAL  66  -0.430   4.956   7.504
   19    HA   VAL  66           HA       VAL  66   1.882   6.672   6.888
   20    HB   VAL  66           HB       VAL  66   1.590   5.730   4.545
   21   1HG1  VAL  66          1HG1      VAL  66   3.571   5.230   5.716
   22   2HG1  VAL  66          2HG1      VAL  66   2.722   4.161   6.834
   23   3HG1  VAL  66          3HG1      VAL  66   2.954   3.676   5.155
   24   1HG2  VAL  66          1HG2      VAL  66   0.753   3.381   4.494
   25   2HG2  VAL  66          2HG2      VAL  66   0.116   3.639   6.118
   26   3HG2  VAL  66          3HG2      VAL  66  -0.497   4.595   4.770
   27    H    ILE  67           HN       ILE  67   1.403   7.610   4.532
   28    HA   ILE  67           HA       ILE  67  -1.346   8.484   4.298
   29    HB   ILE  67           HB       ILE  67   0.726  10.189   5.377
   30   1HG1  ILE  67          2HG1      ILE  67  -2.225  10.384   4.868
   31   2HG1  ILE  67          3HG1      ILE  67  -1.424   9.984   6.359
   32   1HG2  ILE  67          1HG2      ILE  67  -0.630  11.153   2.859
   33   2HG2  ILE  67          2HG2      ILE  67   0.201  12.195   4.013
   34   3HG2  ILE  67          3HG2      ILE  67   1.104  10.969   3.122
   35   1HD1  ILE  67          1HD1      ILE  67  -0.565  12.562   5.517
   36   2HD1  ILE  67          2HD1      ILE  67  -2.329  12.489   5.487
   37   3HD1  ILE  67          3HD1      ILE  67  -1.454  12.105   6.970
   38    H    ALA  68           HN       ALA  68  -1.973   8.474   2.288
   39    HA   ALA  68           HA       ALA  68  -0.291   7.652   0.198
   40   1HB   ALA  68          1HB       ALA  68  -2.199   7.287  -0.884
   41   2HB   ALA  68          2HB       ALA  68  -3.012   7.837   0.581
   42   3HB   ALA  68          3HB       ALA  68  -2.701   8.970  -0.733
   43    H    LEU  69           HN       LEU  69   0.360   8.686  -1.698
   44    HA   LEU  69           HA       LEU  69   0.604  11.617  -1.499
   45   1HB   LEU  69          2HB       LEU  69   2.560   9.571  -2.538
   46   2HB   LEU  69          3HB       LEU  69   2.736  11.295  -2.815
   47    HG   LEU  69           HG       LEU  69   2.717   9.956  -0.106
   48   1HD1  LEU  69          1HD1      LEU  69   5.127  10.959  -0.182
   49   2HD1  LEU  69          2HD1      LEU  69   4.798   9.401  -0.940
   50   3HD1  LEU  69          3HD1      LEU  69   4.910  10.859  -1.929
   51   1HD2  LEU  69          1HD2      LEU  69   1.796  12.171   0.046
   52   2HD2  LEU  69          2HD2      LEU  69   3.440  12.196   0.684
   53   3HD2  LEU  69          3HD2      LEU  69   3.111  12.829  -0.928
   54    H    HIS  70           HN       HIS  70  -1.217   9.543  -2.981
   55    HA   HIS  70           HA       HIS  70  -1.623  11.121  -5.308
   56   1HB   HIS  70          2HB       HIS  70  -1.203   8.656  -6.577
   57   2HB   HIS  70          3HB       HIS  70  -0.234  10.111  -6.751
   58    HD1  HIS  70           1HD      HIS  70   1.995   8.927  -7.008
   59    HD2  HIS  70           2HD      HIS  70  -0.005   7.871  -3.528
   60    HE1  HIS  70           1HE      HIS  70   3.665   7.647  -5.640
   61    HE2  HIS  70           2HE      HIS  70   2.485   7.181  -3.466
   62    H    SER  71           HN       SER  71  -3.630  10.754  -6.197
   63    HA   SER  71           HA       SER  71  -5.552   9.414  -4.670
   64   1HB   SER  71          2HB       SER  71  -6.112   9.754  -7.564
   65   2HB   SER  71          3HB       SER  71  -7.077  10.224  -6.167
   66    HG   SER  71           HG       SER  71  -5.365  11.706  -7.626
   67    H    TYR  72           HN       TYR  72  -6.042   7.331  -4.490
   68    HA   TYR  72           HA       TYR  72  -4.943   5.481  -6.491
   69   1HB   TYR  72          2HB       TYR  72  -4.308   5.171  -4.084
   70   2HB   TYR  72          3HB       TYR  72  -5.985   4.784  -3.750
   71    HD1  TYR  72           1HD      TYR  72  -6.164   2.531  -3.297
   72    HD2  TYR  72           2HD      TYR  72  -3.685   3.774  -6.522
   73    HE1  TYR  72           1HE      TYR  72  -5.768   0.181  -3.892
   74    HE2  TYR  72           2HE      TYR  72  -3.289   1.427  -7.128
   75    HH   TYR  72           HH       TYR  72  -4.563  -0.797  -6.794
   76    H    GLU  73           HN       GLU  73  -6.116   3.867  -7.424
   77    HA   GLU  73           HA       GLU  73  -8.999   3.807  -6.989
   78   1HB   GLU  73          2HB       GLU  73  -7.677   4.847  -9.264
   79   2HB   GLU  73          3HB       GLU  73  -8.508   3.381  -9.740
   80   1HG   GLU  73          2HG       GLU  73 -10.598   4.239  -9.054
   81   2HG   GLU  73          3HG       GLU  73  -9.832   5.580  -8.200
   82    HA   PRO  74           HA       PRO  74  -7.434  -0.425  -6.238
   83   1HB   PRO  74          2HB       PRO  74 -10.246  -1.091  -6.194
   84   2HB   PRO  74          3HB       PRO  74  -9.096  -1.052  -4.857
   85   1HG   PRO  74          2HG       PRO  74 -11.037   0.986  -5.708
   86   2HG   PRO  74          3HG       PRO  74 -10.251   0.765  -4.137
   87   1HD   PRO  74          2HD       PRO  74  -9.608   2.810  -5.789
   88   2HD   PRO  74          3HD       PRO  74  -8.400   2.013  -4.753
   89    H    SER  75           HN       SER  75  -6.812  -1.723  -7.808
   90    HA   SER  75           HA       SER  75  -8.601  -2.141 -10.111
   91   1HB   SER  75          2HB       SER  75  -5.708  -1.491  -9.997
   92   2HB   SER  75          3HB       SER  75  -6.191  -2.700 -11.187
   93    HG   SER  75           HG       SER  75  -6.282  -0.583 -12.042
   94    H    HIS  76           HN       HIS  76  -6.151  -3.542  -7.987
   95    HA   HIS  76           HA       HIS  76  -6.473  -6.191  -9.071
   96   1HB   HIS  76          2HB       HIS  76  -4.782  -4.905  -7.010
   97   2HB   HIS  76          3HB       HIS  76  -5.171  -6.598  -6.727
   98    HD1  HIS  76           1HD      HIS  76  -3.109  -4.371  -8.838
   99    HD2  HIS  76           2HD      HIS  76  -4.150  -8.392  -8.695
  100    HE1  HIS  76           1HE      HIS  76  -1.491  -5.539 -10.367
  101    HE2  HIS  76           2HE      HIS  76  -2.198  -7.958 -10.336
  102    H    ASP  77           HN       ASP  77  -6.836  -8.006  -7.349
  103    HA   ASP  77           HA       ASP  77  -9.498  -7.604  -6.326
  104   1HB   ASP  77          2HB       ASP  77  -8.313  -9.755  -7.391
  105   2HB   ASP  77          3HB       ASP  77  -7.989 -10.088  -5.693
  106    H    GLY  78           HN       GLY  78 -10.163  -7.579  -4.204
  107   1HA   GLY  78          1HA       GLY  78 -10.018  -7.202  -1.941
  108   2HA   GLY  78          2HA       GLY  78  -8.586  -8.218  -1.975
  109    H    ASP  79           HN       ASP  79  -9.090  -5.123  -3.620
  110    HA   ASP  79           HA       ASP  79  -6.777  -4.081  -2.141
  111   1HB   ASP  79          2HB       ASP  79  -7.960  -3.260  -4.794
  112   2HB   ASP  79          3HB       ASP  79  -6.647  -2.402  -3.994
  113    H    LEU  80           HN       LEU  80  -6.785  -1.908  -1.422
  114    HA   LEU  80           HA       LEU  80  -9.473  -0.910  -0.766
  115   1HB   LEU  80          2HB       LEU  80  -8.532  -1.335   1.292
  116   2HB   LEU  80          3HB       LEU  80  -6.904  -1.015   0.738
  117    HG   LEU  80           HG       LEU  80  -7.522   1.434   0.696
  118   1HD1  LEU  80          1HD1      LEU  80  -9.763   1.738   0.770
  119   2HD1  LEU  80          2HD1      LEU  80 -10.041   0.271   1.708
  120   3HD1  LEU  80          3HD1      LEU  80  -9.469   1.735   2.510
  121   1HD2  LEU  80          1HD2      LEU  80  -7.616  -0.019   3.334
  122   2HD2  LEU  80          2HD2      LEU  80  -6.162   0.470   2.464
  123   3HD2  LEU  80          3HD2      LEU  80  -7.251   1.693   3.119
  124    H    GLY  81           HN       GLY  81 -10.045   1.081  -1.439
  125   1HA   GLY  81          1HA       GLY  81  -8.065   2.571  -2.997
  126   2HA   GLY  81          2HA       GLY  81  -9.800   2.791  -3.075
  127    H    PHE  82           HN       PHE  82  -7.492   4.644  -2.618
  128    HA   PHE  82           HA       PHE  82  -8.701   6.076  -0.390
  129   1HB   PHE  82          2HB       PHE  82  -6.254   6.641   0.336
  130   2HB   PHE  82          3HB       PHE  82  -7.009   5.152   0.879
  131    HD1  PHE  82           1HD      PHE  82  -4.129   6.537  -0.529
  132    HD2  PHE  82           2HD      PHE  82  -6.598   3.079  -0.722
  133    HE1  PHE  82           1HE      PHE  82  -2.247   5.249  -1.473
  134    HE2  PHE  82           2HE      PHE  82  -4.729   1.796  -1.671
  135    HZ   PHE  82           HZ       PHE  82  -2.552   2.877  -2.040
  136    H    GLU  83           HN       GLU  83  -7.491   8.283  -0.170
  137    HA   GLU  83           HA       GLU  83  -7.245   9.349  -2.902
  138   1HB   GLU  83          2HB       GLU  83  -8.629  10.233  -0.500
  139   2HB   GLU  83          3HB       GLU  83  -7.608  11.491  -1.173
  140   1HG   GLU  83          2HG       GLU  83  -8.895  10.450  -3.378
  141   2HG   GLU  83          3HG       GLU  83 -10.129  10.431  -2.120
  142    H    LYS  84           HN       LYS  84  -5.911  11.482  -2.899
  143    HA   LYS  84           HA       LYS  84  -3.268  10.801  -2.054
  144   1HB   LYS  84          2HB       LYS  84  -3.302  11.993  -4.052
  145   2HB   LYS  84          3HB       LYS  84  -4.510  13.126  -3.473
  146   1HG   LYS  84          2HG       LYS  84  -2.590  13.842  -1.826
  147   2HG   LYS  84          3HG       LYS  84  -1.560  13.104  -3.051
  148   1HD   LYS  84          2HD       LYS  84  -3.665  14.991  -3.953
  149   2HD   LYS  84          3HD       LYS  84  -2.251  15.664  -3.141
  150   1HE   LYS  84          2HE       LYS  84  -1.119  13.901  -4.895
  151   2HE   LYS  84          3HE       LYS  84  -2.511  14.480  -5.808
  152   1HZ   LYS  84          1HZ       LYS  84  -0.234  15.745  -5.858
  153   2HZ   LYS  84          2HZ       LYS  84  -0.830  16.453  -4.442
  154   3HZ   LYS  84          3HZ       LYS  84  -1.698  16.592  -5.887
  155    H    GLY  85           HN       GLY  85  -2.280  11.306  -0.210
  156   1HA   GLY  85          1HA       GLY  85  -1.773  12.523   1.728
  157   2HA   GLY  85          2HA       GLY  85  -3.158  13.566   1.404
  158    H    GLU  86           HN       GLU  86  -4.604  10.810   0.964
  159    HA   GLU  86           HA       GLU  86  -5.999  10.712   3.357
  160   1HB   GLU  86          2HB       GLU  86  -6.250   9.517   0.932
  161   2HB   GLU  86          3HB       GLU  86  -5.672   8.166   1.887
  162   1HG   GLU  86          2HG       GLU  86  -8.284   9.077   1.612
  163   2HG   GLU  86          3HG       GLU  86  -7.690   7.810   2.662
  164    H    GLN  87           HN       GLN  87  -6.057   8.808   4.853
  165    HA   GLN  87           HA       GLN  87  -3.328   7.843   5.373
  166   1HB   GLN  87          2HB       GLN  87  -5.301   8.401   7.566
  167   2HB   GLN  87          3HB       GLN  87  -3.571   8.141   7.695
  168   1HG   GLN  87          2HG       GLN  87  -3.074  10.271   7.254
  169   2HG   GLN  87          3HG       GLN  87  -4.331  10.418   6.031
  170   1HE2  GLN  87          1HE2      GLN  87  -3.602  10.623   9.432
  171   2HE2  GLN  87          2HE2      GLN  87  -5.017  11.503   9.887
  172    H    LEU  88           HN       LEU  88  -3.081   5.834   6.174
  173    HA   LEU  88           HA       LEU  88  -5.399   4.105   6.551
  174   1HB   LEU  88          2HB       LEU  88  -3.266   2.996   4.822
  175   2HB   LEU  88          3HB       LEU  88  -4.976   2.623   4.871
  176    HG   LEU  88           HG       LEU  88  -4.401   5.314   3.869
  177   1HD1  LEU  88          1HD1      LEU  88  -3.774   3.222   1.892
  178   2HD1  LEU  88          2HD1      LEU  88  -3.143   4.860   2.057
  179   3HD1  LEU  88          3HD1      LEU  88  -2.525   3.569   3.090
  180   1HD2  LEU  88          1HD2      LEU  88  -5.884   3.024   2.612
  181   2HD2  LEU  88          2HD2      LEU  88  -6.589   4.066   3.856
  182   3HD2  LEU  88          3HD2      LEU  88  -6.087   4.753   2.308
  183    H    ARG  89           HN       ARG  89  -5.061   2.776   8.177
  184    HA   ARG  89           HA       ARG  89  -2.483   2.704   9.431
  185   1HB   ARG  89          2HB       ARG  89  -4.322   2.838  10.912
  186   2HB   ARG  89          3HB       ARG  89  -5.180   1.539  10.094
  187   1HG   ARG  89          2HG       ARG  89  -3.601  -0.065  10.890
  188   2HG   ARG  89          3HG       ARG  89  -2.612   1.207  11.591
  189   1HD   ARG  89          2HD       ARG  89  -4.735   1.825  12.898
  190   2HD   ARG  89          3HD       ARG  89  -5.290   0.216  12.474
  191    HE   ARG  89           HE       ARG  89  -2.667   0.349  13.687
  192   1HH1  ARG  89          2HH1      ARG  89  -6.096  -0.057  14.217
  193   2HH1  ARG  89          1HH1      ARG  89  -5.891  -0.860  15.737
  194   1HH2  ARG  89          2HH2      ARG  89  -2.401  -0.707  15.688
  195   2HH2  ARG  89          1HH2      ARG  89  -3.797  -1.228  16.572
  196    H    ILE  90           HN       ILE  90  -1.039   1.529   8.401
  197    HA   ILE  90           HA       ILE  90  -1.522  -0.647   6.736
  198    HB   ILE  90           HB       ILE  90   1.056  -0.124   8.219
  199   1HG1  ILE  90          2HG1      ILE  90   0.209   1.890   7.062
  200   2HG1  ILE  90          3HG1      ILE  90   1.697   1.297   6.358
  201   1HG2  ILE  90          1HG2      ILE  90   0.389  -2.216   6.587
  202   2HG2  ILE  90          2HG2      ILE  90   1.148  -1.083   5.468
  203   3HG2  ILE  90          3HG2      ILE  90   2.027  -1.638   6.893
  204   1HD1  ILE  90          1HD1      ILE  90  -0.829   1.766   5.123
  205   2HD1  ILE  90          2HD1      ILE  90   0.706   1.309   4.384
  206   3HD1  ILE  90          3HD1      ILE  90  -0.401   0.063   4.959
  207    H    LEU  91           HN       LEU  91  -2.381  -2.466   7.245
  208    HA   LEU  91           HA       LEU  91  -2.186  -3.647   9.867
  209   1HB   LEU  91          2HB       LEU  91  -3.279  -4.899   7.353
  210   2HB   LEU  91          3HB       LEU  91  -3.697  -5.284   9.011
  211    HG   LEU  91           HG       LEU  91  -4.358  -2.720   7.563
  212   1HD1  LEU  91          1HD1      LEU  91  -5.928  -4.049   6.671
  213   2HD1  LEU  91          2HD1      LEU  91  -5.840  -5.231   7.978
  214   3HD1  LEU  91          3HD1      LEU  91  -6.738  -3.727   8.204
  215   1HD2  LEU  91          1HD2      LEU  91  -4.424  -1.877   9.637
  216   2HD2  LEU  91          2HD2      LEU  91  -5.929  -2.782   9.787
  217   3HD2  LEU  91          3HD2      LEU  91  -4.422  -3.472  10.391
  218    H    GLU  92           HN       GLU  92  -1.155  -4.380   6.584
  219    HA   GLU  92           HA       GLU  92   1.134  -5.837   7.640
  220   1HB   GLU  92          2HB       GLU  92  -1.089  -7.112   6.401
  221   2HB   GLU  92          3HB       GLU  92   0.285  -7.213   5.305
  222   1HG   GLU  92          2HG       GLU  92   1.087  -8.885   6.497
  223   2HG   GLU  92          3HG       GLU  92   1.273  -7.777   7.860
  224    H    GLN  93           HN       GLN  93   2.970  -5.505   6.508
  225    HA   GLN  93           HA       GLN  93   2.727  -3.971   4.026
  226   1HB   GLN  93          2HB       GLN  93   5.023  -3.014   4.898
  227   2HB   GLN  93          3HB       GLN  93   3.491  -2.312   5.386
  228   1HG   GLN  93          2HG       GLN  93   3.560  -3.817   7.366
  229   2HG   GLN  93          3HG       GLN  93   5.189  -4.221   6.883
  230   1HE2  GLN  93          1HE2      GLN  93   6.719  -3.131   7.892
  231   2HE2  GLN  93          2HE2      GLN  93   6.577  -1.530   8.525
  232    H    SER  94           HN       SER  94   2.995  -6.772   4.211
  233    HA   SER  94           HA       SER  94   5.770  -7.280   3.442
  234   1HB   SER  94          2HB       SER  94   4.282  -9.658   3.233
  235   2HB   SER  94          3HB       SER  94   5.405  -9.216   4.516
  236    HG   SER  94           HG       SER  94   3.044  -9.742   4.998
  237    H    GLY  95           HN       GLY  95   6.328  -7.281   1.372
  238   1HA   GLY  95          1HA       GLY  95   6.135  -7.878  -0.903
  239   2HA   GLY  95          2HA       GLY  95   4.429  -8.192  -0.646
  240    H    GLU  96           HN       GLU  96   5.481  -6.821  -2.814
  241    HA   GLU  96           HA       GLU  96   5.598  -4.087  -2.758
  242   1HB   GLU  96          2HB       GLU  96   6.004  -4.811  -4.857
  243   2HB   GLU  96          3HB       GLU  96   4.848  -6.130  -4.730
  244   1HG   GLU  96          2HG       GLU  96   3.047  -4.688  -5.143
  245   2HG   GLU  96          3HG       GLU  96   4.083  -3.265  -5.082
  246    H    TRP  97           HN       TRP  97   2.834  -6.056  -2.103
  247    HA   TRP  97           HA       TRP  97   1.109  -3.678  -2.216
  248   1HB   TRP  97          2HB       TRP  97   0.529  -6.609  -2.545
  249   2HB   TRP  97          3HB       TRP  97  -0.747  -5.470  -2.123
  250    HD1  TRP  97           1HD      TRP  97   1.580  -6.427  -5.004
  251    HE1  TRP  97           1HE      TRP  97   0.738  -5.295  -7.158
  252    HE3  TRP  97           3HE      TRP  97  -2.084  -3.486  -2.998
  253    HZ2  TRP  97           2HZ      TRP  97  -1.218  -3.399  -7.904
  254    HZ3  TRP  97           3HZ      TRP  97  -3.391  -2.042  -4.491
  255    HH2  TRP  97           2HH      TRP  97  -2.962  -1.994  -6.894
  256    H    TRP  98           HN       TRP  98   0.855  -2.758  -0.293
  257    HA   TRP  98           HA       TRP  98   1.091  -4.369   2.128
  258   1HB   TRP  98          2HB       TRP  98   1.087  -1.397   1.646
  259   2HB   TRP  98          3HB       TRP  98   1.014  -2.096   3.256
  260    HD1  TRP  98           1HD      TRP  98   3.188  -4.245   1.245
  261    HE1  TRP  98           1HE      TRP  98   5.669  -3.722   1.705
  262    HE3  TRP  98           3HE      TRP  98   2.617   0.186   3.680
  263    HZ2  TRP  98           2HZ      TRP  98   7.183  -1.666   2.934
  264    HZ3  TRP  98           3HZ      TRP  98   4.618   1.386   4.465
  265    HH2  TRP  98           2HH      TRP  98   6.857   0.472   4.102
  266    H    LYS  99           HN       LYS  99  -0.498  -4.738   3.540
  267    HA   LYS  99           HA       LYS  99  -3.215  -4.115   2.758
  268   1HB   LYS  99          2HB       LYS  99  -2.773  -6.345   3.615
  269   2HB   LYS  99          3HB       LYS  99  -2.060  -5.680   5.073
  270   1HG   LYS  99          2HG       LYS  99  -4.471  -6.612   5.144
  271   2HG   LYS  99          3HG       LYS  99  -4.097  -5.102   5.979
  272   1HD   LYS  99          2HD       LYS  99  -5.110  -3.804   4.363
  273   2HD   LYS  99          3HD       LYS  99  -5.094  -5.099   3.162
  274   1HE   LYS  99          2HE       LYS  99  -6.558  -5.939   5.480
  275   2HE   LYS  99          3HE       LYS  99  -7.170  -4.385   4.925
  276   1HZ   LYS  99          1HZ       LYS  99  -6.882  -5.820   2.633
  277   2HZ   LYS  99          2HZ       LYS  99  -8.334  -5.568   3.462
  278   3HZ   LYS  99          3HZ       LYS  99  -7.438  -6.976   3.737
  279    H    ALA 100           HN       ALA 100  -4.031  -2.169   3.299
  280    HA   ALA 100           HA       ALA 100  -3.210  -1.031   5.892
  281   1HB   ALA 100          1HB       ALA 100  -4.230   0.759   3.748
  282   2HB   ALA 100          2HB       ALA 100  -3.049   1.068   5.023
  283   3HB   ALA 100          3HB       ALA 100  -2.586   0.128   3.602
  284    H    GLN 101           HN       GLN 101  -4.729  -0.149   7.213
  285    HA   GLN 101           HA       GLN 101  -7.517  -0.616   6.406
  286   1HB   GLN 101          2HB       GLN 101  -7.001  -1.924   8.349
  287   2HB   GLN 101          3HB       GLN 101  -6.254  -0.559   9.155
  288   1HG   GLN 101          2HG       GLN 101  -8.529   0.520   9.000
  289   2HG   GLN 101          3HG       GLN 101  -9.157  -1.061   8.599
  290   1HE2  GLN 101          1HE2      GLN 101  -7.533   0.842  11.048
  291   2HE2  GLN 101          2HE2      GLN 101  -7.936  -0.175  12.384
  292    H    SER 102           HN       SER 102  -8.388   1.194   5.726
  293    HA   SER 102           HA       SER 102  -7.429   3.741   5.994
  294   1HB   SER 102          2HB       SER 102  -9.852   2.458   5.104
  295   2HB   SER 102          3HB       SER 102 -10.205   3.972   5.895
  296    HG   SER 102           HG       SER 102  -9.667   3.956   3.529
  297    H    LEU 103           HN       LEU 103  -8.535   5.575   7.181
  298    HA   LEU 103           HA       LEU 103  -9.238   4.693   9.902
  299   1HB   LEU 103          2HB       LEU 103  -7.345   6.839   9.033
  300   2HB   LEU 103          3HB       LEU 103  -8.050   6.816  10.636
  301    HG   LEU 103           HG       LEU 103  -7.139   4.254  10.420
  302   1HD1  LEU 103          1HD1      LEU 103  -4.769   4.556   9.587
  303   2HD1  LEU 103          2HD1      LEU 103  -6.048   4.475   8.373
  304   3HD1  LEU 103          3HD1      LEU 103  -5.348   6.033   8.813
  305   1HD2  LEU 103          1HD2      LEU 103  -5.633   4.779  12.071
  306   2HD2  LEU 103          2HD2      LEU 103  -5.250   6.357  11.375
  307   3HD2  LEU 103          3HD2      LEU 103  -6.788   6.109  12.205
  308    H    THR 104           HN       THR 104  -9.903   6.821   7.283
  309    HA   THR 104           HA       THR 104 -11.695   8.504   8.799
  310    HB   THR 104           HB       THR 104 -11.610   8.308   5.802
  311    HG1  THR 104           1HG      THR 104  -9.508   8.581   6.090
  312   1HG2  THR 104          1HG2      THR 104 -11.760  10.817   6.105
  313   2HG2  THR 104          2HG2      THR 104 -12.153  10.460   7.787
  314   3HG2  THR 104          3HG2      THR 104 -13.185   9.853   6.488
  315    H    THR 105           HN       THR 105 -11.771   5.893   6.512
  316    HA   THR 105           HA       THR 105 -14.665   5.494   6.857
  317    HB   THR 105           HB       THR 105 -14.702   4.674   4.730
  318    HG1  THR 105           1HG      THR 105 -12.780   3.774   3.725
  319   1HG2  THR 105          1HG2      THR 105 -13.899   6.933   4.448
  320   2HG2  THR 105          2HG2      THR 105 -13.206   5.877   3.216
  321   3HG2  THR 105          3HG2      THR 105 -12.235   6.367   4.606
  322    H    GLY 106           HN       GLY 106 -11.530   4.107   6.945
  323   1HA   GLY 106          1HA       GLY 106 -10.627   2.447   8.163
  324   2HA   GLY 106          2HA       GLY 106 -12.202   2.065   8.801
  325    H    GLN 107           HN       GLN 107 -12.535   2.167   5.520
  326    HA   GLN 107           HA       GLN 107 -13.029  -0.484   5.153
  327   1HB   GLN 107          2HB       GLN 107 -12.368   1.778   3.389
  328   2HB   GLN 107          3HB       GLN 107 -12.393   0.170   2.687
  329   1HG   GLN 107          2HG       GLN 107 -14.573   0.495   2.444
  330   2HG   GLN 107          3HG       GLN 107 -14.654   0.196   4.179
  331   1HE2  GLN 107          1HE2      GLN 107 -15.917   1.594   5.145
  332   2HE2  GLN 107          2HE2      GLN 107 -16.063   3.274   4.773
  333    H    GLU 108           HN       GLU 108 -11.837  -2.211   5.165
  334    HA   GLU 108           HA       GLU 108  -8.943  -1.969   5.110
  335   1HB   GLU 108          2HB       GLU 108 -10.653  -4.409   5.567
  336   2HB   GLU 108          3HB       GLU 108  -8.928  -4.292   5.831
  337   1HG   GLU 108          2HG       GLU 108  -9.211  -3.466   7.848
  338   2HG   GLU 108          3HG       GLU 108 -10.318  -2.229   7.265
  339    H    GLY 109           HN       GLY 109  -7.571  -2.918   3.653
  340   1HA   GLY 109          1HA       GLY 109  -8.222  -4.757   1.669
  341   2HA   GLY 109          2HA       GLY 109  -8.492  -3.164   0.986
  342    H    PHE 110           HN       PHE 110  -6.705  -4.481  -0.332
  343    HA   PHE 110           HA       PHE 110  -4.047  -4.123   0.740
  344   1HB   PHE 110          2HB       PHE 110  -5.288  -5.493  -1.567
  345   2HB   PHE 110          3HB       PHE 110  -3.667  -4.877  -1.826
  346    HD1  PHE 110           1HD      PHE 110  -2.254  -6.711  -1.812
  347    HD2  PHE 110           2HD      PHE 110  -5.241  -6.358   1.200
  348    HE1  PHE 110           1HE      PHE 110  -1.331  -8.685  -0.672
  349    HE2  PHE 110           2HE      PHE 110  -4.322  -8.332   2.347
  350    HZ   PHE 110           HZ       PHE 110  -2.364  -9.498   1.411
  351    H    ILE 111           HN       ILE 111  -2.462  -2.754  -0.176
  352    HA   ILE 111           HA       ILE 111  -3.365  -0.797  -2.153
  353    HB   ILE 111           HB       ILE 111  -2.632   1.108  -0.824
  354   1HG1  ILE 111          2HG1      ILE 111  -2.442  -0.582   1.636
  355   2HG1  ILE 111          3HG1      ILE 111  -1.069  -0.519   0.542
  356   1HG2  ILE 111          1HG2      ILE 111  -4.516   1.296   0.525
  357   2HG2  ILE 111          2HG2      ILE 111  -4.992   0.111  -0.692
  358   3HG2  ILE 111          3HG2      ILE 111  -4.524  -0.424   0.924
  359   1HD1  ILE 111          1HD1      ILE 111  -0.514   1.157   1.951
  360   2HD1  ILE 111          2HD1      ILE 111  -1.445   2.073   0.764
  361   3HD1  ILE 111          3HD1      ILE 111  -2.192   1.586   2.286
  362    HA   PRO 112           HA       PRO 112   0.640  -1.205  -3.897
  363   1HB   PRO 112          2HB       PRO 112   0.923   1.528  -4.552
  364   2HB   PRO 112          3HB       PRO 112   0.286   0.255  -5.595
  365   1HG   PRO 112          2HG       PRO 112  -1.165   2.275  -4.003
  366   2HG   PRO 112          3HG       PRO 112  -1.639   1.456  -5.486
  367   1HD   PRO 112          2HD       PRO 112  -2.697   0.868  -3.071
  368   2HD   PRO 112          3HD       PRO 112  -2.533  -0.320  -4.372
  369    H    PHE 113           HN       PHE 113   2.206  -1.563  -2.401
  370    HA   PHE 113           HA       PHE 113   2.729  -0.179  -0.102
  371   1HB   PHE 113          2HB       PHE 113   4.700  -1.394   0.093
  372   2HB   PHE 113          3HB       PHE 113   3.739  -2.393  -0.990
  373    HD1  PHE 113           1HD      PHE 113   4.098  -1.107  -3.574
  374    HD2  PHE 113           2HD      PHE 113   6.906  -1.735  -0.440
  375    HE1  PHE 113           1HE      PHE 113   5.931  -1.059  -5.213
  376    HE2  PHE 113           2HE      PHE 113   8.745  -1.689  -2.074
  377    HZ   PHE 113           HZ       PHE 113   8.259  -1.351  -4.465
  378    H    ASN 114           HN       ASN 114   3.598   0.765  -3.328
  379    HA   ASN 114           HA       ASN 114   5.349   2.871  -2.322
  380   1HB   ASN 114          2HB       ASN 114   5.326   1.304  -4.661
  381   2HB   ASN 114          3HB       ASN 114   5.114   2.981  -5.130
  382   1HD2  ASN 114          1HD2      ASN 114   7.379   1.018  -5.346
  383   2HD2  ASN 114          2HD2      ASN 114   8.739   1.862  -4.695
  384    H    PHE 115           HN       PHE 115   2.456   2.939  -1.912
  385    HA   PHE 115           HA       PHE 115   1.829   5.382  -3.440
  386   1HB   PHE 115          2HB       PHE 115   0.399   2.967  -3.314
  387   2HB   PHE 115          3HB       PHE 115  -0.514   4.113  -2.351
  388    HD1  PHE 115           1HD      PHE 115  -2.278   4.919  -3.520
  389    HD2  PHE 115           2HD      PHE 115   1.435   4.407  -5.523
  390    HE1  PHE 115           1HE      PHE 115  -3.253   5.879  -5.548
  391    HE2  PHE 115           2HE      PHE 115   0.465   5.370  -7.568
  392    HZ   PHE 115           HZ       PHE 115  -1.884   6.111  -7.586
  393    H    VAL 116           HN       VAL 116   2.911   4.621  -0.522
  394    HA   VAL 116           HA       VAL 116   1.392   6.776   0.723
  395    HB   VAL 116           HB       VAL 116   1.097   5.446   2.814
  396   1HG1  VAL 116          1HG1      VAL 116  -0.412   4.045   0.671
  397   2HG1  VAL 116          2HG1      VAL 116  -0.984   4.749   2.184
  398   3HG1  VAL 116          3HG1      VAL 116  -0.583   5.795   0.822
  399   1HG2  VAL 116          1HG2      VAL 116   0.955   2.856   2.040
  400   2HG2  VAL 116          2HG2      VAL 116   2.355   3.397   1.114
  401   3HG2  VAL 116          3HG2      VAL 116   2.342   3.561   2.871
  402    H    ALA 117           HN       ALA 117   2.343   7.757   2.482
  403    HA   ALA 117           HA       ALA 117   5.054   6.950   3.229
  404   1HB   ALA 117          1HB       ALA 117   5.323   9.660   3.163
  405   2HB   ALA 117          2HB       ALA 117   5.866   8.570   1.888
  406   3HB   ALA 117          3HB       ALA 117   4.304   9.377   1.752
  407    H    LYS 118           HN       LYS 118   5.545   7.384   5.360
  408    HA   LYS 118           HA       LYS 118   3.689   7.423   7.301
  409   1HB   LYS 118          2HB       LYS 118   6.365   8.824   7.407
  410   2HB   LYS 118          3HB       LYS 118   5.391   8.423   8.814
  411   1HG   LYS 118          2HG       LYS 118   6.736   6.535   6.904
  412   2HG   LYS 118          3HG       LYS 118   7.055   6.756   8.626
  413   1HD   LYS 118          2HD       LYS 118   4.803   5.917   9.132
  414   2HD   LYS 118          3HD       LYS 118   4.522   5.661   7.411
  415   1HE   LYS 118          2HE       LYS 118   5.136   3.559   8.346
  416   2HE   LYS 118          3HE       LYS 118   6.510   4.137   7.403
  417   1HZ   LYS 118          1HZ       LYS 118   6.251   3.781  10.284
  418   2HZ   LYS 118          2HZ       LYS 118   7.144   5.122   9.767
  419   3HZ   LYS 118          3HZ       LYS 118   7.597   3.567   9.282
  420    H    ALA 119           HN       ALA 119   2.438   8.823   8.435
  421    HA   ALA 119           HA       ALA 119   1.727  11.295   7.210
  422   1HB   ALA 119          1HB       ALA 119  -0.100  10.414   8.278
  423   2HB   ALA 119          2HB       ALA 119   0.847   9.825   9.650
  424   3HB   ALA 119          3HB       ALA 119   0.457  11.539   9.515
  425    H    ASN 120           HN       ASN 120   4.310  11.694   7.532
  426    HA   ASN 120           HA       ASN 120   4.764  13.150  10.022
  427   1HB   ASN 120          2HB       ASN 120   7.105  13.304   9.252
  428   2HB   ASN 120          3HB       ASN 120   6.536  11.638   9.294
  429   1HD2  ASN 120          1HD2      ASN 120   8.744  12.559   7.813
  430   2HD2  ASN 120          2HD2      ASN 120   8.395  12.334   6.137
  Start of MODEL   12
    1    H    ASN  64           HN       ASN  64   2.195   3.207  12.817
    2    HA   ASN  64           HA       ASN  64   3.948   2.012  10.790
    3   1HB   ASN  64          2HB       ASN  64   1.388   0.787  11.830
    4   2HB   ASN  64          3HB       ASN  64   2.145   0.309  10.319
    5   1HD2  ASN  64          1HD2      ASN  64   2.002  -1.757  11.586
    6   2HD2  ASN  64          2HD2      ASN  64   3.379  -2.173  12.538
    7    H    LEU  65           HN       LEU  65   0.911   3.555  11.632
    8    HA   LEU  65           HA       LEU  65  -0.421   3.694   9.291
    9   1HB   LEU  65          2HB       LEU  65  -1.403   4.721  11.135
   10   2HB   LEU  65          3HB       LEU  65  -0.062   5.806  11.385
   11    HG   LEU  65           HG       LEU  65  -0.669   6.983   9.333
   12   1HD1  LEU  65          1HD1      LEU  65  -1.903   5.968   7.802
   13   2HD1  LEU  65          2HD1      LEU  65  -2.260   4.657   8.932
   14   3HD1  LEU  65          3HD1      LEU  65  -3.289   6.087   8.889
   15   1HD2  LEU  65          1HD2      LEU  65  -2.778   7.983  10.148
   16   2HD2  LEU  65          2HD2      LEU  65  -2.908   6.675  11.322
   17   3HD2  LEU  65          3HD2      LEU  65  -1.565   7.813  11.418
   18    H    VAL  66           HN       VAL  66  -0.449   4.821   7.499
   19    HA   VAL  66           HA       VAL  66   1.867   6.522   6.862
   20    HB   VAL  66           HB       VAL  66   1.547   5.620   4.518
   21   1HG1  VAL  66          1HG1      VAL  66   2.665   3.971   6.758
   22   2HG1  VAL  66          2HG1      VAL  66   2.895   3.548   5.060
   23   3HG1  VAL  66          3HG1      VAL  66   3.526   5.073   5.682
   24   1HG2  VAL  66          1HG2      VAL  66   0.675   3.283   4.431
   25   2HG2  VAL  66          2HG2      VAL  66   0.047   3.525   6.061
   26   3HG2  VAL  66          3HG2      VAL  66  -0.553   4.513   4.727
   27    H    ILE  67           HN       ILE  67   1.355   7.487   4.526
   28    HA   ILE  67           HA       ILE  67  -1.388   8.397   4.356
   29    HB   ILE  67           HB       ILE  67   0.724  10.050   5.417
   30   1HG1  ILE  67          2HG1      ILE  67  -2.219  10.337   4.909
   31   2HG1  ILE  67          3HG1      ILE  67  -1.430   9.901   6.397
   32   1HG2  ILE  67          1HG2      ILE  67  -0.603  11.066   2.902
   33   2HG2  ILE  67          2HG2      ILE  67   0.255  12.079   4.063
   34   3HG2  ILE  67          3HG2      ILE  67   1.125  10.832   3.167
   35   1HD1  ILE  67          1HD1      ILE  67  -1.424  12.019   7.023
   36   2HD1  ILE  67          2HD1      ILE  67  -0.474  12.449   5.600
   37   3HD1  ILE  67          3HD1      ILE  67  -2.238  12.448   5.517
   38    H    ALA  68           HN       ALA  68  -2.053   8.341   2.359
   39    HA   ALA  68           HA       ALA  68  -0.456   7.519   0.222
   40   1HB   ALA  68          1HB       ALA  68  -3.169   7.875   0.664
   41   2HB   ALA  68          2HB       ALA  68  -2.797   8.949  -0.686
   42   3HB   ALA  68          3HB       ALA  68  -2.409   7.231  -0.792
   43    H    LEU  69           HN       LEU  69   0.199   8.565  -1.680
   44    HA   LEU  69           HA       LEU  69   0.602  11.474  -1.412
   45   1HB   LEU  69          2HB       LEU  69   2.419   9.354  -2.542
   46   2HB   LEU  69          3HB       LEU  69   2.685  11.071  -2.784
   47    HG   LEU  69           HG       LEU  69   2.633   9.683  -0.099
   48   1HD1  LEU  69          1HD1      LEU  69   5.105  10.518  -0.206
   49   2HD1  LEU  69          2HD1      LEU  69   4.657   8.999  -0.980
   50   3HD1  LEU  69          3HD1      LEU  69   4.853  10.462  -1.949
   51   1HD2  LEU  69          1HD2      LEU  69   1.869  11.956   0.092
   52   2HD2  LEU  69          2HD2      LEU  69   3.519  11.858   0.707
   53   3HD2  LEU  69          3HD2      LEU  69   3.213  12.535  -0.890
   54    H    HIS  70           HN       HIS  70  -1.237   9.382  -2.996
   55    HA   HIS  70           HA       HIS  70  -1.667  11.108  -5.230
   56   1HB   HIS  70          2HB       HIS  70  -1.269   8.638  -6.555
   57   2HB   HIS  70          3HB       HIS  70  -0.365  10.130  -6.767
   58    HD1  HIS  70           1HD      HIS  70   1.921   9.108  -7.075
   59    HD2  HIS  70           2HD      HIS  70   0.057   7.825  -3.596
   60    HE1  HIS  70           1HE      HIS  70   3.689   7.880  -5.786
   61    HE2  HIS  70           2HE      HIS  70   2.584   7.275  -3.608
   62    H    SER  71           HN       SER  71  -3.662  10.762  -6.194
   63    HA   SER  71           HA       SER  71  -5.632   9.461  -4.705
   64   1HB   SER  71          2HB       SER  71  -6.123   9.766  -7.616
   65   2HB   SER  71          3HB       SER  71  -7.112  10.270  -6.247
   66    HG   SER  71           HG       SER  71  -4.960  11.586  -7.476
   67    H    TYR  72           HN       TYR  72  -6.152   7.386  -4.506
   68    HA   TYR  72           HA       TYR  72  -5.028   5.497  -6.456
   69   1HB   TYR  72          2HB       TYR  72  -4.454   5.233  -4.022
   70   2HB   TYR  72          3HB       TYR  72  -6.138   4.831  -3.737
   71    HD1  TYR  72           1HD      TYR  72  -3.798   3.824  -6.471
   72    HD2  TYR  72           2HD      TYR  72  -6.254   2.580  -3.229
   73    HE1  TYR  72           1HE      TYR  72  -3.358   1.477  -7.044
   74    HE2  TYR  72           2HE      TYR  72  -5.807   0.230  -3.787
   75    HH   TYR  72           HH       TYR  72  -4.605  -0.770  -6.671
   76    H    GLU  73           HN       GLU  73  -6.187   3.859  -7.367
   77    HA   GLU  73           HA       GLU  73  -9.072   3.790  -6.987
   78   1HB   GLU  73          2HB       GLU  73  -7.732   4.854  -9.242
   79   2HB   GLU  73          3HB       GLU  73  -8.549   3.386  -9.733
   80   1HG   GLU  73          2HG       GLU  73 -10.650   4.228  -9.080
   81   2HG   GLU  73          3HG       GLU  73  -9.908   5.555  -8.188
   82    HA   PRO  74           HA       PRO  74  -7.469  -0.427  -6.220
   83   1HB   PRO  74          2HB       PRO  74 -10.281  -1.115  -6.268
   84   2HB   PRO  74          3HB       PRO  74  -9.165  -1.095  -4.902
   85   1HG   PRO  74          2HG       PRO  74 -11.095   0.947  -5.756
   86   2HG   PRO  74          3HG       PRO  74 -10.330   0.709  -4.177
   87   1HD   PRO  74          2HD       PRO  74  -9.678   2.780  -5.797
   88   2HD   PRO  74          3HD       PRO  74  -8.481   1.979  -4.751
   89    H    SER  75           HN       SER  75  -6.912  -1.899  -7.660
   90    HA   SER  75           HA       SER  75  -8.584  -2.282 -10.049
   91   1HB   SER  75          2HB       SER  75  -5.560  -2.309 -10.080
   92   2HB   SER  75          3HB       SER  75  -6.647  -2.395 -11.466
   93    HG   SER  75           HG       SER  75  -6.696  -0.306 -11.475
   94    H    HIS  76           HN       HIS  76  -6.057  -3.629  -7.956
   95    HA   HIS  76           HA       HIS  76  -6.419  -6.297  -8.982
   96   1HB   HIS  76          2HB       HIS  76  -4.664  -4.997  -6.963
   97   2HB   HIS  76          3HB       HIS  76  -4.991  -6.713  -6.746
   98    HD1  HIS  76           1HD      HIS  76  -3.145  -8.037  -7.694
   99    HD2  HIS  76           2HD      HIS  76  -3.933  -4.654  -9.973
  100    HE1  HIS  76           1HE      HIS  76  -1.537  -8.138  -9.625
  101    HE2  HIS  76           2HE      HIS  76  -1.967  -6.031 -10.938
  102    H    ASP  77           HN       ASP  77  -7.105  -8.112  -7.684
  103    HA   ASP  77           HA       ASP  77  -9.560  -7.647  -6.372
  104   1HB   ASP  77          2HB       ASP  77  -8.645  -9.778  -7.588
  105   2HB   ASP  77          3HB       ASP  77  -8.023 -10.192  -5.994
  106    H    GLY  78           HN       GLY  78 -10.057  -7.292  -4.296
  107   1HA   GLY  78          1HA       GLY  78  -9.848  -7.224  -1.993
  108   2HA   GLY  78          2HA       GLY  78  -8.370  -8.160  -2.139
  109    H    ASP  79           HN       ASP  79  -8.880  -5.133  -3.839
  110    HA   ASP  79           HA       ASP  79  -6.644  -4.002  -2.333
  111   1HB   ASP  79          2HB       ASP  79  -7.931  -3.219  -4.948
  112   2HB   ASP  79          3HB       ASP  79  -6.702  -2.240  -4.151
  113    H    LEU  80           HN       LEU  80  -6.717  -1.793  -1.630
  114    HA   LEU  80           HA       LEU  80  -9.427  -0.937  -0.864
  115   1HB   LEU  80          2HB       LEU  80  -8.525  -1.305   1.190
  116   2HB   LEU  80          3HB       LEU  80  -6.881  -1.126   0.621
  117    HG   LEU  80           HG       LEU  80  -7.466   1.413   0.523
  118   1HD1  LEU  80          1HD1      LEU  80  -9.049   1.729   2.645
  119   2HD1  LEU  80          2HD1      LEU  80  -9.666   1.696   0.992
  120   3HD1  LEU  80          3HD1      LEU  80  -9.754   0.248   1.993
  121   1HD2  LEU  80          1HD2      LEU  80  -6.538  -0.342   2.641
  122   2HD2  LEU  80          2HD2      LEU  80  -5.889   1.198   2.082
  123   3HD2  LEU  80          3HD2      LEU  80  -7.206   1.170   3.256
  124    H    GLY  81           HN       GLY  81 -10.080   1.041  -1.485
  125   1HA   GLY  81          1HA       GLY  81  -8.186   2.640  -3.038
  126   2HA   GLY  81          2HA       GLY  81  -9.929   2.809  -3.061
  127    H    PHE  82           HN       PHE  82  -7.656   4.710  -2.619
  128    HA   PHE  82           HA       PHE  82  -8.862   6.099  -0.372
  129   1HB   PHE  82          2HB       PHE  82  -6.416   6.649   0.386
  130   2HB   PHE  82          3HB       PHE  82  -7.191   5.164   0.917
  131    HD1  PHE  82           1HD      PHE  82  -4.311   6.551  -0.551
  132    HD2  PHE  82           2HD      PHE  82  -6.756   3.070  -0.590
  133    HE1  PHE  82           1HE      PHE  82  -2.432   5.244  -1.480
  134    HE2  PHE  82           2HE      PHE  82  -4.892   1.770  -1.524
  135    HZ   PHE  82           HZ       PHE  82  -2.729   2.853  -1.963
  136    H    GLU  83           HN       GLU  83  -7.605   8.302  -0.118
  137    HA   GLU  83           HA       GLU  83  -7.364   9.386  -2.843
  138   1HB   GLU  83          2HB       GLU  83  -8.692  10.280  -0.415
  139   2HB   GLU  83          3HB       GLU  83  -7.645  11.519  -1.085
  140   1HG   GLU  83          2HG       GLU  83  -8.989  10.536  -3.284
  141   2HG   GLU  83          3HG       GLU  83 -10.206  10.542  -2.010
  142    H    LYS  84           HN       LYS  84  -6.012  11.549  -2.755
  143    HA   LYS  84           HA       LYS  84  -3.358  10.774  -1.996
  144   1HB   LYS  84          2HB       LYS  84  -3.401  12.004  -3.969
  145   2HB   LYS  84          3HB       LYS  84  -4.577  13.149  -3.349
  146   1HG   LYS  84          2HG       LYS  84  -2.610  13.794  -1.723
  147   2HG   LYS  84          3HG       LYS  84  -1.622  13.065  -2.990
  148   1HD   LYS  84          2HD       LYS  84  -3.066  14.575  -4.557
  149   2HD   LYS  84          3HD       LYS  84  -3.343  15.501  -3.082
  150   1HE   LYS  84          2HE       LYS  84  -0.666  15.160  -2.959
  151   2HE   LYS  84          3HE       LYS  84  -0.902  15.194  -4.706
  152   1HZ   LYS  84          1HZ       LYS  84  -2.355  17.277  -4.062
  153   2HZ   LYS  84          2HZ       LYS  84  -0.684  17.403  -4.298
  154   3HZ   LYS  84          3HZ       LYS  84  -1.310  17.310  -2.730
  155    H    GLY  85           HN       GLY  85  -2.220  11.377  -0.232
  156   1HA   GLY  85          1HA       GLY  85  -1.711  12.465   1.766
  157   2HA   GLY  85          2HA       GLY  85  -3.047  13.574   1.457
  158    H    GLU  86           HN       GLU  86  -4.504  10.756   1.011
  159    HA   GLU  86           HA       GLU  86  -5.940  10.741   3.402
  160   1HB   GLU  86          2HB       GLU  86  -6.211   9.539   0.982
  161   2HB   GLU  86          3HB       GLU  86  -5.666   8.181   1.946
  162   1HG   GLU  86          2HG       GLU  86  -8.254   9.146   1.658
  163   2HG   GLU  86          3HG       GLU  86  -7.692   7.876   2.723
  164    H    GLN  87           HN       GLN  87  -6.033   8.848   4.909
  165    HA   GLN  87           HA       GLN  87  -3.319   7.840   5.428
  166   1HB   GLN  87          2HB       GLN  87  -5.292   8.385   7.624
  167   2HB   GLN  87          3HB       GLN  87  -3.561   8.126   7.748
  168   1HG   GLN  87          2HG       GLN  87  -3.063  10.259   7.310
  169   2HG   GLN  87          3HG       GLN  87  -4.342  10.420   6.112
  170   1HE2  GLN  87          1HE2      GLN  87  -3.795  10.193   9.596
  171   2HE2  GLN  87          2HE2      GLN  87  -5.110  11.217  10.050
  172    H    LEU  88           HN       LEU  88  -3.093   5.828   6.221
  173    HA   LEU  88           HA       LEU  88  -5.426   4.116   6.567
  174   1HB   LEU  88          2HB       LEU  88  -3.300   3.001   4.832
  175   2HB   LEU  88          3HB       LEU  88  -5.013   2.643   4.872
  176    HG   LEU  88           HG       LEU  88  -4.402   5.338   3.891
  177   1HD1  LEU  88          1HD1      LEU  88  -3.837   3.288   1.868
  178   2HD1  LEU  88          2HD1      LEU  88  -3.126   4.885   2.101
  179   3HD1  LEU  88          3HD1      LEU  88  -2.577   3.525   3.082
  180   1HD2  LEU  88          1HD2      LEU  88  -6.050   4.731   2.241
  181   2HD2  LEU  88          2HD2      LEU  88  -5.965   3.038   2.741
  182   3HD2  LEU  88          3HD2      LEU  88  -6.621   4.256   3.842
  183    H    ARG  89           HN       ARG  89  -5.101   2.796   8.199
  184    HA   ARG  89           HA       ARG  89  -2.534   2.708   9.462
  185   1HB   ARG  89          2HB       ARG  89  -4.378   2.866  10.930
  186   2HB   ARG  89          3HB       ARG  89  -5.238   1.562  10.122
  187   1HG   ARG  89          2HG       ARG  89  -3.620  -0.030  10.921
  188   2HG   ARG  89          3HG       ARG  89  -2.696   1.262  11.668
  189   1HD   ARG  89          2HD       ARG  89  -4.805   1.810  12.958
  190   2HD   ARG  89          3HD       ARG  89  -5.416   0.255  12.420
  191    HE   ARG  89           HE       ARG  89  -2.829   0.206  13.718
  192   1HH1  ARG  89          2HH1      ARG  89  -6.286  -0.117  14.101
  193   2HH1  ARG  89          1HH1      ARG  89  -6.163  -1.030  15.566
  194   1HH2  ARG  89          2HH2      ARG  89  -2.670  -0.994  15.648
  195   2HH2  ARG  89          1HH2      ARG  89  -4.112  -1.528  16.445
  196    H    ILE  90           HN       ILE  90  -1.108   1.547   8.387
  197    HA   ILE  90           HA       ILE  90  -1.536  -0.643   6.760
  198    HB   ILE  90           HB       ILE  90   0.983  -0.134   8.351
  199   1HG1  ILE  90          2HG1      ILE  90   0.274   1.878   7.152
  200   2HG1  ILE  90          3HG1      ILE  90   1.722   1.203   6.435
  201   1HG2  ILE  90          1HG2      ILE  90   1.123  -1.156   5.607
  202   2HG2  ILE  90          2HG2      ILE  90   2.024  -1.637   7.048
  203   3HG2  ILE  90          3HG2      ILE  90   0.398  -2.264   6.774
  204   1HD1  ILE  90          1HD1      ILE  90  -0.440   0.050   5.075
  205   2HD1  ILE  90          2HD1      ILE  90  -0.804   1.769   5.230
  206   3HD1  ILE  90          3HD1      ILE  90   0.703   1.251   4.475
  207    H    LEU  91           HN       LEU  91  -2.428  -2.463   7.237
  208    HA   LEU  91           HA       LEU  91  -2.344  -3.637   9.869
  209   1HB   LEU  91          2HB       LEU  91  -3.355  -4.850   7.299
  210   2HB   LEU  91          3HB       LEU  91  -3.799  -5.304   8.934
  211    HG   LEU  91           HG       LEU  91  -4.452  -2.673   7.607
  212   1HD1  LEU  91          1HD1      LEU  91  -6.013  -5.188   7.929
  213   2HD1  LEU  91          2HD1      LEU  91  -6.836  -3.626   7.910
  214   3HD1  LEU  91          3HD1      LEU  91  -5.855  -4.123   6.531
  215   1HD2  LEU  91          1HD2      LEU  91  -4.584  -3.593  10.366
  216   2HD2  LEU  91          2HD2      LEU  91  -4.683  -1.960   9.708
  217   3HD2  LEU  91          3HD2      LEU  91  -6.123  -2.976   9.765
  218    H    GLU  92           HN       GLU  92  -1.151  -4.326   6.643
  219    HA   GLU  92           HA       GLU  92   1.102  -5.772   7.766
  220   1HB   GLU  92          2HB       GLU  92  -1.084  -7.106   6.526
  221   2HB   GLU  92          3HB       GLU  92   0.305  -7.214   5.451
  222   1HG   GLU  92          2HG       GLU  92   1.107  -8.849   6.692
  223   2HG   GLU  92          3HG       GLU  92   1.270  -7.705   8.027
  224    H    GLN  93           HN       GLN  93   2.953  -5.412   6.668
  225    HA   GLN  93           HA       GLN  93   2.716  -3.933   4.152
  226   1HB   GLN  93          2HB       GLN  93   4.991  -2.942   4.992
  227   2HB   GLN  93          3HB       GLN  93   3.462  -2.270   5.530
  228   1HG   GLN  93          2HG       GLN  93   3.615  -3.782   7.498
  229   2HG   GLN  93          3HG       GLN  93   5.234  -4.164   6.960
  230   1HE2  GLN  93          1HE2      GLN  93   6.364  -3.296   8.635
  231   2HE2  GLN  93          2HE2      GLN  93   6.384  -1.609   9.009
  232    H    SER  94           HN       SER  94   2.982  -6.732   4.362
  233    HA   SER  94           HA       SER  94   5.756  -7.248   3.598
  234   1HB   SER  94          2HB       SER  94   4.263  -9.625   3.404
  235   2HB   SER  94          3HB       SER  94   5.389  -9.179   4.683
  236    HG   SER  94           HG       SER  94   3.609  -8.162   5.746
  237    H    GLY  95           HN       GLY  95   6.314  -7.264   1.527
  238   1HA   GLY  95          1HA       GLY  95   6.110  -7.897  -0.743
  239   2HA   GLY  95          2HA       GLY  95   4.396  -8.165  -0.484
  240    H    GLU  96           HN       GLU  96   5.489  -6.841  -2.661
  241    HA   GLU  96           HA       GLU  96   5.657  -4.102  -2.612
  242   1HB   GLU  96          2HB       GLU  96   6.107  -4.857  -4.695
  243   2HB   GLU  96          3HB       GLU  96   4.913  -6.143  -4.589
  244   1HG   GLU  96          2HG       GLU  96   3.162  -4.659  -5.056
  245   2HG   GLU  96          3HG       GLU  96   4.234  -3.263  -4.981
  246    H    TRP  97           HN       TRP  97   2.870  -6.028  -1.972
  247    HA   TRP  97           HA       TRP  97   1.176  -3.629  -2.135
  248   1HB   TRP  97          2HB       TRP  97   0.574  -6.542  -2.534
  249   2HB   TRP  97          3HB       TRP  97  -0.704  -5.416  -2.089
  250    HD1  TRP  97           1HD      TRP  97   1.671  -6.258  -4.971
  251    HE1  TRP  97           1HE      TRP  97   0.834  -5.082  -7.102
  252    HE3  TRP  97           3HE      TRP  97  -2.077  -3.451  -2.929
  253    HZ2  TRP  97           2HZ      TRP  97  -1.152  -3.206  -7.819
  254    HZ3  TRP  97           3HZ      TRP  97  -3.396  -1.991  -4.396
  255    HH2  TRP  97           2HH      TRP  97  -2.938  -1.868  -6.793
  256    H    TRP  98           HN       TRP  98   1.054  -2.723  -0.182
  257    HA   TRP  98           HA       TRP  98   1.148  -4.363   2.215
  258   1HB   TRP  98          2HB       TRP  98   1.158  -1.382   1.787
  259   2HB   TRP  98          3HB       TRP  98   1.092  -2.124   3.377
  260    HD1  TRP  98           1HD      TRP  98   3.268  -4.271   1.416
  261    HE1  TRP  98           1HE      TRP  98   5.747  -3.719   1.844
  262    HE3  TRP  98           3HE      TRP  98   2.680   0.228   3.704
  263    HZ2  TRP  98           2HZ      TRP  98   7.256  -1.611   2.996
  264    HZ3  TRP  98           3HZ      TRP  98   4.673   1.472   4.438
  265    HH2  TRP  98           2HH      TRP  98   6.919   0.564   4.094
  266    H    LYS  99           HN       LYS  99  -0.465  -4.684   3.625
  267    HA   LYS  99           HA       LYS  99  -3.163  -4.048   2.779
  268   1HB   LYS  99          2HB       LYS  99  -2.735  -6.283   3.652
  269   2HB   LYS  99          3HB       LYS  99  -2.085  -5.608   5.135
  270   1HG   LYS  99          2HG       LYS  99  -4.482  -6.541   5.139
  271   2HG   LYS  99          3HG       LYS  99  -4.164  -4.999   5.937
  272   1HD   LYS  99          2HD       LYS  99  -5.128  -3.773   4.241
  273   2HD   LYS  99          3HD       LYS  99  -5.033  -5.100   3.080
  274   1HE   LYS  99          2HE       LYS  99  -6.587  -5.930   5.330
  275   2HE   LYS  99          3HE       LYS  99  -7.198  -4.383   4.750
  276   1HZ   LYS  99          1HZ       LYS  99  -6.832  -5.765   2.462
  277   2HZ   LYS  99          2HZ       LYS  99  -8.306  -5.627   3.282
  278   3HZ   LYS  99          3HZ       LYS  99  -7.329  -6.985   3.525
  279    H    ALA 100           HN       ALA 100  -4.056  -2.148   3.357
  280    HA   ALA 100           HA       ALA 100  -3.230  -0.990   5.939
  281   1HB   ALA 100          1HB       ALA 100  -4.253   0.815   3.823
  282   2HB   ALA 100          2HB       ALA 100  -3.028   1.091   5.064
  283   3HB   ALA 100          3HB       ALA 100  -2.625   0.158   3.621
  284    H    GLN 101           HN       GLN 101  -4.760  -0.120   7.256
  285    HA   GLN 101           HA       GLN 101  -7.542  -0.584   6.425
  286   1HB   GLN 101          2HB       GLN 101  -7.045  -1.892   8.372
  287   2HB   GLN 101          3HB       GLN 101  -6.301  -0.529   9.185
  288   1HG   GLN 101          2HG       GLN 101  -8.575   0.551   9.005
  289   2HG   GLN 101          3HG       GLN 101  -9.200  -1.030   8.609
  290   1HE2  GLN 101          1HE2      GLN 101  -7.686   0.933  11.061
  291   2HE2  GLN 101          2HE2      GLN 101  -8.061  -0.090  12.399
  292    H    SER 102           HN       SER 102  -8.411   1.232   5.742
  293    HA   SER 102           HA       SER 102  -7.441   3.776   6.032
  294   1HB   SER 102          2HB       SER 102  -9.855   2.511   5.094
  295   2HB   SER 102          3HB       SER 102 -10.214   4.019   5.897
  296    HG   SER 102           HG       SER 102  -9.753   4.259   3.640
  297    H    LEU 103           HN       LEU 103  -8.547   5.609   7.216
  298    HA   LEU 103           HA       LEU 103  -9.284   4.720   9.926
  299   1HB   LEU 103          2HB       LEU 103  -7.377   6.865   9.078
  300   2HB   LEU 103          3HB       LEU 103  -8.089   6.833  10.677
  301    HG   LEU 103           HG       LEU 103  -7.189   4.279  10.483
  302   1HD1  LEU 103          1HD1      LEU 103  -6.132   4.460   8.409
  303   2HD1  LEU 103          2HD1      LEU 103  -5.402   6.012   8.821
  304   3HD1  LEU 103          3HD1      LEU 103  -4.835   4.535   9.602
  305   1HD2  LEU 103          1HD2      LEU 103  -6.793   6.141  12.238
  306   2HD2  LEU 103          2HD2      LEU 103  -5.626   4.822  12.086
  307   3HD2  LEU 103          3HD2      LEU 103  -5.279   6.399  11.368
  308    H    THR 104           HN       THR 104  -9.911   6.866   7.309
  309    HA   THR 104           HA       THR 104 -11.714   8.547   8.818
  310    HB   THR 104           HB       THR 104 -11.607   8.387   5.823
  311    HG1  THR 104           1HG      THR 104  -9.702   9.677   7.481
  312   1HG2  THR 104          1HG2      THR 104 -12.108  10.528   7.830
  313   2HG2  THR 104          2HG2      THR 104 -13.150   9.960   6.522
  314   3HG2  THR 104          3HG2      THR 104 -11.700  10.896   6.155
  315    H    THR 105           HN       THR 105 -11.772   5.946   6.518
  316    HA   THR 105           HA       THR 105 -14.675   5.572   6.819
  317    HB   THR 105           HB       THR 105 -14.700   4.800   4.677
  318    HG1  THR 105           1HG      THR 105 -11.970   4.105   4.819
  319   1HG2  THR 105          1HG2      THR 105 -12.203   6.450   4.609
  320   2HG2  THR 105          2HG2      THR 105 -13.855   7.044   4.431
  321   3HG2  THR 105          3HG2      THR 105 -13.158   5.991   3.199
  322    H    GLY 106           HN       GLY 106 -11.556   4.149   6.910
  323   1HA   GLY 106          1HA       GLY 106 -10.690   2.459   8.126
  324   2HA   GLY 106          2HA       GLY 106 -12.284   2.068   8.709
  325    H    GLN 107           HN       GLN 107 -12.547   2.260   5.429
  326    HA   GLN 107           HA       GLN 107 -13.038  -0.375   4.971
  327   1HB   GLN 107          2HB       GLN 107 -12.318   1.929   3.286
  328   2HB   GLN 107          3HB       GLN 107 -12.343   0.342   2.541
  329   1HG   GLN 107          2HG       GLN 107 -14.514   0.708   2.252
  330   2HG   GLN 107          3HG       GLN 107 -14.639   0.347   3.973
  331   1HE2  GLN 107          1HE2      GLN 107 -13.992   3.045   1.767
  332   2HE2  GLN 107          2HE2      GLN 107 -14.847   4.231   2.688
  333    H    GLU 108           HN       GLU 108 -11.860  -2.117   4.917
  334    HA   GLU 108           HA       GLU 108  -8.957  -1.875   4.912
  335   1HB   GLU 108          2HB       GLU 108 -10.743  -4.244   5.440
  336   2HB   GLU 108          3HB       GLU 108  -8.999  -4.266   5.554
  337   1HG   GLU 108          2HG       GLU 108  -9.054  -3.464   7.600
  338   2HG   GLU 108          3HG       GLU 108 -10.063  -2.108   7.109
  339    H    GLY 109           HN       GLY 109  -7.586  -2.939   3.512
  340   1HA   GLY 109          1HA       GLY 109  -8.224  -4.746   1.520
  341   2HA   GLY 109          2HA       GLY 109  -8.483  -3.157   0.820
  342    H    PHE 110           HN       PHE 110  -6.676  -4.496  -0.469
  343    HA   PHE 110           HA       PHE 110  -4.032  -4.140   0.637
  344   1HB   PHE 110          2HB       PHE 110  -5.244  -5.524  -1.664
  345   2HB   PHE 110          3HB       PHE 110  -3.649  -4.856  -1.960
  346    HD1  PHE 110           1HD      PHE 110  -5.058  -6.342   1.140
  347    HD2  PHE 110           2HD      PHE 110  -2.226  -6.687  -2.020
  348    HE1  PHE 110           1HE      PHE 110  -4.047  -8.285   2.261
  349    HE2  PHE 110           2HE      PHE 110  -1.211  -8.630  -0.903
  350    HZ   PHE 110           HZ       PHE 110  -2.122  -9.432   1.239
  351    H    ILE 111           HN       ILE 111  -2.493  -2.675  -0.092
  352    HA   ILE 111           HA       ILE 111  -3.367  -0.710  -2.090
  353    HB   ILE 111           HB       ILE 111  -2.619   1.157  -0.727
  354   1HG1  ILE 111          2HG1      ILE 111  -2.366  -0.573   1.695
  355   2HG1  ILE 111          3HG1      ILE 111  -1.023  -0.511   0.566
  356   1HG2  ILE 111          1HG2      ILE 111  -4.968   0.088  -0.541
  357   2HG2  ILE 111          2HG2      ILE 111  -4.438  -0.389   1.072
  358   3HG2  ILE 111          3HG2      ILE 111  -4.483   1.317   0.626
  359   1HD1  ILE 111          1HD1      ILE 111  -1.321   2.069   0.816
  360   2HD1  ILE 111          2HD1      ILE 111  -2.103   1.611   2.331
  361   3HD1  ILE 111          3HD1      ILE 111  -0.433   1.131   2.020
  362    HA   PRO 112           HA       PRO 112   0.616  -1.123  -3.893
  363   1HB   PRO 112          2HB       PRO 112   0.904   1.591  -4.560
  364   2HB   PRO 112          3HB       PRO 112   0.190   0.339  -5.577
  365   1HG   PRO 112          2HG       PRO 112  -1.143   2.360  -3.866
  366   2HG   PRO 112          3HG       PRO 112  -1.683   1.636  -5.378
  367   1HD   PRO 112          2HD       PRO 112  -2.716   0.937  -2.998
  368   2HD   PRO 112          3HD       PRO 112  -2.548  -0.213  -4.333
  369    H    PHE 113           HN       PHE 113   2.273  -1.448  -2.502
  370    HA   PHE 113           HA       PHE 113   2.802  -0.054  -0.184
  371   1HB   PHE 113          2HB       PHE 113   4.803  -1.255  -0.023
  372   2HB   PHE 113          3HB       PHE 113   3.770  -2.290  -1.001
  373    HD1  PHE 113           1HD      PHE 113   6.954  -1.800  -0.674
  374    HD2  PHE 113           2HD      PHE 113   4.020  -0.996  -3.649
  375    HE1  PHE 113           1HE      PHE 113   8.699  -1.860  -2.407
  376    HE2  PHE 113           2HE      PHE 113   5.760  -1.054  -5.387
  377    HZ   PHE 113           HZ       PHE 113   8.103  -1.488  -4.767
  378    H    ASN 114           HN       ASN 114   3.548   0.892  -3.426
  379    HA   ASN 114           HA       ASN 114   5.379   2.971  -2.468
  380   1HB   ASN 114          2HB       ASN 114   5.735   3.340  -4.967
  381   2HB   ASN 114          3HB       ASN 114   6.322   1.818  -4.307
  382   1HD2  ASN 114          1HD2      ASN 114   5.087   2.958  -6.957
  383   2HD2  ASN 114          2HD2      ASN 114   4.047   1.670  -7.453
  384    H    PHE 115           HN       PHE 115   2.532   3.114  -1.954
  385    HA   PHE 115           HA       PHE 115   1.858   5.508  -3.543
  386   1HB   PHE 115          2HB       PHE 115   0.394   3.121  -3.212
  387   2HB   PHE 115          3HB       PHE 115  -0.446   4.346  -2.277
  388    HD1  PHE 115           1HD      PHE 115   1.397   4.550  -5.513
  389    HD2  PHE 115           2HD      PHE 115  -2.292   4.977  -3.447
  390    HE1  PHE 115           1HE      PHE 115   0.350   5.418  -7.565
  391    HE2  PHE 115           2HE      PHE 115  -3.344   5.841  -5.480
  392    HZ   PHE 115           HZ       PHE 115  -2.026   6.067  -7.553
  393    H    VAL 116           HN       VAL 116   2.376   4.226  -0.389
  394    HA   VAL 116           HA       VAL 116   1.239   6.681   0.774
  395    HB   VAL 116           HB       VAL 116   0.890   5.403   2.857
  396   1HG1  VAL 116          1HG1      VAL 116  -0.981   5.732   1.435
  397   2HG1  VAL 116          2HG1      VAL 116  -0.465   4.436   0.356
  398   3HG1  VAL 116          3HG1      VAL 116  -1.029   4.056   1.982
  399   1HG2  VAL 116          1HG2      VAL 116   2.251   3.323   1.301
  400   2HG2  VAL 116          2HG2      VAL 116   2.100   3.511   3.048
  401   3HG2  VAL 116          3HG2      VAL 116   0.792   2.774   2.122
  402    H    ALA 117           HN       ALA 117   2.257   7.685   2.456
  403    HA   ALA 117           HA       ALA 117   4.961   6.808   3.173
  404   1HB   ALA 117          1HB       ALA 117   4.228   9.611   2.317
  405   2HB   ALA 117          2HB       ALA 117   5.793   9.108   2.957
  406   3HB   ALA 117          3HB       ALA 117   5.228   8.477   1.409
  407    H    LYS 118           HN       LYS 118   5.506   7.232   5.298
  408    HA   LYS 118           HA       LYS 118   3.690   7.274   7.278
  409   1HB   LYS 118          2HB       LYS 118   6.373   8.663   7.344
  410   2HB   LYS 118          3HB       LYS 118   5.426   8.244   8.764
  411   1HG   LYS 118          2HG       LYS 118   6.727   6.378   6.802
  412   2HG   LYS 118          3HG       LYS 118   7.089   6.581   8.518
  413   1HD   LYS 118          2HD       LYS 118   4.853   5.734   9.072
  414   2HD   LYS 118          3HD       LYS 118   4.522   5.506   7.355
  415   1HE   LYS 118          2HE       LYS 118   6.355   3.904   7.204
  416   2HE   LYS 118          3HE       LYS 118   6.724   4.151   8.910
  417   1HZ   LYS 118          1HZ       LYS 118   5.444   2.175   8.704
  418   2HZ   LYS 118          2HZ       LYS 118   4.266   2.947   7.768
  419   3HZ   LYS 118          3HZ       LYS 118   4.442   3.346   9.401
  420    H    ALA 119           HN       ALA 119   2.456   8.668   8.424
  421    HA   ALA 119           HA       ALA 119   1.752  11.159   7.232
  422   1HB   ALA 119          1HB       ALA 119  -0.070  10.270   8.308
  423   2HB   ALA 119          2HB       ALA 119   0.887   9.672   9.670
  424   3HB   ALA 119          3HB       ALA 119   0.500  11.387   9.546
  425    H    ASN 120           HN       ASN 120   4.341  11.531   7.537
  426    HA   ASN 120           HA       ASN 120   4.748  13.060  10.009
  427   1HB   ASN 120          2HB       ASN 120   6.586  11.733   8.060
  428   2HB   ASN 120          3HB       ASN 120   7.181  13.115   8.977
  429   1HD2  ASN 120          1HD2      ASN 120   5.116  10.320   9.712
  430   2HD2  ASN 120          2HD2      ASN 120   6.009   9.813  11.102
  Start of MODEL   13
    1    H    ASN  64           HN       ASN  64   1.142   2.924  12.895
    2    HA   ASN  64           HA       ASN  64   3.383   2.265  11.292
    3   1HB   ASN  64          2HB       ASN  64   1.351   0.121  11.796
    4   2HB   ASN  64          3HB       ASN  64   2.043   0.271  10.188
    5   1HD2  ASN  64          1HD2      ASN  64   2.344  -1.965  11.843
    6   2HD2  ASN  64          2HD2      ASN  64   4.019  -2.122  12.235
    7    H    LEU  65           HN       LEU  65   1.240   4.252  11.646
    8    HA   LEU  65           HA       LEU  65  -0.454   3.918   9.353
    9   1HB   LEU  65          2HB       LEU  65  -1.480   4.991  11.148
   10   2HB   LEU  65          3HB       LEU  65  -0.161   6.111  11.372
   11    HG   LEU  65           HG       LEU  65  -0.748   7.175   9.252
   12   1HD1  LEU  65          1HD1      LEU  65  -3.357   6.218   8.833
   13   2HD1  LEU  65          2HD1      LEU  65  -1.962   6.088   7.760
   14   3HD1  LEU  65          3HD1      LEU  65  -2.296   4.814   8.935
   15   1HD2  LEU  65          1HD2      LEU  65  -1.672   8.107  11.280
   16   2HD2  LEU  65          2HD2      LEU  65  -2.877   8.197   9.995
   17   3HD2  LEU  65          3HD2      LEU  65  -3.002   6.951  11.237
   18    H    VAL  66           HN       VAL  66  -0.454   4.969   7.537
   19    HA   VAL  66           HA       VAL  66   1.870   6.644   6.858
   20    HB   VAL  66           HB       VAL  66   1.525   5.668   4.537
   21   1HG1  VAL  66          1HG1      VAL  66   2.857   3.592   5.165
   22   2HG1  VAL  66          2HG1      VAL  66   3.518   5.148   5.666
   23   3HG1  VAL  66          3HG1      VAL  66   2.674   4.131   6.835
   24   1HG2  VAL  66          1HG2      VAL  66   0.051   3.617   6.165
   25   2HG2  VAL  66          2HG2      VAL  66  -0.583   4.576   4.828
   26   3HG2  VAL  66          3HG2      VAL  66   0.639   3.342   4.526
   27    H    ILE  67           HN       ILE  67   1.350   7.544   4.489
   28    HA   ILE  67           HA       ILE  67  -1.394   8.447   4.300
   29    HB   ILE  67           HB       ILE  67   0.723  10.162   5.296
   30   1HG1  ILE  67          2HG1      ILE  67  -2.252  10.333   4.921
   31   2HG1  ILE  67          3HG1      ILE  67  -1.384   9.955   6.379
   32   1HG2  ILE  67          1HG2      ILE  67   0.988  10.916   3.014
   33   2HG2  ILE  67          2HG2      ILE  67  -0.757  11.103   2.839
   34   3HG2  ILE  67          3HG2      ILE  67   0.136  12.152   3.941
   35   1HD1  ILE  67          1HD1      ILE  67  -0.597  12.536   5.453
   36   2HD1  ILE  67          2HD1      ILE  67  -2.358  12.435   5.540
   37   3HD1  ILE  67          3HD1      ILE  67  -1.381  12.084   6.967
   38    H    ALA  68           HN       ALA  68  -2.060   8.443   2.307
   39    HA   ALA  68           HA       ALA  68  -0.481   7.557   0.182
   40   1HB   ALA  68          1HB       ALA  68  -3.170   7.950   0.595
   41   2HB   ALA  68          2HB       ALA  68  -2.786   9.092  -0.692
   42   3HB   ALA  68          3HB       ALA  68  -2.417   7.381  -0.894
   43    H    LEU  69           HN       LEU  69   0.336   8.559  -1.651
   44    HA   LEU  69           HA       LEU  69   1.014  11.384  -1.263
   45   1HB   LEU  69          2HB       LEU  69   2.287   9.182  -2.873
   46   2HB   LEU  69          3HB       LEU  69   2.752  10.865  -3.047
   47    HG   LEU  69           HG       LEU  69   3.022   9.155  -0.571
   48   1HD1  LEU  69          1HD1      LEU  69   5.457   9.812  -0.906
   49   2HD1  LEU  69          2HD1      LEU  69   4.787   8.631  -2.030
   50   3HD1  LEU  69          3HD1      LEU  69   4.987  10.311  -2.530
   51   1HD2  LEU  69          1HD2      LEU  69   2.417  11.332   0.177
   52   2HD2  LEU  69          2HD2      LEU  69   4.163  11.175   0.375
   53   3HD2  LEU  69          3HD2      LEU  69   3.508  12.099  -0.977
   54    H    HIS  70           HN       HIS  70  -0.766   9.239  -3.295
   55    HA   HIS  70           HA       HIS  70  -1.643  11.513  -4.898
   56   1HB   HIS  70          2HB       HIS  70  -1.591   9.634  -6.855
   57   2HB   HIS  70          3HB       HIS  70  -0.335  10.836  -6.612
   58    HD1  HIS  70           1HD      HIS  70  -0.672   7.383  -7.194
   59    HD2  HIS  70           2HD      HIS  70   1.743   9.666  -4.709
   60    HE1  HIS  70           1HE      HIS  70   1.269   5.899  -6.598
   61    HE2  HIS  70           2HE      HIS  70   2.671   7.272  -5.016
   62    H    SER  71           HN       SER  71  -3.416  10.511  -6.542
   63    HA   SER  71           HA       SER  71  -5.445   9.437  -4.785
   64   1HB   SER  71          2HB       SER  71  -5.994   9.743  -7.689
   65   2HB   SER  71          3HB       SER  71  -6.971  10.218  -6.301
   66    HG   SER  71           HG       SER  71  -5.529  11.788  -7.779
   67    H    TYR  72           HN       TYR  72  -5.963   7.356  -4.598
   68    HA   TYR  72           HA       TYR  72  -4.825   5.484  -6.561
   69   1HB   TYR  72          2HB       TYR  72  -4.189   5.178  -4.173
   70   2HB   TYR  72          3HB       TYR  72  -5.875   4.852  -3.804
   71    HD1  TYR  72           1HD      TYR  72  -6.037   2.611  -3.246
   72    HD2  TYR  72           2HD      TYR  72  -3.727   3.716  -6.639
   73    HE1  TYR  72           1HE      TYR  72  -5.717   0.237  -3.792
   74    HE2  TYR  72           2HE      TYR  72  -3.401   1.344  -7.197
   75    HH   TYR  72           HH       TYR  72  -5.220  -1.099  -5.957
   76    H    GLU  73           HN       GLU  73  -5.992   3.853  -7.485
   77    HA   GLU  73           HA       GLU  73  -8.876   3.791  -7.065
   78   1HB   GLU  73          2HB       GLU  73  -7.551   4.817  -9.344
   79   2HB   GLU  73          3HB       GLU  73  -8.375   3.344  -9.810
   80   1HG   GLU  73          2HG       GLU  73 -10.470   4.201  -9.121
   81   2HG   GLU  73          3HG       GLU  73  -9.704   5.563  -8.301
   82    HA   PRO  74           HA       PRO  74  -7.288  -0.426  -6.279
   83   1HB   PRO  74          2HB       PRO  74 -10.092  -1.109  -6.197
   84   2HB   PRO  74          3HB       PRO  74  -8.931  -1.039  -4.870
   85   1HG   PRO  74          2HG       PRO  74 -10.895   0.968  -5.741
   86   2HG   PRO  74          3HG       PRO  74 -10.101   0.775  -4.170
   87   1HD   PRO  74          2HD       PRO  74  -9.481   2.802  -5.854
   88   2HD   PRO  74          3HD       PRO  74  -8.263   2.030  -4.812
   89    H    SER  75           HN       SER  75  -6.667  -1.718  -7.850
   90    HA   SER  75           HA       SER  75  -8.477  -2.169 -10.132
   91   1HB   SER  75          2HB       SER  75  -5.564  -2.599 -10.514
   92   2HB   SER  75          3HB       SER  75  -6.766  -1.951 -11.632
   93    HG   SER  75           HG       SER  75  -5.304  -0.644  -9.626
   94    H    HIS  76           HN       HIS  76  -6.048  -3.553  -7.980
   95    HA   HIS  76           HA       HIS  76  -6.388  -6.221  -9.011
   96   1HB   HIS  76          2HB       HIS  76  -4.719  -4.918  -6.926
   97   2HB   HIS  76          3HB       HIS  76  -5.083  -6.625  -6.690
   98    HD1  HIS  76           1HD      HIS  76  -4.462  -5.070 -10.068
   99    HD2  HIS  76           2HD      HIS  76  -2.585  -7.587  -7.345
  100    HE1  HIS  76           1HE      HIS  76  -2.448  -5.977 -11.269
  101    HE2  HIS  76           2HE      HIS  76  -1.280  -7.430  -9.573
  102    H    ASP  77           HN       ASP  77  -6.908  -8.027  -7.429
  103    HA   ASP  77           HA       ASP  77  -9.512  -7.528  -6.335
  104   1HB   ASP  77          2HB       ASP  77  -7.971  -9.816  -7.136
  105   2HB   ASP  77          3HB       ASP  77  -8.603 -10.083  -5.514
  106    H    GLY  78           HN       GLY  78 -10.164  -7.546  -4.201
  107   1HA   GLY  78          1HA       GLY  78  -9.987  -7.228  -1.931
  108   2HA   GLY  78          2HA       GLY  78  -8.563  -8.253  -2.005
  109    H    ASP  79           HN       ASP  79  -9.033  -5.134  -3.609
  110    HA   ASP  79           HA       ASP  79  -6.726  -4.131  -2.095
  111   1HB   ASP  79          2HB       ASP  79  -7.845  -3.313  -4.775
  112   2HB   ASP  79          3HB       ASP  79  -6.557  -2.442  -3.949
  113    H    LEU  80           HN       LEU  80  -6.718  -1.943  -1.392
  114    HA   LEU  80           HA       LEU  80  -9.410  -0.920  -0.787
  115   1HB   LEU  80          2HB       LEU  80  -8.510  -1.368   1.288
  116   2HB   LEU  80          3HB       LEU  80  -6.873  -1.033   0.775
  117    HG   LEU  80           HG       LEU  80  -7.552   1.419   0.711
  118   1HD1  LEU  80          1HD1      LEU  80  -9.800   1.652   0.830
  119   2HD1  LEU  80          2HD1      LEU  80 -10.013   0.182   1.780
  120   3HD1  LEU  80          3HD1      LEU  80  -9.466   1.665   2.563
  121   1HD2  LEU  80          1HD2      LEU  80  -7.512  -0.081   3.322
  122   2HD2  LEU  80          2HD2      LEU  80  -6.118   0.542   2.438
  123   3HD2  LEU  80          3HD2      LEU  80  -7.281   1.659   3.156
  124    H    GLY  81           HN       GLY  81  -9.956   1.029  -1.554
  125   1HA   GLY  81          1HA       GLY  81  -7.921   2.528  -3.022
  126   2HA   GLY  81          2HA       GLY  81  -9.653   2.750  -3.158
  127    H    PHE  82           HN       PHE  82  -7.457   4.679  -2.680
  128    HA   PHE  82           HA       PHE  82  -8.720   6.042  -0.444
  129   1HB   PHE  82          2HB       PHE  82  -6.320   6.644   0.364
  130   2HB   PHE  82          3HB       PHE  82  -7.031   5.109   0.835
  131    HD1  PHE  82           1HD      PHE  82  -6.467   3.077  -0.701
  132    HD2  PHE  82           2HD      PHE  82  -4.226   6.685  -0.581
  133    HE1  PHE  82           1HE      PHE  82  -4.528   1.902  -1.655
  134    HE2  PHE  82           2HE      PHE  82  -2.275   5.512  -1.532
  135    HZ   PHE  82           HZ       PHE  82  -2.430   3.117  -2.066
  136    H    GLU  83           HN       GLU  83  -7.477   8.260  -0.161
  137    HA   GLU  83           HA       GLU  83  -7.247   9.375  -2.876
  138   1HB   GLU  83          2HB       GLU  83  -8.645  10.205  -0.463
  139   2HB   GLU  83          3HB       GLU  83  -7.642  11.486  -1.121
  140   1HG   GLU  83          2HG       GLU  83  -8.914  10.454  -3.337
  141   2HG   GLU  83          3HG       GLU  83 -10.147  10.398  -2.080
  142    H    LYS  84           HN       LYS  84  -5.945  11.522  -2.833
  143    HA   LYS  84           HA       LYS  84  -3.292  10.872  -1.985
  144   1HB   LYS  84          2HB       LYS  84  -3.322  12.075  -3.972
  145   2HB   LYS  84          3HB       LYS  84  -4.573  13.167  -3.411
  146   1HG   LYS  84          2HG       LYS  84  -2.702  13.942  -1.737
  147   2HG   LYS  84          3HG       LYS  84  -1.632  13.239  -2.947
  148   1HD   LYS  84          2HD       LYS  84  -3.791  15.137  -3.763
  149   2HD   LYS  84          3HD       LYS  84  -2.276  15.752  -3.103
  150   1HE   LYS  84          2HE       LYS  84  -1.548  13.823  -4.997
  151   2HE   LYS  84          3HE       LYS  84  -2.852  14.748  -5.740
  152   1HZ   LYS  84          1HZ       LYS  84  -0.177  15.614  -4.945
  153   2HZ   LYS  84          2HZ       LYS  84  -1.433  16.737  -4.795
  154   3HZ   LYS  84          3HZ       LYS  84  -1.095  16.045  -6.300
  155    H    GLY  85           HN       GLY  85  -2.314  11.387  -0.130
  156   1HA   GLY  85          1HA       GLY  85  -1.846  12.597   1.821
  157   2HA   GLY  85          2HA       GLY  85  -3.240  13.628   1.489
  158    H    GLU  86           HN       GLU  86  -4.633  10.838   1.018
  159    HA   GLU  86           HA       GLU  86  -6.053  10.715   3.401
  160   1HB   GLU  86          2HB       GLU  86  -6.280   9.543   0.964
  161   2HB   GLU  86          3HB       GLU  86  -5.689   8.187   1.905
  162   1HG   GLU  86          2HG       GLU  86  -8.311   9.066   1.629
  163   2HG   GLU  86          3HG       GLU  86  -7.704   7.797   2.670
  164    H    GLN  87           HN       GLN  87  -6.105   8.799   4.877
  165    HA   GLN  87           HA       GLN  87  -3.378   7.830   5.397
  166   1HB   GLN  87          2HB       GLN  87  -5.347   8.419   7.586
  167   2HB   GLN  87          3HB       GLN  87  -3.624   8.123   7.724
  168   1HG   GLN  87          2HG       GLN  87  -3.077  10.240   7.265
  169   2HG   GLN  87          3HG       GLN  87  -4.348  10.417   6.060
  170   1HE2  GLN  87          1HE2      GLN  87  -3.618  10.508   9.480
  171   2HE2  GLN  87          2HE2      GLN  87  -4.989  11.451   9.945
  172    H    LEU  88           HN       LEU  88  -3.139   5.829   6.211
  173    HA   LEU  88           HA       LEU  88  -5.459   4.113   6.610
  174   1HB   LEU  88          2HB       LEU  88  -3.341   2.972   4.885
  175   2HB   LEU  88          3HB       LEU  88  -5.052   2.612   4.943
  176    HG   LEU  88           HG       LEU  88  -4.476   5.287   3.907
  177   1HD1  LEU  88          1HD1      LEU  88  -3.208   4.819   2.105
  178   2HD1  LEU  88          2HD1      LEU  88  -2.590   3.541   3.156
  179   3HD1  LEU  88          3HD1      LEU  88  -3.833   3.176   1.958
  180   1HD2  LEU  88          1HD2      LEU  88  -6.654   3.985   3.901
  181   2HD2  LEU  88          2HD2      LEU  88  -6.170   4.726   2.372
  182   3HD2  LEU  88          3HD2      LEU  88  -5.927   2.993   2.628
  183    H    ARG  89           HN       ARG  89  -5.113   2.805   8.255
  184    HA   ARG  89           HA       ARG  89  -2.529   2.754   9.495
  185   1HB   ARG  89          2HB       ARG  89  -4.358   2.905  10.985
  186   2HB   ARG  89          3HB       ARG  89  -5.221   1.597  10.187
  187   1HG   ARG  89          2HG       ARG  89  -3.634   0.002  10.993
  188   2HG   ARG  89          3HG       ARG  89  -2.648   1.285  11.681
  189   1HD   ARG  89          2HD       ARG  89  -4.756   1.909  12.993
  190   2HD   ARG  89          3HD       ARG  89  -5.333   0.307  12.565
  191    HE   ARG  89           HE       ARG  89  -2.708   0.423  13.785
  192   1HH1  ARG  89          2HH1      ARG  89  -6.138  -0.012  14.285
  193   2HH1  ARG  89          1HH1      ARG  89  -5.937  -0.846  15.788
  194   1HH2  ARG  89          2HH2      ARG  89  -2.447  -0.673  15.764
  195   2HH2  ARG  89          1HH2      ARG  89  -3.845  -1.221  16.629
  196    H    ILE  90           HN       ILE  90  -1.086   1.560   8.479
  197    HA   ILE  90           HA       ILE  90  -1.570  -0.627   6.840
  198    HB   ILE  90           HB       ILE  90   1.000  -0.117   8.339
  199   1HG1  ILE  90          2HG1      ILE  90   0.190   1.900   7.168
  200   2HG1  ILE  90          3HG1      ILE  90   1.667   1.279   6.464
  201   1HG2  ILE  90          1HG2      ILE  90   1.975  -1.632   7.012
  202   2HG2  ILE  90          2HG2      ILE  90   0.336  -2.220   6.736
  203   3HG2  ILE  90          3HG2      ILE  90   1.074  -1.101   5.590
  204   1HD1  ILE  90          1HD1      ILE  90   0.664   1.330   4.496
  205   2HD1  ILE  90          2HD1      ILE  90  -0.420   0.059   5.061
  206   3HD1  ILE  90          3HD1      ILE  90  -0.876   1.753   5.242
  207    H    LEU  91           HN       LEU  91  -2.421  -2.451   7.336
  208    HA   LEU  91           HA       LEU  91  -2.285  -3.613   9.971
  209   1HB   LEU  91          2HB       LEU  91  -3.312  -4.892   7.443
  210   2HB   LEU  91          3HB       LEU  91  -3.778  -5.252   9.094
  211    HG   LEU  91           HG       LEU  91  -4.395  -2.707   7.599
  212   1HD1  LEU  91          1HD1      LEU  91  -5.821  -4.245   6.663
  213   2HD1  LEU  91          2HD1      LEU  91  -6.004  -5.154   8.164
  214   3HD1  LEU  91          3HD1      LEU  91  -6.787  -3.581   7.982
  215   1HD2  LEU  91          1HD2      LEU  91  -6.024  -2.946   9.864
  216   2HD2  LEU  91          2HD2      LEU  91  -4.386  -3.310  10.407
  217   3HD2  LEU  91          3HD2      LEU  91  -4.726  -1.784   9.590
  218    H    GLU  92           HN       GLU  92  -1.158  -4.326   6.727
  219    HA   GLU  92           HA       GLU  92   1.155  -5.710   7.803
  220   1HB   GLU  92          2HB       GLU  92  -1.044  -7.095   6.593
  221   2HB   GLU  92          3HB       GLU  92   0.371  -7.234   5.556
  222   1HG   GLU  92          2HG       GLU  92   1.167  -8.813   6.876
  223   2HG   GLU  92          3HG       GLU  92   1.257  -7.634   8.188
  224    H    GLN  93           HN       GLN  93   2.933  -5.758   6.331
  225    HA   GLN  93           HA       GLN  93   2.565  -4.126   3.935
  226   1HB   GLN  93          2HB       GLN  93   4.957  -3.226   4.711
  227   2HB   GLN  93          3HB       GLN  93   3.454  -2.442   5.153
  228   1HG   GLN  93          2HG       GLN  93   3.442  -3.712   7.236
  229   2HG   GLN  93          3HG       GLN  93   4.978  -4.409   6.776
  230   1HE2  GLN  93          1HE2      GLN  93   3.448  -1.844   8.318
  231   2HE2  GLN  93          2HE2      GLN  93   4.827  -0.833   8.562
  232    H    SER  94           HN       SER  94   2.840  -6.932   4.058
  233    HA   SER  94           HA       SER  94   5.579  -7.513   3.319
  234   1HB   SER  94          2HB       SER  94   4.988  -9.496   4.155
  235   2HB   SER  94          3HB       SER  94   3.290  -9.039   4.200
  236    HG   SER  94           HG       SER  94   4.426 -10.789   2.611
  237    H    GLY  95           HN       GLY  95   6.337  -7.646   1.305
  238   1HA   GLY  95          1HA       GLY  95   6.358  -7.770  -1.010
  239   2HA   GLY  95          2HA       GLY  95   4.659  -8.189  -0.954
  240    H    GLU  96           HN       GLU  96   5.643  -6.638  -2.913
  241    HA   GLU  96           HA       GLU  96   5.731  -3.917  -2.688
  242   1HB   GLU  96          2HB       GLU  96   6.122  -4.480  -4.832
  243   2HB   GLU  96          3HB       GLU  96   5.013  -5.846  -4.771
  244   1HG   GLU  96          2HG       GLU  96   3.159  -4.442  -5.073
  245   2HG   GLU  96          3HG       GLU  96   4.153  -2.994  -4.950
  246    H    TRP  97           HN       TRP  97   2.980  -5.940  -2.151
  247    HA   TRP  97           HA       TRP  97   1.232  -3.576  -2.143
  248   1HB   TRP  97          2HB       TRP  97   0.674  -6.506  -2.523
  249   2HB   TRP  97          3HB       TRP  97  -0.604  -5.375  -2.094
  250    HD1  TRP  97           1HD      TRP  97   1.757  -6.268  -4.973
  251    HE1  TRP  97           1HE      TRP  97   0.902  -5.138  -7.122
  252    HE3  TRP  97           3HE      TRP  97  -1.985  -3.430  -2.964
  253    HZ2  TRP  97           2HZ      TRP  97  -1.094  -3.281  -7.864
  254    HZ3  TRP  97           3HZ      TRP  97  -3.315  -2.003  -4.452
  255    HH2  TRP  97           2HH      TRP  97  -2.878  -1.928  -6.853
  256    H    TRP  98           HN       TRP  98   0.725  -2.757  -0.225
  257    HA   TRP  98           HA       TRP  98   1.088  -4.418   2.163
  258   1HB   TRP  98          2HB       TRP  98   1.009  -1.432   1.781
  259   2HB   TRP  98          3HB       TRP  98   1.015  -2.204   3.357
  260    HD1  TRP  98           1HD      TRP  98   3.173  -4.245   1.261
  261    HE1  TRP  98           1HE      TRP  98   5.653  -3.651   1.622
  262    HE3  TRP  98           3HE      TRP  98   2.564   0.169   3.710
  263    HZ2  TRP  98           2HZ      TRP  98   7.153  -1.548   2.795
  264    HZ3  TRP  98           3HZ      TRP  98   4.557   1.430   4.419
  265    HH2  TRP  98           2HH      TRP  98   6.807   0.582   3.973
  266    H    LYS  99           HN       LYS  99  -0.459  -4.645   3.713
  267    HA   LYS  99           HA       LYS  99  -3.199  -4.118   2.885
  268   1HB   LYS  99          2HB       LYS  99  -2.699  -6.344   3.753
  269   2HB   LYS  99          3HB       LYS  99  -2.053  -5.647   5.228
  270   1HG   LYS  99          2HG       LYS  99  -4.442  -6.643   5.222
  271   2HG   LYS  99          3HG       LYS  99  -4.132  -5.124   6.063
  272   1HD   LYS  99          2HD       LYS  99  -5.137  -3.856   4.428
  273   2HD   LYS  99          3HD       LYS  99  -5.026  -5.135   3.215
  274   1HE   LYS  99          2HE       LYS  99  -6.550  -6.070   5.450
  275   2HE   LYS  99          3HE       LYS  99  -7.194  -4.521   4.914
  276   1HZ   LYS  99          1HZ       LYS  99  -8.283  -5.748   3.418
  277   2HZ   LYS  99          2HZ       LYS  99  -7.276  -7.090   3.618
  278   3HZ   LYS  99          3HZ       LYS  99  -6.810  -5.831   2.589
  279    H    ALA 100           HN       ALA 100  -4.069  -2.203   3.441
  280    HA   ALA 100           HA       ALA 100  -3.249  -1.039   6.023
  281   1HB   ALA 100          1HB       ALA 100  -2.659   0.106   3.698
  282   2HB   ALA 100          2HB       ALA 100  -4.288   0.758   3.906
  283   3HB   ALA 100          3HB       ALA 100  -3.058   1.042   5.141
  284    H    GLN 101           HN       GLN 101  -4.775  -0.124   7.323
  285    HA   GLN 101           HA       GLN 101  -7.560  -0.633   6.529
  286   1HB   GLN 101          2HB       GLN 101  -7.032  -1.892   8.504
  287   2HB   GLN 101          3HB       GLN 101  -6.297  -0.501   9.275
  288   1HG   GLN 101          2HG       GLN 101  -8.581   0.553   9.093
  289   2HG   GLN 101          3HG       GLN 101  -9.195  -1.043   8.737
  290   1HE2  GLN 101          1HE2      GLN 101  -7.619   0.960  11.130
  291   2HE2  GLN 101          2HE2      GLN 101  -7.997  -0.027  12.495
  292    H    SER 102           HN       SER 102  -8.452   1.158   5.814
  293    HA   SER 102           HA       SER 102  -7.504   3.718   6.032
  294   1HB   SER 102          2HB       SER 102  -9.914   2.402   5.155
  295   2HB   SER 102          3HB       SER 102 -10.282   3.926   5.920
  296    HG   SER 102           HG       SER 102  -8.771   3.426   3.628
  297    H    LEU 103           HN       LEU 103  -8.602   5.569   7.194
  298    HA   LEU 103           HA       LEU 103  -9.320   4.725   9.923
  299   1HB   LEU 103          2HB       LEU 103  -7.422   6.858   9.035
  300   2HB   LEU 103          3HB       LEU 103  -8.138   6.861  10.633
  301    HG   LEU 103           HG       LEU 103  -7.230   4.298  10.475
  302   1HD1  LEU 103          1HD1      LEU 103  -4.860   4.570   9.639
  303   2HD1  LEU 103          2HD1      LEU 103  -6.136   4.472   8.423
  304   3HD1  LEU 103          3HD1      LEU 103  -5.428   6.034   8.834
  305   1HD2  LEU 103          1HD2      LEU 103  -5.344   6.428  11.384
  306   2HD2  LEU 103          2HD2      LEU 103  -6.877   6.184  12.223
  307   3HD2  LEU 103          3HD2      LEU 103  -5.713   4.860  12.110
  308    H    THR 104           HN       THR 104  -9.980   6.817   7.274
  309    HA   THR 104           HA       THR 104 -11.778   8.514   8.767
  310    HB   THR 104           HB       THR 104 -11.698   8.293   5.773
  311    HG1  THR 104           1HG      THR 104  -9.789   9.595   7.416
  312   1HG2  THR 104          1HG2      THR 104 -12.213  10.471   7.739
  313   2HG2  THR 104          2HG2      THR 104 -13.266   9.851   6.465
  314   3HG2  THR 104          3HG2      THR 104 -11.840  10.803   6.048
  315    H    THR 105           HN       THR 105 -11.845   5.861   6.529
  316    HA   THR 105           HA       THR 105 -14.741   5.471   6.880
  317    HB   THR 105           HB       THR 105 -14.789   4.640   4.761
  318    HG1  THR 105           1HG      THR 105 -12.054   3.959   4.909
  319   1HG2  THR 105          1HG2      THR 105 -12.307   6.305   4.607
  320   2HG2  THR 105          2HG2      THR 105 -13.966   6.883   4.445
  321   3HG2  THR 105          3HG2      THR 105 -13.284   5.803   3.227
  322    H    GLY 106           HN       GLY 106 -11.607   4.079   6.963
  323   1HA   GLY 106          1HA       GLY 106 -10.705   2.432   8.207
  324   2HA   GLY 106          2HA       GLY 106 -12.283   2.048   8.836
  325    H    GLN 107           HN       GLN 107 -12.594   2.141   5.552
  326    HA   GLN 107           HA       GLN 107 -13.076  -0.518   5.194
  327   1HB   GLN 107          2HB       GLN 107 -12.429   1.741   3.418
  328   2HB   GLN 107          3HB       GLN 107 -12.458   0.130   2.727
  329   1HG   GLN 107          2HG       GLN 107 -14.640   0.459   2.491
  330   2HG   GLN 107          3HG       GLN 107 -14.711   0.162   4.226
  331   1HE2  GLN 107          1HE2      GLN 107 -14.005   2.827   1.989
  332   2HE2  GLN 107          2HE2      GLN 107 -14.904   4.020   2.856
  333    H    GLU 108           HN       GLU 108 -11.875  -2.240   5.176
  334    HA   GLU 108           HA       GLU 108  -8.981  -1.971   5.130
  335   1HB   GLU 108          2HB       GLU 108 -10.733  -4.372   5.630
  336   2HB   GLU 108          3HB       GLU 108  -8.987  -4.366   5.746
  337   1HG   GLU 108          2HG       GLU 108  -9.059  -3.588   7.801
  338   2HG   GLU 108          3HG       GLU 108 -10.090  -2.244   7.323
  339    H    GLY 109           HN       GLY 109  -7.597  -2.994   3.712
  340   1HA   GLY 109          1HA       GLY 109  -8.236  -4.784   1.696
  341   2HA   GLY 109          2HA       GLY 109  -8.492  -3.184   1.021
  342    H    PHE 110           HN       PHE 110  -6.691  -4.498  -0.286
  343    HA   PHE 110           HA       PHE 110  -4.049  -4.108   0.834
  344   1HB   PHE 110          2HB       PHE 110  -5.237  -5.605  -1.412
  345   2HB   PHE 110          3HB       PHE 110  -3.637  -4.955  -1.710
  346    HD1  PHE 110           1HD      PHE 110  -5.264  -6.461   1.287
  347    HD2  PHE 110           2HD      PHE 110  -2.059  -6.614  -1.512
  348    HE1  PHE 110           1HE      PHE 110  -4.279  -8.350   2.520
  349    HE2  PHE 110           2HE      PHE 110  -1.071  -8.503  -0.283
  350    HZ   PHE 110           HZ       PHE 110  -2.182  -9.373   1.736
  351    H    ILE 111           HN       ILE 111  -2.540  -2.653   0.074
  352    HA   ILE 111           HA       ILE 111  -3.403  -0.797  -2.035
  353    HB   ILE 111           HB       ILE 111  -2.578   1.119  -0.744
  354   1HG1  ILE 111          2HG1      ILE 111  -2.515  -0.551   1.740
  355   2HG1  ILE 111          3HG1      ILE 111  -1.117  -0.538   0.677
  356   1HG2  ILE 111          1HG2      ILE 111  -4.982   0.238  -0.659
  357   2HG2  ILE 111          2HG2      ILE 111  -4.586  -0.284   0.980
  358   3HG2  ILE 111          3HG2      ILE 111  -4.483   1.425   0.546
  359   1HD1  ILE 111          1HD1      ILE 111  -0.498   1.161   1.995
  360   2HD1  ILE 111          2HD1      ILE 111  -1.520   2.092   0.898
  361   3HD1  ILE 111          3HD1      ILE 111  -2.156   1.557   2.453
  362    HA   PRO 112           HA       PRO 112   0.607  -1.238  -3.756
  363   1HB   PRO 112          2HB       PRO 112   0.898   1.403  -4.601
  364   2HB   PRO 112          3HB       PRO 112   0.117   0.112  -5.517
  365   1HG   PRO 112          2HG       PRO 112  -1.105   2.248  -3.850
  366   2HG   PRO 112          3HG       PRO 112  -1.696   1.508  -5.337
  367   1HD   PRO 112          2HD       PRO 112  -2.707   0.897  -2.929
  368   2HD   PRO 112          3HD       PRO 112  -2.594  -0.288  -4.235
  369    H    PHE 113           HN       PHE 113   2.318  -1.428  -2.409
  370    HA   PHE 113           HA       PHE 113   2.779   0.116  -0.150
  371   1HB   PHE 113          2HB       PHE 113   4.714  -1.110   0.163
  372   2HB   PHE 113          3HB       PHE 113   3.777  -2.177  -0.877
  373    HD1  PHE 113           1HD      PHE 113   6.910  -1.677  -0.306
  374    HD2  PHE 113           2HD      PHE 113   4.230  -0.876  -3.512
  375    HE1  PHE 113           1HE      PHE 113   8.791  -1.743  -1.890
  376    HE2  PHE 113           2HE      PHE 113   6.106  -0.942  -5.102
  377    HZ   PHE 113           HZ       PHE 113   8.391  -1.376  -4.291
  378    H    ASN 114           HN       ASN 114   3.451   0.903  -3.427
  379    HA   ASN 114           HA       ASN 114   5.334   3.005  -2.636
  380   1HB   ASN 114          2HB       ASN 114   5.583   3.279  -5.149
  381   2HB   ASN 114          3HB       ASN 114   6.160   1.757  -4.480
  382   1HD2  ASN 114          1HD2      ASN 114   3.664   3.309  -6.346
  383   2HD2  ASN 114          2HD2      ASN 114   3.017   1.868  -7.048
  384    H    PHE 115           HN       PHE 115   2.518   3.158  -1.992
  385    HA   PHE 115           HA       PHE 115   1.735   5.501  -3.611
  386   1HB   PHE 115          2HB       PHE 115   0.354   3.120  -3.242
  387   2HB   PHE 115          3HB       PHE 115  -0.421   4.226  -2.122
  388    HD1  PHE 115           1HD      PHE 115  -1.335   6.406  -3.026
  389    HD2  PHE 115           2HD      PHE 115  -0.110   3.187  -5.524
  390    HE1  PHE 115           1HE      PHE 115  -2.699   7.308  -4.856
  391    HE2  PHE 115           2HE      PHE 115  -1.471   4.086  -7.357
  392    HZ   PHE 115           HZ       PHE 115  -2.767   6.153  -7.029
  393    H    VAL 116           HN       VAL 116   2.075   4.130  -0.410
  394    HA   VAL 116           HA       VAL 116   1.134   6.653   0.763
  395    HB   VAL 116           HB       VAL 116   0.920   5.362   2.877
  396   1HG1  VAL 116          1HG1      VAL 116  -1.204   4.806   2.370
  397   2HG1  VAL 116          2HG1      VAL 116  -0.818   5.642   0.867
  398   3HG1  VAL 116          3HG1      VAL 116  -0.739   3.882   0.942
  399   1HG2  VAL 116          1HG2      VAL 116   1.920   3.375   3.038
  400   2HG2  VAL 116          2HG2      VAL 116   0.724   2.740   1.909
  401   3HG2  VAL 116          3HG2      VAL 116   2.264   3.354   1.309
  402    H    ALA 117           HN       ALA 117   2.190   7.608   2.477
  403    HA   ALA 117           HA       ALA 117   4.916   6.757   3.102
  404   1HB   ALA 117          1HB       ALA 117   5.725   8.336   1.717
  405   2HB   ALA 117          2HB       ALA 117   4.171   9.161   1.595
  406   3HB   ALA 117          3HB       ALA 117   5.227   9.470   2.973
  407    H    LYS 118           HN       LYS 118   5.508   7.239   5.210
  408    HA   LYS 118           HA       LYS 118   3.728   7.345   7.218
  409   1HB   LYS 118          2HB       LYS 118   6.422   8.713   7.192
  410   2HB   LYS 118          3HB       LYS 118   5.494   8.362   8.644
  411   1HG   LYS 118          2HG       LYS 118   6.750   6.410   6.739
  412   2HG   LYS 118          3HG       LYS 118   7.124   6.665   8.444
  413   1HD   LYS 118          2HD       LYS 118   4.878   5.868   9.038
  414   2HD   LYS 118          3HD       LYS 118   4.541   5.579   7.332
  415   1HE   LYS 118          2HE       LYS 118   5.173   3.509   8.452
  416   2HE   LYS 118          3HE       LYS 118   6.375   3.962   7.243
  417   1HZ   LYS 118          1HZ       LYS 118   7.764   4.851   9.004
  418   2HZ   LYS 118          2HZ       LYS 118   7.410   3.224   9.298
  419   3HZ   LYS 118          3HZ       LYS 118   6.608   4.433  10.166
  420    H    ALA 119           HN       ALA 119   2.530   8.779   8.361
  421    HA   ALA 119           HA       ALA 119   1.801  11.233   7.108
  422   1HB   ALA 119          1HB       ALA 119   0.619  11.526   9.465
  423   2HB   ALA 119          2HB       ALA 119  -0.006  10.415   8.249
  424   3HB   ALA 119          3HB       ALA 119   0.973   9.804   9.587
  425    H    ASN 120           HN       ASN 120   4.394  11.616   7.338
  426    HA   ASN 120           HA       ASN 120   4.619  13.636   9.457
  427   1HB   ASN 120          2HB       ASN 120   7.046  12.991   9.691
  428   2HB   ASN 120          3HB       ASN 120   5.899  11.802  10.303
  429   1HD2  ASN 120          1HD2      ASN 120   7.172  10.032  10.085
  430   2HD2  ASN 120          2HD2      ASN 120   7.703   9.411   8.563
  Start of MODEL   14
    1    H    ASN  64           HN       ASN  64   1.157   2.870  12.878
    2    HA   ASN  64           HA       ASN  64   3.399   2.240  11.274
    3   1HB   ASN  64          2HB       ASN  64   1.386   0.070  11.738
    4   2HB   ASN  64          3HB       ASN  64   2.073   0.255  10.131
    5   1HD2  ASN  64          1HD2      ASN  64   2.399  -2.007  11.747
    6   2HD2  ASN  64          2HD2      ASN  64   4.076  -2.155  12.133
    7    H    LEU  65           HN       LEU  65   1.242   4.209  11.647
    8    HA   LEU  65           HA       LEU  65  -0.437   3.895   9.336
    9   1HB   LEU  65          2HB       LEU  65  -1.492   4.924  11.138
   10   2HB   LEU  65          3HB       LEU  65  -0.187   6.051  11.401
   11    HG   LEU  65           HG       LEU  65  -0.765   7.159   9.306
   12   1HD1  LEU  65          1HD1      LEU  65  -1.919   6.072   7.768
   13   2HD1  LEU  65          2HD1      LEU  65  -2.288   4.786   8.921
   14   3HD1  LEU  65          3HD1      LEU  65  -3.344   6.194   8.801
   15   1HD2  LEU  65          1HD2      LEU  65  -1.741   7.990  11.372
   16   2HD2  LEU  65          2HD2      LEU  65  -2.887   8.157  10.042
   17   3HD2  LEU  65          3HD2      LEU  65  -3.076   6.850  11.211
   18    H    VAL  66           HN       VAL  66  -0.419   4.959   7.530
   19    HA   VAL  66           HA       VAL  66   1.883   6.689   6.916
   20    HB   VAL  66           HB       VAL  66   1.607   5.739   4.576
   21   1HG1  VAL  66          1HG1      VAL  66   2.932   3.636   5.262
   22   2HG1  VAL  66          2HG1      VAL  66   3.595   5.220   5.670
   23   3HG1  VAL  66          3HG1      VAL  66   2.767   4.266   6.902
   24   1HG2  VAL  66          1HG2      VAL  66   0.141   3.637   6.146
   25   2HG2  VAL  66          2HG2      VAL  66  -0.482   4.598   4.804
   26   3HG2  VAL  66          3HG2      VAL  66   0.775   3.393   4.518
   27    H    ILE  67           HN       ILE  67   1.407   7.633   4.567
   28    HA   ILE  67           HA       ILE  67  -1.349   8.492   4.334
   29    HB   ILE  67           HB       ILE  67   0.712  10.197   5.419
   30   1HG1  ILE  67          2HG1      ILE  67  -2.232  10.404   4.873
   31   2HG1  ILE  67          3HG1      ILE  67  -1.450   9.999   6.372
   32   1HG2  ILE  67          1HG2      ILE  67  -0.610  11.164   2.883
   33   2HG2  ILE  67          2HG2      ILE  67   0.209  12.204   4.046
   34   3HG2  ILE  67          3HG2      ILE  67   1.121  10.974   3.169
   35   1HD1  ILE  67          1HD1      ILE  67  -2.318  12.515   5.468
   36   2HD1  ILE  67          2HD1      ILE  67  -1.505  12.121   6.983
   37   3HD1  ILE  67          3HD1      ILE  67  -0.557  12.568   5.564
   38    H    ALA  68           HN       ALA  68  -1.976   8.404   2.332
   39    HA   ALA  68           HA       ALA  68  -0.317   7.605   0.232
   40   1HB   ALA  68          1HB       ALA  68  -2.654   8.908  -0.795
   41   2HB   ALA  68          2HB       ALA  68  -2.262   7.189  -0.741
   42   3HB   ALA  68          3HB       ALA  68  -3.068   7.953   0.629
   43    H    LEU  69           HN       LEU  69   0.349   8.640  -1.660
   44    HA   LEU  69           HA       LEU  69   0.639  11.566  -1.439
   45   1HB   LEU  69          2HB       LEU  69   2.549   9.495  -2.507
   46   2HB   LEU  69          3HB       LEU  69   2.754  11.216  -2.778
   47    HG   LEU  69           HG       LEU  69   2.730   9.866  -0.073
   48   1HD1  LEU  69          1HD1      LEU  69   5.158  10.822  -0.163
   49   2HD1  LEU  69          2HD1      LEU  69   4.795   9.275  -0.925
   50   3HD1  LEU  69          3HD1      LEU  69   4.928  10.736  -1.908
   51   1HD2  LEU  69          1HD2      LEU  69   3.182  12.735  -0.884
   52   2HD2  LEU  69          2HD2      LEU  69   1.850  12.101   0.082
   53   3HD2  LEU  69          3HD2      LEU  69   3.492  12.085   0.726
   54    H    HIS  70           HN       HIS  70  -1.209   9.512  -2.942
   55    HA   HIS  70           HA       HIS  70  -1.624  11.133  -5.237
   56   1HB   HIS  70          2HB       HIS  70  -1.217   8.688  -6.552
   57   2HB   HIS  70          3HB       HIS  70  -0.245  10.145  -6.705
   58    HD1  HIS  70           1HD      HIS  70   1.966   8.925  -7.015
   59    HD2  HIS  70           2HD      HIS  70   0.012   7.882  -3.504
   60    HE1  HIS  70           1HE      HIS  70   3.646   7.629  -5.675
   61    HE2  HIS  70           2HE      HIS  70   2.498   7.178  -3.482
   62    H    SER  71           HN       SER  71  -3.629  10.777  -6.140
   63    HA   SER  71           HA       SER  71  -5.558   9.434  -4.626
   64   1HB   SER  71          2HB       SER  71  -6.112   9.793  -7.520
   65   2HB   SER  71          3HB       SER  71  -7.076  10.261  -6.121
   66    HG   SER  71           HG       SER  71  -6.224  12.084  -7.191
   67    H    TYR  72           HN       TYR  72  -6.063   7.353  -4.460
   68    HA   TYR  72           HA       TYR  72  -4.965   5.510  -6.471
   69   1HB   TYR  72          2HB       TYR  72  -4.338   5.186  -4.061
   70   2HB   TYR  72          3HB       TYR  72  -6.016   4.792  -3.739
   71    HD1  TYR  72           1HD      TYR  72  -3.716   3.813  -6.522
   72    HD2  TYR  72           2HD      TYR  72  -6.174   2.534  -3.295
   73    HE1  TYR  72           1HE      TYR  72  -3.313   1.472  -7.147
   74    HE2  TYR  72           2HE      TYR  72  -5.765   0.191  -3.906
   75    HH   TYR  72           HH       TYR  72  -4.636  -0.778  -6.798
   76    H    GLU  73           HN       GLU  73  -6.140   3.884  -7.392
   77    HA   GLU  73           HA       GLU  73  -9.021   3.824  -6.966
   78   1HB   GLU  73          2HB       GLU  73  -7.701   4.888  -9.233
   79   2HB   GLU  73          3HB       GLU  73  -8.537   3.429  -9.720
   80   1HG   GLU  73          2HG       GLU  73 -10.623   4.288  -8.991
   81   2HG   GLU  73          3HG       GLU  73  -9.838   5.638  -8.173
   82    HA   PRO  74           HA       PRO  74  -7.438  -0.409  -6.255
   83   1HB   PRO  74          2HB       PRO  74 -10.249  -1.085  -6.225
   84   2HB   PRO  74          3HB       PRO  74  -9.102  -1.059  -4.885
   85   1HG   PRO  74          2HG       PRO  74 -11.047   0.983  -5.715
   86   2HG   PRO  74          3HG       PRO  74 -10.261   0.747  -4.146
   87   1HD   PRO  74          2HD       PRO  74  -9.622   2.813  -5.773
   88   2HD   PRO  74          3HD       PRO  74  -8.412   2.006  -4.748
   89    H    SER  75           HN       SER  75  -6.852  -1.762  -7.788
   90    HA   SER  75           HA       SER  75  -8.614  -2.146 -10.115
   91   1HB   SER  75          2HB       SER  75  -5.651  -1.689  -9.999
   92   2HB   SER  75          3HB       SER  75  -6.337  -2.645 -11.312
   93    HG   SER  75           HG       SER  75  -7.153  -0.017 -10.611
   94    H    HIS  76           HN       HIS  76  -6.144  -3.554  -8.011
   95    HA   HIS  76           HA       HIS  76  -6.499  -6.203  -9.084
   96   1HB   HIS  76          2HB       HIS  76  -4.786  -4.934  -7.016
   97   2HB   HIS  76          3HB       HIS  76  -5.150  -6.642  -6.791
   98    HD1  HIS  76           1HD      HIS  76  -4.107  -8.306  -8.446
   99    HD2  HIS  76           2HD      HIS  76  -3.158  -4.338  -9.235
  100    HE1  HIS  76           1HE      HIS  76  -2.246  -8.383 -10.135
  101    HE2  HIS  76           2HE      HIS  76  -1.629  -5.972 -10.531
  102    H    ASP  77           HN       ASP  77  -6.905  -8.027  -7.432
  103    HA   ASP  77           HA       ASP  77  -9.524  -7.593  -6.334
  104   1HB   ASP  77          2HB       ASP  77  -9.421  -9.993  -5.748
  105   2HB   ASP  77          3HB       ASP  77  -8.999  -9.705  -7.434
  106    H    GLY  78           HN       GLY  78 -10.155  -7.595  -4.197
  107   1HA   GLY  78          1HA       GLY  78  -9.970  -7.237  -1.934
  108   2HA   GLY  78          2HA       GLY  78  -8.536  -8.248  -2.002
  109    H    ASP  79           HN       ASP  79  -9.092  -5.135  -3.600
  110    HA   ASP  79           HA       ASP  79  -6.758  -4.097  -2.151
  111   1HB   ASP  79          2HB       ASP  79  -7.968  -3.280  -4.792
  112   2HB   ASP  79          3HB       ASP  79  -6.659  -2.407  -4.001
  113    H    LEU  80           HN       LEU  80  -6.765  -1.915  -1.438
  114    HA   LEU  80           HA       LEU  80  -9.453  -0.934  -0.750
  115   1HB   LEU  80          2HB       LEU  80  -8.478  -1.365   1.295
  116   2HB   LEU  80          3HB       LEU  80  -6.863  -1.007   0.725
  117    HG   LEU  80           HG       LEU  80  -7.527   1.426   0.703
  118   1HD1  LEU  80          1HD1      LEU  80 -10.019   0.213   1.735
  119   2HD1  LEU  80          2HD1      LEU  80  -9.471   1.699   2.515
  120   3HD1  LEU  80          3HD1      LEU  80  -9.777   1.674   0.778
  121   1HD2  LEU  80          1HD2      LEU  80  -7.600  -0.020   3.346
  122   2HD2  LEU  80          2HD2      LEU  80  -6.148   0.457   2.466
  123   3HD2  LEU  80          3HD2      LEU  80  -7.233   1.688   3.114
  124    H    GLY  81           HN       GLY  81 -10.043   1.046  -1.433
  125   1HA   GLY  81          1HA       GLY  81  -8.079   2.554  -2.993
  126   2HA   GLY  81          2HA       GLY  81  -9.816   2.759  -3.070
  127    H    PHE  82           HN       PHE  82  -7.518   4.626  -2.609
  128    HA   PHE  82           HA       PHE  82  -8.741   6.055  -0.387
  129   1HB   PHE  82          2HB       PHE  82  -6.300   6.628   0.351
  130   2HB   PHE  82          3HB       PHE  82  -7.051   5.133   0.889
  131    HD1  PHE  82           1HD      PHE  82  -6.625   3.067  -0.718
  132    HD2  PHE  82           2HD      PHE  82  -4.170   6.534  -0.502
  133    HE1  PHE  82           1HE      PHE  82  -4.747   1.794  -1.664
  134    HE2  PHE  82           2HE      PHE  82  -2.279   5.256  -1.445
  135    HZ   PHE  82           HZ       PHE  82  -2.573   2.885  -2.023
  136    H    GLU  83           HN       GLU  83  -7.522   8.264  -0.165
  137    HA   GLU  83           HA       GLU  83  -7.288   9.329  -2.898
  138   1HB   GLU  83          2HB       GLU  83  -8.640  10.221  -0.482
  139   2HB   GLU  83          3HB       GLU  83  -7.612  11.471  -1.160
  140   1HG   GLU  83          2HG       GLU  83  -8.929  10.448  -3.356
  141   2HG   GLU  83          3HG       GLU  83 -10.152  10.442  -2.087
  142    H    LYS  84           HN       LYS  84  -5.945  11.470  -2.879
  143    HA   LYS  84           HA       LYS  84  -3.296  10.756  -2.063
  144   1HB   LYS  84          2HB       LYS  84  -3.414  11.942  -4.088
  145   2HB   LYS  84          3HB       LYS  84  -4.501  13.147  -3.421
  146   1HG   LYS  84          2HG       LYS  84  -2.543  13.811  -1.915
  147   2HG   LYS  84          3HG       LYS  84  -1.548  12.843  -3.000
  148   1HD   LYS  84          2HD       LYS  84  -1.882  14.260  -4.786
  149   2HD   LYS  84          3HD       LYS  84  -3.381  14.914  -4.125
  150   1HE   LYS  84          2HE       LYS  84  -0.620  15.418  -3.021
  151   2HE   LYS  84          3HE       LYS  84  -1.520  16.532  -4.049
  152   1HZ   LYS  84          1HZ       LYS  84  -3.293  16.460  -2.287
  153   2HZ   LYS  84          2HZ       LYS  84  -1.859  17.241  -1.848
  154   3HZ   LYS  84          3HZ       LYS  84  -2.173  15.675  -1.290
  155    H    GLY  85           HN       GLY  85  -2.259  11.292  -0.246
  156   1HA   GLY  85          1HA       GLY  85  -1.745  12.485   1.704
  157   2HA   GLY  85          2HA       GLY  85  -3.111  13.552   1.375
  158    H    GLU  86           HN       GLU  86  -4.555  10.764   0.950
  159    HA   GLU  86           HA       GLU  86  -5.976  10.716   3.339
  160   1HB   GLU  86          2HB       GLU  86  -6.222   9.497   0.926
  161   2HB   GLU  86          3HB       GLU  86  -5.657   8.152   1.898
  162   1HG   GLU  86          2HG       GLU  86  -8.262   9.075   1.599
  163   2HG   GLU  86          3HG       GLU  86  -7.681   7.818   2.670
  164    H    GLN  87           HN       GLN  87  -6.047   8.826   4.855
  165    HA   GLN  87           HA       GLN  87  -3.322   7.861   5.396
  166   1HB   GLN  87          2HB       GLN  87  -5.312   8.416   7.573
  167   2HB   GLN  87          3HB       GLN  87  -3.581   8.170   7.712
  168   1HG   GLN  87          2HG       GLN  87  -3.098  10.304   7.265
  169   2HG   GLN  87          3HG       GLN  87  -4.353  10.435   6.037
  170   1HE2  GLN  87          1HE2      GLN  87  -3.602  10.730   9.415
  171   2HE2  GLN  87          2HE2      GLN  87  -5.039  11.573   9.872
  172    H    LEU  88           HN       LEU  88  -3.074   5.856   6.195
  173    HA   LEU  88           HA       LEU  88  -5.389   4.121   6.562
  174   1HB   LEU  88          2HB       LEU  88  -3.250   3.009   4.842
  175   2HB   LEU  88          3HB       LEU  88  -4.961   2.642   4.879
  176    HG   LEU  88           HG       LEU  88  -4.380   5.333   3.884
  177   1HD1  LEU  88          1HD1      LEU  88  -3.099   4.889   2.085
  178   2HD1  LEU  88          2HD1      LEU  88  -2.488   3.595   3.122
  179   3HD1  LEU  88          3HD1      LEU  88  -3.724   3.249   1.909
  180   1HD2  LEU  88          1HD2      LEU  88  -5.853   3.020   2.646
  181   2HD2  LEU  88          2HD2      LEU  88  -6.568   4.117   3.835
  182   3HD2  LEU  88          3HD2      LEU  88  -6.029   4.739   2.273
  183    H    ARG  89           HN       ARG  89  -5.058   2.795   8.190
  184    HA   ARG  89           HA       ARG  89  -2.485   2.717   9.455
  185   1HB   ARG  89          2HB       ARG  89  -4.328   2.860  10.930
  186   2HB   ARG  89          3HB       ARG  89  -5.191   1.567  10.107
  187   1HG   ARG  89          2HG       ARG  89  -3.620  -0.047  10.907
  188   2HG   ARG  89          3HG       ARG  89  -2.635   1.221  11.620
  189   1HD   ARG  89          2HD       ARG  89  -4.763   1.840  12.913
  190   2HD   ARG  89          3HD       ARG  89  -5.328   0.239  12.472
  191    HE   ARG  89           HE       ARG  89  -2.715   0.331  13.705
  192   1HH1  ARG  89          2HH1      ARG  89  -6.151  -0.019  14.216
  193   2HH1  ARG  89          1HH1      ARG  89  -5.968  -0.829  15.736
  194   1HH2  ARG  89          2HH2      ARG  89  -2.475  -0.732  15.705
  195   2HH2  ARG  89          1HH2      ARG  89  -3.883  -1.233  16.581
  196    H    ILE  90           HN       ILE  90  -1.041   1.530   8.426
  197    HA   ILE  90           HA       ILE  90  -1.545  -0.647   6.766
  198    HB   ILE  90           HB       ILE  90   1.045  -0.134   8.229
  199   1HG1  ILE  90          2HG1      ILE  90   0.175   1.874   7.053
  200   2HG1  ILE  90          3HG1      ILE  90   1.683   1.290   6.383
  201   1HG2  ILE  90          1HG2      ILE  90   0.288  -2.183   6.498
  202   2HG2  ILE  90          2HG2      ILE  90   1.242  -1.072   5.514
  203   3HG2  ILE  90          3HG2      ILE  90   1.927  -1.755   6.990
  204   1HD1  ILE  90          1HD1      ILE  90   0.758   1.149   4.383
  205   2HD1  ILE  90          2HD1      ILE  90  -0.486   0.065   5.003
  206   3HD1  ILE  90          3HD1      ILE  90  -0.735   1.810   5.049
  207    H    LEU  91           HN       LEU  91  -2.387  -2.469   7.267
  208    HA   LEU  91           HA       LEU  91  -2.205  -3.646   9.891
  209   1HB   LEU  91          2HB       LEU  91  -3.279  -4.889   7.365
  210   2HB   LEU  91          3HB       LEU  91  -3.698  -5.295   9.019
  211    HG   LEU  91           HG       LEU  91  -4.377  -2.725   7.590
  212   1HD1  LEU  91          1HD1      LEU  91  -6.751  -3.713   8.199
  213   2HD1  LEU  91          2HD1      LEU  91  -5.918  -4.099   6.693
  214   3HD1  LEU  91          3HD1      LEU  91  -5.868  -5.234   8.043
  215   1HD2  LEU  91          1HD2      LEU  91  -5.938  -2.772   9.804
  216   2HD2  LEU  91          2HD2      LEU  91  -4.457  -3.507  10.417
  217   3HD2  LEU  91          3HD2      LEU  91  -4.408  -1.906   9.680
  218    H    GLU  92           HN       GLU  92  -1.138  -4.357   6.618
  219    HA   GLU  92           HA       GLU  92   1.149  -5.804   7.685
  220   1HB   GLU  92          2HB       GLU  92  -1.062  -7.105   6.458
  221   2HB   GLU  92          3HB       GLU  92   0.308  -7.199   5.357
  222   1HG   GLU  92          2HG       GLU  92   1.127  -8.859   6.554
  223   2HG   GLU  92          3HG       GLU  92   1.314  -7.738   7.907
  224    H    GLN  93           HN       GLN  93   2.983  -5.557   6.501
  225    HA   GLN  93           HA       GLN  93   2.737  -3.997   4.034
  226   1HB   GLN  93          2HB       GLN  93   5.082  -3.105   4.909
  227   2HB   GLN  93          3HB       GLN  93   3.565  -2.344   5.350
  228   1HG   GLN  93          2HG       GLN  93   3.522  -3.729   7.377
  229   2HG   GLN  93          3HG       GLN  93   5.095  -4.339   6.927
  230   1HE2  GLN  93          1HE2      GLN  93   3.754  -1.072   6.811
  231   2HE2  GLN  93          2HE2      GLN  93   4.959  -0.350   7.816
  232    H    SER  94           HN       SER  94   2.967  -6.805   4.233
  233    HA   SER  94           HA       SER  94   5.723  -7.368   3.445
  234   1HB   SER  94          2HB       SER  94   4.177  -9.707   3.218
  235   2HB   SER  94          3HB       SER  94   5.310  -9.302   4.504
  236    HG   SER  94           HG       SER  94   3.014  -9.791   5.075
  237    H    GLY  95           HN       GLY  95   6.284  -7.365   1.377
  238   1HA   GLY  95          1HA       GLY  95   6.085  -7.941  -0.902
  239   2HA   GLY  95          2HA       GLY  95   4.374  -8.225  -0.652
  240    H    GLU  96           HN       GLU  96   5.423  -6.879  -2.813
  241    HA   GLU  96           HA       GLU  96   5.599  -4.142  -2.751
  242   1HB   GLU  96          2HB       GLU  96   6.003  -4.879  -4.848
  243   2HB   GLU  96          3HB       GLU  96   4.816  -6.170  -4.725
  244   1HG   GLU  96          2HG       GLU  96   3.051  -4.686  -5.144
  245   2HG   GLU  96          3HG       GLU  96   4.121  -3.290  -5.085
  246    H    TRP  97           HN       TRP  97   2.819  -6.064  -2.073
  247    HA   TRP  97           HA       TRP  97   1.123  -3.664  -2.195
  248   1HB   TRP  97          2HB       TRP  97   0.501  -6.584  -2.536
  249   2HB   TRP  97          3HB       TRP  97  -0.759  -5.428  -2.119
  250    HD1  TRP  97           1HD      TRP  97   1.594  -6.384  -4.984
  251    HE1  TRP  97           1HE      TRP  97   0.768  -5.252  -7.144
  252    HE3  TRP  97           3HE      TRP  97  -2.106  -3.468  -3.008
  253    HZ2  TRP  97           2HZ      TRP  97  -1.192  -3.367  -7.905
  254    HZ3  TRP  97           3HZ      TRP  97  -3.407  -2.028  -4.511
  255    HH2  TRP  97           2HH      TRP  97  -2.956  -1.975  -6.910
  256    H    TRP  98           HN       TRP  98   0.889  -2.753  -0.262
  257    HA   TRP  98           HA       TRP  98   1.106  -4.382   2.146
  258   1HB   TRP  98          2HB       TRP  98   1.121  -1.407   1.684
  259   2HB   TRP  98          3HB       TRP  98   1.044  -2.116   3.290
  260    HD1  TRP  98           1HD      TRP  98   3.191  -4.278   1.270
  261    HE1  TRP  98           1HE      TRP  98   5.677  -3.787   1.727
  262    HE3  TRP  98           3HE      TRP  98   2.678   0.154   3.715
  263    HZ2  TRP  98           2HZ      TRP  98   7.219  -1.751   2.956
  264    HZ3  TRP  98           3HZ      TRP  98   4.694   1.330   4.496
  265    HH2  TRP  98           2HH      TRP  98   6.921   0.390   4.128
  266    H    LYS  99           HN       LYS  99  -0.478  -4.742   3.568
  267    HA   LYS  99           HA       LYS  99  -3.195  -4.122   2.791
  268   1HB   LYS  99          2HB       LYS  99  -2.740  -6.349   3.655
  269   2HB   LYS  99          3HB       LYS  99  -2.040  -5.673   5.115
  270   1HG   LYS  99          2HG       LYS  99  -4.444  -6.620   5.177
  271   2HG   LYS  99          3HG       LYS  99  -4.089  -5.100   6.002
  272   1HD   LYS  99          2HD       LYS  99  -5.101  -3.824   4.367
  273   2HD   LYS  99          3HD       LYS  99  -5.066  -5.130   3.178
  274   1HE   LYS  99          2HE       LYS  99  -6.540  -5.964   5.490
  275   2HE   LYS  99          3HE       LYS  99  -7.161  -4.418   4.923
  276   1HZ   LYS  99          1HZ       LYS  99  -8.308  -5.620   3.462
  277   2HZ   LYS  99          2HZ       LYS  99  -7.398  -7.018   3.746
  278   3HZ   LYS  99          3HZ       LYS  99  -6.848  -5.862   2.641
  279    H    ALA 100           HN       ALA 100  -4.015  -2.178   3.326
  280    HA   ALA 100           HA       ALA 100  -3.204  -1.035   5.920
  281   1HB   ALA 100          1HB       ALA 100  -3.041   1.066   5.052
  282   2HB   ALA 100          2HB       ALA 100  -2.560   0.121   3.638
  283   3HB   ALA 100          3HB       ALA 100  -4.207   0.749   3.763
  284    H    GLN 101           HN       GLN 101  -4.727  -0.135   7.226
  285    HA   GLN 101           HA       GLN 101  -7.512  -0.606   6.407
  286   1HB   GLN 101          2HB       GLN 101  -7.002  -1.910   8.356
  287   2HB   GLN 101          3HB       GLN 101  -6.264  -0.542   9.163
  288   1HG   GLN 101          2HG       GLN 101  -8.540   0.529   8.990
  289   2HG   GLN 101          3HG       GLN 101  -9.161  -1.054   8.590
  290   1HE2  GLN 101          1HE2      GLN 101  -7.561   0.864  11.041
  291   2HE2  GLN 101          2HE2      GLN 101  -7.968  -0.148  12.380
  292    H    SER 102           HN       SER 102  -8.378   1.205   5.721
  293    HA   SER 102           HA       SER 102  -7.410   3.751   5.995
  294   1HB   SER 102          2HB       SER 102  -9.824   2.475   5.075
  295   2HB   SER 102          3HB       SER 102 -10.186   3.985   5.870
  296    HG   SER 102           HG       SER 102  -9.640   4.831   4.027
  297    H    LEU 103           HN       LEU 103  -8.532   5.586   7.168
  298    HA   LEU 103           HA       LEU 103  -9.259   4.706   9.883
  299   1HB   LEU 103          2HB       LEU 103  -7.365   6.857   9.029
  300   2HB   LEU 103          3HB       LEU 103  -8.082   6.832  10.627
  301    HG   LEU 103           HG       LEU 103  -7.162   4.272  10.420
  302   1HD1  LEU 103          1HD1      LEU 103  -4.784   4.588   9.606
  303   2HD1  LEU 103          2HD1      LEU 103  -6.054   4.486   8.384
  304   3HD1  LEU 103          3HD1      LEU 103  -5.371   6.053   8.817
  305   1HD2  LEU 103          1HD2      LEU 103  -6.828   6.137  12.203
  306   2HD2  LEU 103          2HD2      LEU 103  -5.674   4.804  12.083
  307   3HD2  LEU 103          3HD2      LEU 103  -5.283   6.379  11.385
  308    H    THR 104           HN       THR 104  -9.906   6.827   7.256
  309    HA   THR 104           HA       THR 104 -11.723   8.503   8.753
  310    HB   THR 104           HB       THR 104 -11.620   8.316   5.759
  311    HG1  THR 104           1HG      THR 104  -9.854   9.776   5.832
  312   1HG2  THR 104          1HG2      THR 104 -13.184   9.873   6.450
  313   2HG2  THR 104          2HG2      THR 104 -11.748  10.826   6.067
  314   3HG2  THR 104          3HG2      THR 104 -12.149  10.469   7.748
  315    H    THR 105           HN       THR 105 -11.762   5.900   6.454
  316    HA   THR 105           HA       THR 105 -14.657   5.489   6.768
  317    HB   THR 105           HB       THR 105 -14.670   4.681   4.640
  318    HG1  THR 105           1HG      THR 105 -11.937   4.001   4.802
  319   1HG2  THR 105          1HG2      THR 105 -13.837   6.923   4.351
  320   2HG2  THR 105          2HG2      THR 105 -13.131   5.851   3.142
  321   3HG2  THR 105          3HG2      THR 105 -12.181   6.344   4.546
  322    H    GLY 106           HN       GLY 106 -11.522   4.110   6.902
  323   1HA   GLY 106          1HA       GLY 106 -10.629   2.450   8.128
  324   2HA   GLY 106          2HA       GLY 106 -12.209   2.071   8.754
  325    H    GLN 107           HN       GLN 107 -12.517   2.166   5.470
  326    HA   GLN 107           HA       GLN 107 -13.013  -0.484   5.105
  327   1HB   GLN 107          2HB       GLN 107 -12.339   1.773   3.342
  328   2HB   GLN 107          3HB       GLN 107 -12.359   0.165   2.643
  329   1HG   GLN 107          2HG       GLN 107 -14.538   0.484   2.387
  330   2HG   GLN 107          3HG       GLN 107 -14.631   0.198   4.123
  331   1HE2  GLN 107          1HE2      GLN 107 -15.896   1.605   5.074
  332   2HE2  GLN 107          2HE2      GLN 107 -16.039   3.283   4.686
  333    H    GLU 108           HN       GLU 108 -11.822  -2.211   5.137
  334    HA   GLU 108           HA       GLU 108  -8.929  -1.976   5.096
  335   1HB   GLU 108          2HB       GLU 108 -10.649  -4.408   5.555
  336   2HB   GLU 108          3HB       GLU 108  -8.923  -4.300   5.818
  337   1HG   GLU 108          2HG       GLU 108  -9.202  -3.469   7.834
  338   2HG   GLU 108          3HG       GLU 108 -10.300  -2.224   7.248
  339    H    GLY 109           HN       GLY 109  -7.550  -2.941   3.655
  340   1HA   GLY 109          1HA       GLY 109  -8.182  -4.786   1.676
  341   2HA   GLY 109          2HA       GLY 109  -8.463  -3.198   0.981
  342    H    PHE 110           HN       PHE 110  -6.667  -4.478  -0.339
  343    HA   PHE 110           HA       PHE 110  -4.012  -4.104   0.744
  344   1HB   PHE 110          2HB       PHE 110  -5.234  -5.489  -1.568
  345   2HB   PHE 110          3HB       PHE 110  -3.610  -4.875  -1.807
  346    HD1  PHE 110           1HD      PHE 110  -2.212  -6.721  -1.783
  347    HD2  PHE 110           2HD      PHE 110  -5.211  -6.333   1.213
  348    HE1  PHE 110           1HE      PHE 110  -1.304  -8.693  -0.626
  349    HE2  PHE 110           2HE      PHE 110  -4.306  -8.305   2.377
  350    HZ   PHE 110           HZ       PHE 110  -2.351  -9.487   1.457
  351    H    ILE 111           HN       ILE 111  -2.438  -2.725  -0.171
  352    HA   ILE 111           HA       ILE 111  -3.359  -0.784  -2.155
  353    HB   ILE 111           HB       ILE 111  -2.619   1.127  -0.847
  354   1HG1  ILE 111          2HG1      ILE 111  -2.388  -0.490   1.646
  355   2HG1  ILE 111          3HG1      ILE 111  -1.047  -0.535   0.513
  356   1HG2  ILE 111          1HG2      ILE 111  -4.969   0.119  -0.660
  357   2HG2  ILE 111          2HG2      ILE 111  -4.465  -0.407   0.947
  358   3HG2  ILE 111          3HG2      ILE 111  -4.474   1.310   0.542
  359   1HD1  ILE 111          1HD1      ILE 111  -1.576   1.387   2.469
  360   2HD1  ILE 111          2HD1      ILE 111  -0.301   1.396   1.250
  361   3HD1  ILE 111          3HD1      ILE 111  -1.850   2.170   0.911
  362    HA   PRO 112           HA       PRO 112   0.619  -1.193  -3.957
  363   1HB   PRO 112          2HB       PRO 112   0.901   1.545  -4.592
  364   2HB   PRO 112          3HB       PRO 112   0.251   0.283  -5.638
  365   1HG   PRO 112          2HG       PRO 112  -1.179   2.291  -4.014
  366   2HG   PRO 112          3HG       PRO 112  -1.672   1.485  -5.497
  367   1HD   PRO 112          2HD       PRO 112  -2.705   0.876  -3.080
  368   2HD   PRO 112          3HD       PRO 112  -2.549  -0.304  -4.388
  369    H    PHE 113           HN       PHE 113   2.240  -1.549  -2.522
  370    HA   PHE 113           HA       PHE 113   2.790  -0.200  -0.206
  371   1HB   PHE 113          2HB       PHE 113   4.825  -1.354  -0.098
  372   2HB   PHE 113          3HB       PHE 113   3.801  -2.388  -1.089
  373    HD1  PHE 113           1HD      PHE 113   3.980  -1.068  -3.712
  374    HD2  PHE 113           2HD      PHE 113   6.985  -1.786  -0.785
  375    HE1  PHE 113           1HE      PHE 113   5.695  -1.045  -5.474
  376    HE2  PHE 113           2HE      PHE 113   8.705  -1.767  -2.543
  377    HZ   PHE 113           HZ       PHE 113   8.062  -1.396  -4.891
  378    H    ASN 114           HN       ASN 114   3.565   0.819  -3.432
  379    HA   ASN 114           HA       ASN 114   5.328   2.925  -2.421
  380   1HB   ASN 114          2HB       ASN 114   5.713   3.363  -4.877
  381   2HB   ASN 114          3HB       ASN 114   6.244   1.785  -4.307
  382   1HD2  ASN 114          1HD2      ASN 114   4.564   3.392  -6.661
  383   2HD2  ASN 114          2HD2      ASN 114   3.672   2.068  -7.319
  384    H    PHE 115           HN       PHE 115   2.443   2.952  -1.936
  385    HA   PHE 115           HA       PHE 115   1.759   5.428  -3.388
  386   1HB   PHE 115          2HB       PHE 115   0.360   2.982  -3.322
  387   2HB   PHE 115          3HB       PHE 115  -0.568   4.106  -2.346
  388    HD1  PHE 115           1HD      PHE 115   1.380   4.421  -5.520
  389    HD2  PHE 115           2HD      PHE 115  -2.317   4.959  -3.496
  390    HE1  PHE 115           1HE      PHE 115   0.411   5.407  -7.555
  391    HE2  PHE 115           2HE      PHE 115  -3.292   5.941  -5.512
  392    HZ   PHE 115           HZ       PHE 115  -1.932   6.172  -7.556
  393    H    VAL 116           HN       VAL 116   3.008   4.820  -0.604
  394    HA   VAL 116           HA       VAL 116   1.370   6.782   0.766
  395    HB   VAL 116           HB       VAL 116   1.187   5.390   2.825
  396   1HG1  VAL 116          1HG1      VAL 116  -0.256   4.050   0.571
  397   2HG1  VAL 116          2HG1      VAL 116  -0.840   4.447   2.186
  398   3HG1  VAL 116          3HG1      VAL 116  -0.592   5.728   0.999
  399   1HG2  VAL 116          1HG2      VAL 116   2.572   3.478   1.090
  400   2HG2  VAL 116          2HG2      VAL 116   2.495   3.560   2.850
  401   3HG2  VAL 116          3HG2      VAL 116   1.181   2.810   1.941
  402    H    ALA 117           HN       ALA 117   2.305   7.776   2.516
  403    HA   ALA 117           HA       ALA 117   5.061   7.093   3.215
  404   1HB   ALA 117          1HB       ALA 117   5.266   9.786   3.160
  405   2HB   ALA 117          2HB       ALA 117   5.753   8.740   1.826
  406   3HB   ALA 117          3HB       ALA 117   4.174   9.526   1.800
  407    H    LYS 118           HN       LYS 118   5.516   7.468   5.350
  408    HA   LYS 118           HA       LYS 118   3.662   7.473   7.293
  409   1HB   LYS 118          2HB       LYS 118   6.329   8.886   7.417
  410   2HB   LYS 118          3HB       LYS 118   5.360   8.450   8.819
  411   1HG   LYS 118          2HG       LYS 118   6.715   6.610   6.868
  412   2HG   LYS 118          3HG       LYS 118   7.040   6.801   8.591
  413   1HD   LYS 118          2HD       LYS 118   4.800   5.930   9.095
  414   2HD   LYS 118          3HD       LYS 118   4.507   5.711   7.370
  415   1HE   LYS 118          2HE       LYS 118   6.125   4.015   7.198
  416   2HE   LYS 118          3HE       LYS 118   6.844   4.430   8.754
  417   1HZ   LYS 118          1HZ       LYS 118   4.050   3.639   8.816
  418   2HZ   LYS 118          2HZ       LYS 118   5.309   3.248   9.875
  419   3HZ   LYS 118          3HZ       LYS 118   5.148   2.416   8.412
  420    H    ALA 119           HN       ALA 119   2.406   8.857   8.447
  421    HA   ALA 119           HA       ALA 119   1.692  11.343   7.251
  422   1HB   ALA 119          1HB       ALA 119  -0.133  10.428   8.300
  423   2HB   ALA 119          2HB       ALA 119   0.811   9.848   9.678
  424   3HB   ALA 119          3HB       ALA 119   0.404  11.558   9.542
  425    H    ASN 120           HN       ASN 120   4.276  11.734   7.594
  426    HA   ASN 120           HA       ASN 120   4.460  13.546   9.909
  427   1HB   ASN 120          2HB       ASN 120   6.366  11.512   8.890
  428   2HB   ASN 120          3HB       ASN 120   7.057  13.036   9.436
  429   1HD2  ASN 120          1HD2      ASN 120   4.477  10.848  10.518
  430   2HD2  ASN 120          2HD2      ASN 120   4.997  10.776  12.164
  Start of MODEL   15
    1    H    ASN  64           HN       ASN  64   2.176   3.307  12.768
    2    HA   ASN  64           HA       ASN  64   3.951   2.141  10.752
    3   1HB   ASN  64          2HB       ASN  64   1.454   0.839  11.832
    4   2HB   ASN  64          3HB       ASN  64   2.087   0.458  10.238
    5   1HD2  ASN  64          1HD2      ASN  64   1.873  -1.570  11.904
    6   2HD2  ASN  64          2HD2      ASN  64   3.413  -2.064  12.511
    7    H    LEU  65           HN       LEU  65   0.884   3.632  11.593
    8    HA   LEU  65           HA       LEU  65  -0.436   3.789   9.249
    9   1HB   LEU  65          2HB       LEU  65  -1.434   4.800  11.092
   10   2HB   LEU  65          3HB       LEU  65  -0.098   5.887  11.360
   11    HG   LEU  65           HG       LEU  65  -0.697   7.079   9.311
   12   1HD1  LEU  65          1HD1      LEU  65  -2.285   4.754   8.889
   13   2HD1  LEU  65          2HD1      LEU  65  -3.311   6.186   8.846
   14   3HD1  LEU  65          3HD1      LEU  65  -1.918   6.068   7.768
   15   1HD2  LEU  65          1HD2      LEU  65  -2.843   8.040  10.122
   16   2HD2  LEU  65          2HD2      LEU  65  -2.915   6.747  11.319
   17   3HD2  LEU  65          3HD2      LEU  65  -1.602   7.924  11.371
   18    H    VAL  66           HN       VAL  66  -0.463   4.919   7.464
   19    HA   VAL  66           HA       VAL  66   1.849   6.635   6.842
   20    HB   VAL  66           HB       VAL  66   1.539   5.739   4.495
   21   1HG1  VAL  66          1HG1      VAL  66   2.924   3.719   4.985
   22   2HG1  VAL  66          2HG1      VAL  66   3.503   5.209   5.732
   23   3HG1  VAL  66          3HG1      VAL  66   2.628   4.020   6.698
   24   1HG2  VAL  66          1HG2      VAL  66   0.654   3.429   4.360
   25   2HG2  VAL  66          2HG2      VAL  66   0.074   3.602   6.016
   26   3HG2  VAL  66          3HG2      VAL  66  -0.577   4.633   4.741
   27    H    ILE  67           HN       ILE  67   1.346   7.597   4.502
   28    HA   ILE  67           HA       ILE  67  -1.399   8.489   4.292
   29    HB   ILE  67           HB       ILE  67   0.682  10.179   5.385
   30   1HG1  ILE  67          2HG1      ILE  67  -2.275  10.361   4.904
   31   2HG1  ILE  67          3HG1      ILE  67  -1.453   9.979   6.386
   32   1HG2  ILE  67          1HG2      ILE  67  -0.697  11.183   2.894
   33   2HG2  ILE  67          2HG2      ILE  67   0.166  12.199   4.048
   34   3HG2  ILE  67          3HG2      ILE  67   1.039  10.973   3.126
   35   1HD1  ILE  67          1HD1      ILE  67  -1.514  12.103   6.987
   36   2HD1  ILE  67          2HD1      ILE  67  -0.626  12.560   5.532
   37   3HD1  ILE  67          3HD1      ILE  67  -2.389  12.470   5.499
   38    H    ALA  68           HN       ALA  68  -2.027   8.568   2.278
   39    HA   ALA  68           HA       ALA  68  -0.327   7.783   0.171
   40   1HB   ALA  68          1HB       ALA  68  -3.091   8.086   0.559
   41   2HB   ALA  68          2HB       ALA  68  -2.673   9.062  -0.850
   42   3HB   ALA  68          3HB       ALA  68  -2.262   7.348  -0.811
   43    H    LEU  69           HN       LEU  69   0.356   8.894  -1.675
   44    HA   LEU  69           HA       LEU  69   0.683  11.789  -1.264
   45   1HB   LEU  69          2HB       LEU  69   2.418   9.772  -2.676
   46   2HB   LEU  69          3HB       LEU  69   2.647  11.503  -2.846
   47    HG   LEU  69           HG       LEU  69   2.869   9.916  -0.283
   48   1HD1  LEU  69          1HD1      LEU  69   5.253  10.922  -0.472
   49   2HD1  LEU  69          2HD1      LEU  69   4.844   9.489  -1.416
   50   3HD1  LEU  69          3HD1      LEU  69   4.870  11.077  -2.185
   51   1HD2  LEU  69          1HD2      LEU  69   1.965  12.073   0.230
   52   2HD2  LEU  69          2HD2      LEU  69   3.675  12.073   0.665
   53   3HD2  LEU  69          3HD2      LEU  69   3.142  12.870  -0.815
   54    H    HIS  70           HN       HIS  70  -0.995   9.565  -3.089
   55    HA   HIS  70           HA       HIS  70  -1.782  11.598  -4.988
   56   1HB   HIS  70          2HB       HIS  70  -1.558   9.776  -6.863
   57   2HB   HIS  70          3HB       HIS  70  -0.184  10.783  -6.439
   58    HD1  HIS  70           1HD      HIS  70  -0.663   7.544  -7.407
   59    HD2  HIS  70           2HD      HIS  70   1.174   9.173  -4.066
   60    HE1  HIS  70           1HE      HIS  70   0.924   5.776  -6.588
   61    HE2  HIS  70           2HE      HIS  70   2.162   6.868  -4.686
   62    H    SER  71           HN       SER  71  -3.550  10.618  -6.496
   63    HA   SER  71           HA       SER  71  -5.518   9.438  -4.750
   64   1HB   SER  71          2HB       SER  71  -6.103   9.749  -7.644
   65   2HB   SER  71          3HB       SER  71  -7.080  10.186  -6.243
   66    HG   SER  71           HG       SER  71  -6.145  12.099  -6.164
   67    H    TYR  72           HN       TYR  72  -5.942   7.344  -4.559
   68    HA   TYR  72           HA       TYR  72  -4.786   5.516  -6.551
   69   1HB   TYR  72          2HB       TYR  72  -4.133   5.178  -4.180
   70   2HB   TYR  72          3HB       TYR  72  -5.814   4.854  -3.791
   71    HD1  TYR  72           1HD      TYR  72  -3.692   3.718  -6.647
   72    HD2  TYR  72           2HD      TYR  72  -5.987   2.612  -3.246
   73    HE1  TYR  72           1HE      TYR  72  -3.380   1.349  -7.216
   74    HE2  TYR  72           2HE      TYR  72  -5.677   0.238  -3.800
   75    HH   TYR  72           HH       TYR  72  -5.198  -1.107  -5.913
   76    H    GLU  73           HN       GLU  73  -5.931   3.862  -7.486
   77    HA   GLU  73           HA       GLU  73  -8.818   3.782  -7.076
   78   1HB   GLU  73          2HB       GLU  73  -7.481   4.794  -9.352
   79   2HB   GLU  73          3HB       GLU  73  -8.296   3.315  -9.813
   80   1HG   GLU  73          2HG       GLU  73 -10.400   4.168  -9.154
   81   2HG   GLU  73          3HG       GLU  73  -9.648   5.536  -8.329
   82    HA   PRO  74           HA       PRO  74  -7.234  -0.432  -6.259
   83   1HB   PRO  74          2HB       PRO  74 -10.032  -1.117  -6.166
   84   2HB   PRO  74          3HB       PRO  74  -8.874  -1.025  -4.840
   85   1HG   PRO  74          2HG       PRO  74 -10.844   0.965  -5.740
   86   2HG   PRO  74          3HG       PRO  74 -10.057   0.789  -4.163
   87   1HD   PRO  74          2HD       PRO  74  -9.434   2.801  -5.863
   88   2HD   PRO  74          3HD       PRO  74  -8.219   2.044  -4.808
   89    H    SER  75           HN       SER  75  -6.627  -1.746  -7.821
   90    HA   SER  75           HA       SER  75  -8.439  -2.189 -10.102
   91   1HB   SER  75          2HB       SER  75  -6.107  -0.941 -10.387
   92   2HB   SER  75          3HB       SER  75  -5.498  -2.595 -10.418
   93    HG   SER  75           HG       SER  75  -7.214  -2.928 -12.065
   94    H    HIS  76           HN       HIS  76  -5.984  -3.590  -7.983
   95    HA   HIS  76           HA       HIS  76  -6.398  -6.260  -8.984
   96   1HB   HIS  76          2HB       HIS  76  -4.645  -4.975  -6.955
   97   2HB   HIS  76          3HB       HIS  76  -5.020  -6.679  -6.714
   98    HD1  HIS  76           1HD      HIS  76  -3.592  -4.411  -9.406
   99    HD2  HIS  76           2HD      HIS  76  -3.454  -8.370  -8.153
  100    HE1  HIS  76           1HE      HIS  76  -1.854  -5.513 -10.850
  101    HE2  HIS  76           2HE      HIS  76  -1.712  -7.880 -10.000
  102    H    ASP  77           HN       ASP  77  -7.143  -8.039  -7.651
  103    HA   ASP  77           HA       ASP  77  -9.605  -7.467  -6.375
  104   1HB   ASP  77          2HB       ASP  77  -9.519  -9.926  -5.753
  105   2HB   ASP  77          3HB       ASP  77  -9.406  -9.568  -7.473
  106    H    GLY  78           HN       GLY  78 -10.200  -7.497  -4.226
  107   1HA   GLY  78          1HA       GLY  78  -9.957  -7.268  -1.951
  108   2HA   GLY  78          2HA       GLY  78  -8.541  -8.297  -2.094
  109    H    ASP  79           HN       ASP  79  -9.062  -5.126  -3.582
  110    HA   ASP  79           HA       ASP  79  -6.722  -4.164  -2.086
  111   1HB   ASP  79          2HB       ASP  79  -7.822  -3.325  -4.768
  112   2HB   ASP  79          3HB       ASP  79  -6.534  -2.468  -3.930
  113    H    LEU  80           HN       LEU  80  -6.695  -1.978  -1.376
  114    HA   LEU  80           HA       LEU  80  -9.379  -0.934  -0.774
  115   1HB   LEU  80          2HB       LEU  80  -8.472  -1.387   1.300
  116   2HB   LEU  80          3HB       LEU  80  -6.836  -1.047   0.784
  117    HG   LEU  80           HG       LEU  80  -7.503   1.398   0.726
  118   1HD1  LEU  80          1HD1      LEU  80  -9.995   0.179   1.740
  119   2HD1  LEU  80          2HD1      LEU  80  -9.455   1.659   2.536
  120   3HD1  LEU  80          3HD1      LEU  80  -9.750   1.649   0.797
  121   1HD2  LEU  80          1HD2      LEU  80  -7.574  -0.050   3.366
  122   2HD2  LEU  80          2HD2      LEU  80  -6.124   0.446   2.492
  123   3HD2  LEU  80          3HD2      LEU  80  -7.225   1.663   3.140
  124    H    GLY  81           HN       GLY  81  -9.912   1.021  -1.538
  125   1HA   GLY  81          1HA       GLY  81  -7.863   2.501  -3.010
  126   2HA   GLY  81          2HA       GLY  81  -9.593   2.730  -3.157
  127    H    PHE  82           HN       PHE  82  -7.346   4.620  -2.648
  128    HA   PHE  82           HA       PHE  82  -8.619   5.998  -0.418
  129   1HB   PHE  82          2HB       PHE  82  -6.200   6.632   0.330
  130   2HB   PHE  82          3HB       PHE  82  -6.907   5.111   0.848
  131    HD1  PHE  82           1HD      PHE  82  -4.091   6.627  -0.571
  132    HD2  PHE  82           2HD      PHE  82  -6.397   3.059  -0.726
  133    HE1  PHE  82           1HE      PHE  82  -2.157   5.423  -1.513
  134    HE2  PHE  82           2HE      PHE  82  -4.473   1.856  -1.676
  135    HZ   PHE  82           HZ       PHE  82  -2.351   3.036  -2.065
  136    H    GLU  83           HN       GLU  83  -7.500   8.238  -0.165
  137    HA   GLU  83           HA       GLU  83  -7.280   9.349  -2.881
  138   1HB   GLU  83          2HB       GLU  83  -8.688  10.155  -0.467
  139   2HB   GLU  83          3HB       GLU  83  -7.699  11.453  -1.113
  140   1HG   GLU  83          2HG       GLU  83  -8.953  10.418  -3.340
  141   2HG   GLU  83          3HG       GLU  83 -10.188  10.344  -2.086
  142    H    LYS  84           HN       LYS  84  -6.019  11.521  -2.844
  143    HA   LYS  84           HA       LYS  84  -3.347  10.916  -2.031
  144   1HB   LYS  84          2HB       LYS  84  -3.434  12.129  -4.009
  145   2HB   LYS  84          3HB       LYS  84  -4.688  13.202  -3.417
  146   1HG   LYS  84          2HG       LYS  84  -2.815  14.004  -1.777
  147   2HG   LYS  84          3HG       LYS  84  -1.739  13.295  -2.979
  148   1HD   LYS  84          2HD       LYS  84  -3.871  15.332  -3.593
  149   2HD   LYS  84          3HD       LYS  84  -2.174  15.725  -3.312
  150   1HE   LYS  84          2HE       LYS  84  -1.746  13.958  -5.179
  151   2HE   LYS  84          3HE       LYS  84  -3.433  14.262  -5.595
  152   1HZ   LYS  84          1HZ       LYS  84  -2.863  16.648  -5.748
  153   2HZ   LYS  84          2HZ       LYS  84  -2.049  15.696  -6.885
  154   3HZ   LYS  84          3HZ       LYS  84  -1.234  16.255  -5.511
  155    H    GLY  85           HN       GLY  85  -2.380  11.396  -0.173
  156   1HA   GLY  85          1HA       GLY  85  -1.888  12.587   1.785
  157   2HA   GLY  85          2HA       GLY  85  -3.277  13.629   1.468
  158    H    GLU  86           HN       GLU  86  -4.661  10.823   0.992
  159    HA   GLU  86           HA       GLU  86  -6.079  10.707   3.378
  160   1HB   GLU  86          2HB       GLU  86  -6.306   9.526   0.944
  161   2HB   GLU  86          3HB       GLU  86  -5.714   8.176   1.892
  162   1HG   GLU  86          2HG       GLU  86  -8.335   9.049   1.611
  163   2HG   GLU  86          3HG       GLU  86  -7.728   7.788   2.663
  164    H    GLN  87           HN       GLN  87  -6.118   8.796   4.862
  165    HA   GLN  87           HA       GLN  87  -3.383   7.848   5.378
  166   1HB   GLN  87          2HB       GLN  87  -5.362   8.396   7.569
  167   2HB   GLN  87          3HB       GLN  87  -3.633   8.131   7.705
  168   1HG   GLN  87          2HG       GLN  87  -3.128  10.261   7.267
  169   2HG   GLN  87          3HG       GLN  87  -4.386  10.417   6.048
  170   1HE2  GLN  87          1HE2      GLN  87  -4.692   9.469   9.430
  171   2HE2  GLN  87          2HE2      GLN  87  -5.701  10.791   9.899
  172    H    LEU  88           HN       LEU  88  -3.132   5.839   6.218
  173    HA   LEU  88           HA       LEU  88  -5.449   4.105   6.565
  174   1HB   LEU  88          2HB       LEU  88  -3.292   3.005   4.856
  175   2HB   LEU  88          3HB       LEU  88  -4.994   2.603   4.904
  176    HG   LEU  88           HG       LEU  88  -4.459   5.297   3.880
  177   1HD1  LEU  88          1HD1      LEU  88  -3.198   4.842   2.070
  178   2HD1  LEU  88          2HD1      LEU  88  -2.567   3.559   3.107
  179   3HD1  LEU  88          3HD1      LEU  88  -3.818   3.198   1.916
  180   1HD2  LEU  88          1HD2      LEU  88  -6.177   4.743   2.390
  181   2HD2  LEU  88          2HD2      LEU  88  -5.896   3.007   2.583
  182   3HD2  LEU  88          3HD2      LEU  88  -6.620   3.941   3.899
  183    H    ARG  89           HN       ARG  89  -5.119   2.816   8.217
  184    HA   ARG  89           HA       ARG  89  -2.545   2.758   9.474
  185   1HB   ARG  89          2HB       ARG  89  -4.389   2.929  10.947
  186   2HB   ARG  89          3HB       ARG  89  -5.238   1.603  10.165
  187   1HG   ARG  89          2HG       ARG  89  -3.652   0.030  11.000
  188   2HG   ARG  89          3HG       ARG  89  -2.661   1.325  11.656
  189   1HD   ARG  89          2HD       ARG  89  -4.802   1.973  12.944
  190   2HD   ARG  89          3HD       ARG  89  -5.314   0.329  12.603
  191    HE   ARG  89           HE       ARG  89  -3.177   1.173  14.379
  192   1HH1  ARG  89          2HH1      ARG  89  -4.741  -1.479  12.726
  193   2HH1  ARG  89          1HH1      ARG  89  -4.090  -2.683  13.786
  194   1HH2  ARG  89          2HH2      ARG  89  -2.320  -0.416  15.767
  195   2HH2  ARG  89          1HH2      ARG  89  -2.719  -2.081  15.510
  196    H    ILE  90           HN       ILE  90  -1.118   1.576   8.437
  197    HA   ILE  90           HA       ILE  90  -1.568  -0.634   6.830
  198    HB   ILE  90           HB       ILE  90   0.978  -0.118   8.371
  199   1HG1  ILE  90          2HG1      ILE  90   0.235   1.904   7.192
  200   2HG1  ILE  90          3HG1      ILE  90   1.682   1.240   6.464
  201   1HG2  ILE  90          1HG2      ILE  90   1.985  -1.614   7.039
  202   2HG2  ILE  90          2HG2      ILE  90   0.352  -2.234   6.797
  203   3HG2  ILE  90          3HG2      ILE  90   1.057  -1.124   5.620
  204   1HD1  ILE  90          1HD1      ILE  90  -0.944   1.684   5.326
  205   2HD1  ILE  90          2HD1      ILE  90   0.611   1.436   4.531
  206   3HD1  ILE  90          3HD1      ILE  90  -0.348   0.047   5.044
  207    H    LEU  91           HN       LEU  91  -2.465  -2.441   7.361
  208    HA   LEU  91           HA       LEU  91  -2.315  -3.579  10.007
  209   1HB   LEU  91          2HB       LEU  91  -3.375  -4.887   7.508
  210   2HB   LEU  91          3HB       LEU  91  -3.835  -5.210   9.169
  211    HG   LEU  91           HG       LEU  91  -4.429  -2.675   7.646
  212   1HD1  LEU  91          1HD1      LEU  91  -5.967  -3.998   6.693
  213   2HD1  LEU  91          2HD1      LEU  91  -5.929  -5.182   8.001
  214   3HD1  LEU  91          3HD1      LEU  91  -6.840  -3.682   8.192
  215   1HD2  LEU  91          1HD2      LEU  91  -4.449  -3.273  10.452
  216   2HD2  LEU  91          2HD2      LEU  91  -4.787  -1.750   9.631
  217   3HD2  LEU  91          3HD2      LEU  91  -6.083  -2.914   9.897
  218    H    GLU  92           HN       GLU  92  -1.236  -4.329   6.759
  219    HA   GLU  92           HA       GLU  92   1.077  -5.736   7.811
  220   1HB   GLU  92          2HB       GLU  92  -1.157  -7.087   6.615
  221   2HB   GLU  92          3HB       GLU  92   0.253  -7.252   5.575
  222   1HG   GLU  92          2HG       GLU  92   1.011  -8.850   6.890
  223   2HG   GLU  92          3HG       GLU  92   1.149  -7.670   8.197
  224    H    GLN  93           HN       GLN  93   2.817  -5.868   6.249
  225    HA   GLN  93           HA       GLN  93   2.427  -4.231   3.870
  226   1HB   GLN  93          2HB       GLN  93   4.815  -3.303   4.596
  227   2HB   GLN  93          3HB       GLN  93   3.316  -2.526   5.067
  228   1HG   GLN  93          2HG       GLN  93   3.369  -3.806   7.155
  229   2HG   GLN  93          3HG       GLN  93   4.918  -4.450   6.665
  230   1HE2  GLN  93          1HE2      GLN  93   6.705  -3.000   6.453
  231   2HE2  GLN  93          2HE2      GLN  93   6.744  -1.528   7.358
  232    H    SER  94           HN       SER  94   2.713  -7.034   4.056
  233    HA   SER  94           HA       SER  94   5.441  -7.649   3.323
  234   1HB   SER  94          2HB       SER  94   4.816  -9.628   4.145
  235   2HB   SER  94          3HB       SER  94   3.127  -9.134   4.196
  236    HG   SER  94           HG       SER  94   2.833  -9.923   2.167
  237    H    GLY  95           HN       GLY  95   6.220  -7.797   1.316
  238   1HA   GLY  95          1HA       GLY  95   6.264  -7.924  -1.000
  239   2HA   GLY  95          2HA       GLY  95   4.559  -8.326  -0.957
  240    H    GLU  96           HN       GLU  96   5.547  -6.799  -2.917
  241    HA   GLU  96           HA       GLU  96   5.678  -4.078  -2.711
  242   1HB   GLU  96          2HB       GLU  96   6.042  -4.668  -4.853
  243   2HB   GLU  96          3HB       GLU  96   4.906  -6.011  -4.772
  244   1HG   GLU  96          2HG       GLU  96   3.078  -4.571  -5.066
  245   2HG   GLU  96          3HG       GLU  96   4.103  -3.143  -4.968
  246    H    TRP  97           HN       TRP  97   2.903  -6.051  -2.119
  247    HA   TRP  97           HA       TRP  97   1.194  -3.659  -2.120
  248   1HB   TRP  97          2HB       TRP  97   0.581  -6.583  -2.476
  249   2HB   TRP  97          3HB       TRP  97  -0.673  -5.420  -2.058
  250    HD1  TRP  97           1HD      TRP  97   1.664  -6.397  -4.929
  251    HE1  TRP  97           1HE      TRP  97   0.835  -5.268  -7.089
  252    HE3  TRP  97           3HE      TRP  97  -2.007  -3.450  -2.946
  253    HZ2  TRP  97           2HZ      TRP  97  -1.116  -3.372  -7.848
  254    HZ3  TRP  97           3HZ      TRP  97  -3.305  -2.008  -4.449
  255    HH2  TRP  97           2HH      TRP  97  -2.867  -1.965  -6.849
  256    H    TRP  98           HN       TRP  98   0.732  -2.818  -0.199
  257    HA   TRP  98           HA       TRP  98   1.069  -4.473   2.193
  258   1HB   TRP  98          2HB       TRP  98   1.013  -1.485   1.817
  259   2HB   TRP  98          3HB       TRP  98   1.064  -2.273   3.385
  260    HD1  TRP  98           1HD      TRP  98   3.154  -4.364   1.322
  261    HE1  TRP  98           1HE      TRP  98   5.644  -3.753   1.564
  262    HE3  TRP  98           3HE      TRP  98   2.621   0.166   3.551
  263    HZ2  TRP  98           2HZ      TRP  98   7.180  -1.589   2.572
  264    HZ3  TRP  98           3HZ      TRP  98   4.633   1.470   4.124
  265    HH2  TRP  98           2HH      TRP  98   6.869   0.602   3.646
  266    H    LYS  99           HN       LYS  99  -0.489  -4.713   3.717
  267    HA   LYS  99           HA       LYS  99  -3.216  -4.139   2.902
  268   1HB   LYS  99          2HB       LYS  99  -2.756  -6.358   3.789
  269   2HB   LYS  99          3HB       LYS  99  -2.075  -5.664   5.250
  270   1HG   LYS  99          2HG       LYS  99  -4.478  -6.614   5.294
  271   2HG   LYS  99          3HG       LYS  99  -4.133  -5.087   6.107
  272   1HD   LYS  99          2HD       LYS  99  -5.137  -3.829   4.461
  273   2HD   LYS  99          3HD       LYS  99  -5.069  -5.132   3.272
  274   1HE   LYS  99          2HE       LYS  99  -6.577  -6.000   5.541
  275   2HE   LYS  99          3HE       LYS  99  -7.195  -4.443   4.997
  276   1HZ   LYS  99          1HZ       LYS  99  -6.855  -5.825   2.687
  277   2HZ   LYS  99          2HZ       LYS  99  -8.323  -5.629   3.505
  278   3HZ   LYS  99          3HZ       LYS  99  -7.395  -7.021   3.756
  279    H    ALA 100           HN       ALA 100  -4.066  -2.209   3.433
  280    HA   ALA 100           HA       ALA 100  -3.242  -1.020   6.003
  281   1HB   ALA 100          1HB       ALA 100  -2.630   0.105   3.686
  282   2HB   ALA 100          2HB       ALA 100  -4.272   0.740   3.843
  283   3HB   ALA 100          3HB       ALA 100  -3.075   1.062   5.102
  284    H    GLN 101           HN       GLN 101  -4.771  -0.131   7.312
  285    HA   GLN 101           HA       GLN 101  -7.554  -0.632   6.504
  286   1HB   GLN 101          2HB       GLN 101  -7.037  -1.888   8.480
  287   2HB   GLN 101          3HB       GLN 101  -6.297  -0.500   9.253
  288   1HG   GLN 101          2HG       GLN 101  -8.578   0.563   9.070
  289   2HG   GLN 101          3HG       GLN 101  -9.197  -1.031   8.711
  290   1HE2  GLN 101          1HE2      GLN 101  -7.646   0.978  11.109
  291   2HE2  GLN 101          2HE2      GLN 101  -8.018  -0.016  12.472
  292    H    SER 102           HN       SER 102  -8.448   1.157   5.784
  293    HA   SER 102           HA       SER 102  -7.505   3.720   6.006
  294   1HB   SER 102          2HB       SER 102  -9.910   2.399   5.118
  295   2HB   SER 102          3HB       SER 102 -10.284   3.923   5.883
  296    HG   SER 102           HG       SER 102  -9.775   3.954   3.552
  297    H    LEU 103           HN       LEU 103  -8.597   5.566   7.169
  298    HA   LEU 103           HA       LEU 103  -9.327   4.715   9.893
  299   1HB   LEU 103          2HB       LEU 103  -7.437   6.859   9.015
  300   2HB   LEU 103          3HB       LEU 103  -8.157   6.853  10.612
  301    HG   LEU 103           HG       LEU 103  -7.235   4.298  10.456
  302   1HD1  LEU 103          1HD1      LEU 103  -6.150   4.480   8.394
  303   2HD1  LEU 103          2HD1      LEU 103  -5.435   6.037   8.813
  304   3HD1  LEU 103          3HD1      LEU 103  -4.873   4.567   9.608
  305   1HD2  LEU 103          1HD2      LEU 103  -5.714   4.871  12.085
  306   2HD2  LEU 103          2HD2      LEU 103  -5.356   6.439  11.353
  307   3HD2  LEU 103          3HD2      LEU 103  -6.886   6.189  12.196
  308    H    THR 104           HN       THR 104  -9.992   6.814   7.249
  309    HA   THR 104           HA       THR 104 -11.800   8.497   8.748
  310    HB   THR 104           HB       THR 104 -11.719   8.294   5.754
  311    HG1  THR 104           1HG      THR 104  -9.858   9.751   7.319
  312   1HG2  THR 104          1HG2      THR 104 -13.287   9.846   6.454
  313   2HG2  THR 104          2HG2      THR 104 -11.860  10.803   6.046
  314   3HG2  THR 104          3HG2      THR 104 -12.238  10.457   7.733
  315    H    THR 105           HN       THR 105 -11.853   5.870   6.480
  316    HA   THR 105           HA       THR 105 -14.747   5.466   6.818
  317    HB   THR 105           HB       THR 105 -14.779   4.641   4.696
  318    HG1  THR 105           1HG      THR 105 -12.043   3.970   4.837
  319   1HG2  THR 105          1HG2      THR 105 -13.954   6.885   4.388
  320   2HG2  THR 105          2HG2      THR 105 -13.262   5.806   3.175
  321   3HG2  THR 105          3HG2      THR 105 -12.296   6.307   4.565
  322    H    GLY 106           HN       GLY 106 -11.611   4.084   6.928
  323   1HA   GLY 106          1HA       GLY 106 -10.714   2.433   8.168
  324   2HA   GLY 106          2HA       GLY 106 -12.294   2.052   8.794
  325    H    GLN 107           HN       GLN 107 -12.586   2.142   5.505
  326    HA   GLN 107           HA       GLN 107 -13.078  -0.514   5.149
  327   1HB   GLN 107          2HB       GLN 107 -12.407   1.738   3.375
  328   2HB   GLN 107          3HB       GLN 107 -12.432   0.125   2.685
  329   1HG   GLN 107          2HG       GLN 107 -14.610   0.455   2.429
  330   2HG   GLN 107          3HG       GLN 107 -14.700   0.166   4.166
  331   1HE2  GLN 107          1HE2      GLN 107 -14.074   2.788   1.859
  332   2HE2  GLN 107          2HE2      GLN 107 -14.939   3.999   2.736
  333    H    GLU 108           HN       GLU 108 -11.882  -2.239   5.164
  334    HA   GLU 108           HA       GLU 108  -8.989  -1.985   5.136
  335   1HB   GLU 108          2HB       GLU 108 -10.746  -4.384   5.623
  336   2HB   GLU 108          3HB       GLU 108  -9.006  -4.365   5.782
  337   1HG   GLU 108          2HG       GLU 108  -9.131  -3.572   7.828
  338   2HG   GLU 108          3HG       GLU 108 -10.162  -2.239   7.317
  339    H    GLY 109           HN       GLY 109  -7.599  -2.988   3.723
  340   1HA   GLY 109          1HA       GLY 109  -8.219  -4.802   1.718
  341   2HA   GLY 109          2HA       GLY 109  -8.476  -3.207   1.032
  342    H    PHE 110           HN       PHE 110  -6.661  -4.525  -0.256
  343    HA   PHE 110           HA       PHE 110  -4.029  -4.115   0.881
  344   1HB   PHE 110          2HB       PHE 110  -5.193  -5.616  -1.384
  345   2HB   PHE 110          3HB       PHE 110  -3.574  -4.991  -1.632
  346    HD1  PHE 110           1HD      PHE 110  -5.295  -6.437   1.340
  347    HD2  PHE 110           2HD      PHE 110  -2.054  -6.704  -1.407
  348    HE1  PHE 110           1HE      PHE 110  -4.381  -8.339   2.607
  349    HE2  PHE 110           2HE      PHE 110  -1.135  -8.606  -0.145
  350    HZ   PHE 110           HZ       PHE 110  -2.300  -9.426   1.865
  351    H    ILE 111           HN       ILE 111  -2.519  -2.664   0.116
  352    HA   ILE 111           HA       ILE 111  -3.382  -0.818  -2.004
  353    HB   ILE 111           HB       ILE 111  -2.536   1.097  -0.722
  354   1HG1  ILE 111          2HG1      ILE 111  -2.496  -0.550   1.773
  355   2HG1  ILE 111          3HG1      ILE 111  -1.102  -0.589   0.705
  356   1HG2  ILE 111          1HG2      ILE 111  -4.439   1.423   0.564
  357   2HG2  ILE 111          2HG2      ILE 111  -4.948   0.236  -0.634
  358   3HG2  ILE 111          3HG2      ILE 111  -4.555  -0.282   1.006
  359   1HD1  ILE 111          1HD1      ILE 111  -1.417   2.050   0.888
  360   2HD1  ILE 111          2HD1      ILE 111  -2.085   1.565   2.447
  361   3HD1  ILE 111          3HD1      ILE 111  -0.438   1.107   2.012
  362    HA   PRO 112           HA       PRO 112   0.611  -1.268  -3.763
  363   1HB   PRO 112          2HB       PRO 112   0.909   1.408  -4.538
  364   2HB   PRO 112          3HB       PRO 112   0.167   0.128  -5.499
  365   1HG   PRO 112          2HG       PRO 112  -1.120   2.227  -3.848
  366   2HG   PRO 112          3HG       PRO 112  -1.685   1.461  -5.326
  367   1HD   PRO 112          2HD       PRO 112  -2.686   0.869  -2.902
  368   2HD   PRO 112          3HD       PRO 112  -2.583  -0.317  -4.208
  369    H    PHE 113           HN       PHE 113   2.298  -1.522  -2.404
  370    HA   PHE 113           HA       PHE 113   2.808  -0.086  -0.108
  371   1HB   PHE 113          2HB       PHE 113   4.810  -1.265   0.075
  372   2HB   PHE 113          3HB       PHE 113   3.812  -2.317  -0.921
  373    HD1  PHE 113           1HD      PHE 113   6.976  -1.804  -0.547
  374    HD2  PHE 113           2HD      PHE 113   4.086  -0.977  -3.558
  375    HE1  PHE 113           1HE      PHE 113   8.750  -1.831  -2.252
  376    HE2  PHE 113           2HE      PHE 113   5.853  -1.003  -5.269
  377    HZ   PHE 113           HZ       PHE 113   8.189  -1.431  -4.616
  378    H    ASN 114           HN       ASN 114   3.523   0.849  -3.361
  379    HA   ASN 114           HA       ASN 114   5.306   2.976  -2.417
  380   1HB   ASN 114          2HB       ASN 114   5.742   3.307  -4.879
  381   2HB   ASN 114          3HB       ASN 114   6.264   1.757  -4.231
  382   1HD2  ASN 114          1HD2      ASN 114   5.930   2.080  -6.908
  383   2HD2  ASN 114          2HD2      ASN 114   4.554   1.183  -7.446
  384    H    PHE 115           HN       PHE 115   2.490   3.092  -1.895
  385    HA   PHE 115           HA       PHE 115   1.730   5.407  -3.557
  386   1HB   PHE 115          2HB       PHE 115   0.398   3.018  -3.330
  387   2HB   PHE 115          3HB       PHE 115  -0.441   4.026  -2.166
  388    HD1  PHE 115           1HD      PHE 115  -0.112   3.142  -5.584
  389    HD2  PHE 115           2HD      PHE 115  -1.305   6.293  -2.988
  390    HE1  PHE 115           1HE      PHE 115  -1.452   4.120  -7.394
  391    HE2  PHE 115           2HE      PHE 115  -2.646   7.276  -4.794
  392    HZ   PHE 115           HZ       PHE 115  -2.720   6.195  -7.005
  393    H    VAL 116           HN       VAL 116   2.552   4.402  -0.428
  394    HA   VAL 116           HA       VAL 116   1.318   6.836   0.666
  395    HB   VAL 116           HB       VAL 116   0.967   5.586   2.809
  396   1HG1  VAL 116          1HG1      VAL 116  -0.732   4.192   0.860
  397   2HG1  VAL 116          2HG1      VAL 116  -1.170   5.213   2.230
  398   3HG1  VAL 116          3HG1      VAL 116  -0.668   5.949   0.707
  399   1HG2  VAL 116          1HG2      VAL 116   2.227   3.650   2.744
  400   2HG2  VAL 116          2HG2      VAL 116   0.628   3.037   2.320
  401   3HG2  VAL 116          3HG2      VAL 116   1.823   3.325   1.057
  402    H    ALA 117           HN       ALA 117   2.300   7.783   2.445
  403    HA   ALA 117           HA       ALA 117   4.978   6.861   3.186
  404   1HB   ALA 117          1HB       ALA 117   4.477   9.084   1.501
  405   2HB   ALA 117          2HB       ALA 117   5.013   9.712   3.058
  406   3HB   ALA 117          3HB       ALA 117   6.016   8.556   2.182
  407    H    LYS 118           HN       LYS 118   5.531   7.337   5.314
  408    HA   LYS 118           HA       LYS 118   3.700   7.369   7.280
  409   1HB   LYS 118          2HB       LYS 118   6.365   8.795   7.345
  410   2HB   LYS 118          3HB       LYS 118   5.415   8.383   8.766
  411   1HG   LYS 118          2HG       LYS 118   6.750   6.510   6.835
  412   2HG   LYS 118          3HG       LYS 118   7.098   6.737   8.551
  413   1HD   LYS 118          2HD       LYS 118   4.866   5.871   9.099
  414   2HD   LYS 118          3HD       LYS 118   4.556   5.611   7.382
  415   1HE   LYS 118          2HE       LYS 118   5.931   3.799   7.266
  416   2HE   LYS 118          3HE       LYS 118   7.017   4.408   8.514
  417   1HZ   LYS 118          1HZ       LYS 118   4.402   3.794   9.517
  418   2HZ   LYS 118          2HZ       LYS 118   5.918   3.305  10.086
  419   3HZ   LYS 118          3HZ       LYS 118   5.166   2.446   8.838
  420    H    ALA 119           HN       ALA 119   2.452   8.767   8.420
  421    HA   ALA 119           HA       ALA 119   1.709  11.229   7.196
  422   1HB   ALA 119          1HB       ALA 119   0.867   9.761   9.649
  423   2HB   ALA 119          2HB       ALA 119   0.470  11.473   9.520
  424   3HB   ALA 119          3HB       ALA 119  -0.100  10.346   8.289
  425    H    ASN 120           HN       ASN 120   4.302  11.641   7.496
  426    HA   ASN 120           HA       ASN 120   4.438  13.645   9.635
  427   1HB   ASN 120          2HB       ASN 120   6.251  11.343   9.184
  428   2HB   ASN 120          3HB       ASN 120   7.022  12.881   9.562
  429   1HD2  ASN 120          1HD2      ASN 120   4.347  10.827  10.660
  430   2HD2  ASN 120          2HD2      ASN 120   4.602  11.102  12.346
  Start of MODEL   16
    1    H    ASN  64           HN       ASN  64   1.532   2.808  12.755
    2    HA   ASN  64           HA       ASN  64   3.585   2.057  10.924
    3   1HB   ASN  64          2HB       ASN  64   1.493   0.036  11.663
    4   2HB   ASN  64          3HB       ASN  64   2.098   0.099  10.014
    5   1HD2  ASN  64          1HD2      ASN  64   2.369  -2.059  11.848
    6   2HD2  ASN  64          2HD2      ASN  64   4.058  -2.301  12.113
    7    H    LEU  65           HN       LEU  65   1.449   4.096  11.502
    8    HA   LEU  65           HA       LEU  65  -0.369   3.793   9.296
    9   1HB   LEU  65          2HB       LEU  65  -1.316   4.854  11.137
   10   2HB   LEU  65          3HB       LEU  65   0.029   5.943  11.344
   11    HG   LEU  65           HG       LEU  65  -0.614   7.081   9.286
   12   1HD1  LEU  65          1HD1      LEU  65  -3.246   6.181   8.910
   13   2HD1  LEU  65          2HD1      LEU  65  -1.883   6.052   7.797
   14   3HD1  LEU  65          3HD1      LEU  65  -2.212   4.754   8.947
   15   1HD2  LEU  65          1HD2      LEU  65  -2.721   8.090  10.124
   16   2HD2  LEU  65          2HD2      LEU  65  -2.797   6.817  11.341
   17   3HD2  LEU  65          3HD2      LEU  65  -1.464   7.971  11.356
   18    H    VAL  66           HN       VAL  66  -0.438   4.883   7.483
   19    HA   VAL  66           HA       VAL  66   1.886   6.541   6.756
   20    HB   VAL  66           HB       VAL  66   1.467   5.610   4.433
   21   1HG1  VAL  66          1HG1      VAL  66   2.635   3.979   6.661
   22   2HG1  VAL  66          2HG1      VAL  66   2.796   3.523   4.964
   23   3HG1  VAL  66          3HG1      VAL  66   3.476   5.047   5.536
   24   1HG2  VAL  66          1HG2      VAL  66  -0.648   4.547   4.753
   25   2HG2  VAL  66          2HG2      VAL  66   0.546   3.296   4.407
   26   3HG2  VAL  66          3HG2      VAL  66  -0.003   3.558   6.062
   27    H    ILE  67           HN       ILE  67   1.335   7.498   4.432
   28    HA   ILE  67           HA       ILE  67  -1.400   8.432   4.297
   29    HB   ILE  67           HB       ILE  67   0.744  10.106   5.300
   30   1HG1  ILE  67          2HG1      ILE  67  -2.226  10.325   4.922
   31   2HG1  ILE  67          3HG1      ILE  67  -1.364   9.926   6.377
   32   1HG2  ILE  67          1HG2      ILE  67   1.019  10.871   3.018
   33   2HG2  ILE  67          2HG2      ILE  67  -0.723  11.104   2.857
   34   3HG2  ILE  67          3HG2      ILE  67   0.203  12.117   3.965
   35   1HD1  ILE  67          1HD1      ILE  67  -1.383  12.049   6.981
   36   2HD1  ILE  67          2HD1      ILE  67  -0.517  12.492   5.509
   37   3HD1  ILE  67          3HD1      ILE  67  -2.280  12.437   5.511
   38    H    ALA  68           HN       ALA  68  -2.086   8.414   2.313
   39    HA   ALA  68           HA       ALA  68  -0.539   7.554   0.162
   40   1HB   ALA  68          1HB       ALA  68  -2.848   9.128  -0.653
   41   2HB   ALA  68          2HB       ALA  68  -2.478   7.428  -0.921
   42   3HB   ALA  68          3HB       ALA  68  -3.214   7.939   0.598
   43    H    LEU  69           HN       LEU  69   0.246   8.566  -1.680
   44    HA   LEU  69           HA       LEU  69   1.000  11.366  -1.266
   45   1HB   LEU  69          2HB       LEU  69   2.144   9.182  -2.994
   46   2HB   LEU  69          3HB       LEU  69   2.665  10.853  -3.105
   47    HG   LEU  69           HG       LEU  69   2.943   9.023  -0.718
   48   1HD1  LEU  69          1HD1      LEU  69   5.389   9.591  -1.098
   49   2HD1  LEU  69          2HD1      LEU  69   4.640   8.505  -2.267
   50   3HD1  LEU  69          3HD1      LEU  69   4.898  10.201  -2.677
   51   1HD2  LEU  69          1HD2      LEU  69   3.202  11.972  -0.996
   52   2HD2  LEU  69          2HD2      LEU  69   2.616  11.010   0.361
   53   3HD2  LEU  69          3HD2      LEU  69   4.346  11.119   0.041
   54    H    HIS  70           HN       HIS  70  -0.843   9.281  -3.327
   55    HA   HIS  70           HA       HIS  70  -1.796  11.608  -4.798
   56   1HB   HIS  70          2HB       HIS  70  -1.744   9.921  -6.877
   57   2HB   HIS  70          3HB       HIS  70  -0.428  11.025  -6.519
   58    HD1  HIS  70           1HD      HIS  70  -1.026   7.603  -7.282
   59    HD2  HIS  70           2HD      HIS  70   1.646   9.642  -4.847
   60    HE1  HIS  70           1HE      HIS  70   0.848   5.984  -6.840
   61    HE2  HIS  70           2HE      HIS  70   2.401   7.205  -5.277
   62    H    SER  71           HN       SER  71  -3.571  10.623  -6.473
   63    HA   SER  71           HA       SER  71  -5.556   9.459  -4.732
   64   1HB   SER  71          2HB       SER  71  -6.121   9.778  -7.631
   65   2HB   SER  71          3HB       SER  71  -7.108  10.209  -6.236
   66    HG   SER  71           HG       SER  71  -6.466  12.149  -6.826
   67    H    TYR  72           HN       TYR  72  -6.003   7.367  -4.553
   68    HA   TYR  72           HA       TYR  72  -4.824   5.536  -6.531
   69   1HB   TYR  72          2HB       TYR  72  -4.163   5.189  -4.178
   70   2HB   TYR  72          3HB       TYR  72  -5.845   4.909  -3.759
   71    HD1  TYR  72           1HD      TYR  72  -3.804   3.677  -6.640
   72    HD2  TYR  72           2HD      TYR  72  -6.044   2.681  -3.166
   73    HE1  TYR  72           1HE      TYR  72  -3.554   1.289  -7.170
   74    HE2  TYR  72           2HE      TYR  72  -5.795   0.292  -3.682
   75    HH   TYR  72           HH       TYR  72  -4.799  -0.848  -6.657
   76    H    GLU  73           HN       GLU  73  -5.950   3.905  -7.489
   77    HA   GLU  73           HA       GLU  73  -8.834   3.770  -7.078
   78   1HB   GLU  73          2HB       GLU  73  -7.510   4.820  -9.350
   79   2HB   GLU  73          3HB       GLU  73  -8.307   3.334  -9.819
   80   1HG   GLU  73          2HG       GLU  73 -10.420   4.159  -9.141
   81   2HG   GLU  73          3HG       GLU  73  -9.681   5.537  -8.326
   82    HA   PRO  74           HA       PRO  74  -7.191  -0.414  -6.236
   83   1HB   PRO  74          2HB       PRO  74 -10.000  -1.123  -6.324
   84   2HB   PRO  74          3HB       PRO  74  -8.901  -1.097  -4.945
   85   1HG   PRO  74          2HG       PRO  74 -10.833   0.931  -5.818
   86   2HG   PRO  74          3HG       PRO  74 -10.068   0.711  -4.236
   87   1HD   PRO  74          2HD       PRO  74  -9.429   2.773  -5.875
   88   2HD   PRO  74          3HD       PRO  74  -8.230   1.991  -4.815
   89    H    SER  75           HN       SER  75  -6.507  -1.777  -7.718
   90    HA   SER  75           HA       SER  75  -8.126  -2.189 -10.145
   91   1HB   SER  75          2HB       SER  75  -6.122  -2.364 -11.451
   92   2HB   SER  75          3HB       SER  75  -5.985  -0.891 -10.493
   93    HG   SER  75           HG       SER  75  -4.099  -2.351 -10.547
   94    H    HIS  76           HN       HIS  76  -5.800  -3.626  -7.892
   95    HA   HIS  76           HA       HIS  76  -6.180  -6.280  -8.944
   96   1HB   HIS  76          2HB       HIS  76  -4.408  -4.985  -7.024
   97   2HB   HIS  76          3HB       HIS  76  -4.972  -6.553  -6.456
   98    HD1  HIS  76           1HD      HIS  76  -2.982  -8.006  -6.840
   99    HD2  HIS  76           2HD      HIS  76  -3.911  -5.695 -10.166
  100    HE1  HIS  76           1HE      HIS  76  -1.456  -8.815  -8.668
  101    HE2  HIS  76           2HE      HIS  76  -1.981  -7.348 -10.649
  102    H    ASP  77           HN       ASP  77  -6.701  -8.074  -7.302
  103    HA   ASP  77           HA       ASP  77  -9.349  -7.582  -6.320
  104   1HB   ASP  77          2HB       ASP  77  -7.557 -10.015  -6.200
  105   2HB   ASP  77          3HB       ASP  77  -9.209  -9.990  -5.586
  106    H    GLY  78           HN       GLY  78 -10.087  -7.627  -4.195
  107   1HA   GLY  78          1HA       GLY  78  -9.999  -7.205  -1.937
  108   2HA   GLY  78          2HA       GLY  78  -8.549  -8.196  -1.927
  109    H    ASP  79           HN       ASP  79  -8.949  -5.189  -3.718
  110    HA   ASP  79           HA       ASP  79  -6.702  -4.081  -2.208
  111   1HB   ASP  79          2HB       ASP  79  -7.945  -3.313  -4.849
  112   2HB   ASP  79          3HB       ASP  79  -6.686  -2.366  -4.064
  113    H    LEU  80           HN       LEU  80  -6.734  -1.866  -1.535
  114    HA   LEU  80           HA       LEU  80  -9.437  -0.904  -0.873
  115   1HB   LEU  80          2HB       LEU  80  -8.566  -1.381   1.205
  116   2HB   LEU  80          3HB       LEU  80  -6.919  -1.056   0.713
  117    HG   LEU  80           HG       LEU  80  -7.620   1.413   0.664
  118   1HD1  LEU  80          1HD1      LEU  80  -9.465   1.634   2.572
  119   2HD1  LEU  80          2HD1      LEU  80  -9.873   1.595   0.856
  120   3HD1  LEU  80          3HD1      LEU  80 -10.020   0.132   1.829
  121   1HD2  LEU  80          1HD2      LEU  80  -7.179   1.656   3.043
  122   2HD2  LEU  80          2HD2      LEU  80  -7.534  -0.052   3.294
  123   3HD2  LEU  80          3HD2      LEU  80  -6.131   0.425   2.337
  124    H    GLY  81           HN       GLY  81  -9.985   1.039  -1.648
  125   1HA   GLY  81          1HA       GLY  81  -7.933   2.573  -3.051
  126   2HA   GLY  81          2HA       GLY  81  -9.662   2.790  -3.214
  127    H    PHE  82           HN       PHE  82  -7.387   4.654  -2.607
  128    HA   PHE  82           HA       PHE  82  -8.711   5.992  -0.375
  129   1HB   PHE  82          2HB       PHE  82  -6.307   6.634   0.403
  130   2HB   PHE  82          3HB       PHE  82  -6.988   5.085   0.873
  131    HD1  PHE  82           1HD      PHE  82  -4.256   6.730  -0.638
  132    HD2  PHE  82           2HD      PHE  82  -6.392   3.057  -0.622
  133    HE1  PHE  82           1HE      PHE  82  -2.300   5.596  -1.627
  134    HE2  PHE  82           2HE      PHE  82  -4.448   1.921  -1.616
  135    HZ   PHE  82           HZ       PHE  82  -2.401   3.189  -2.113
  136    H    GLU  83           HN       GLU  83  -7.547   8.236  -0.072
  137    HA   GLU  83           HA       GLU  83  -7.379   9.402  -2.767
  138   1HB   GLU  83          2HB       GLU  83  -8.724  10.168  -0.305
  139   2HB   GLU  83          3HB       GLU  83  -7.739  11.471  -0.948
  140   1HG   GLU  83          2HG       GLU  83  -9.053  10.495  -3.166
  141   2HG   GLU  83          3HG       GLU  83 -10.261  10.403  -1.884
  142    H    LYS  84           HN       LYS  84  -6.089  11.547  -2.736
  143    HA   LYS  84           HA       LYS  84  -3.411  10.908  -1.964
  144   1HB   LYS  84          2HB       LYS  84  -3.513  12.126  -3.939
  145   2HB   LYS  84          3HB       LYS  84  -4.747  13.208  -3.328
  146   1HG   LYS  84          2HG       LYS  84  -2.836  13.985  -1.711
  147   2HG   LYS  84          3HG       LYS  84  -1.792  13.277  -2.941
  148   1HD   LYS  84          2HD       LYS  84  -3.963  15.198  -3.687
  149   2HD   LYS  84          3HD       LYS  84  -2.400  15.781  -3.112
  150   1HE   LYS  84          2HE       LYS  84  -1.370  14.287  -4.898
  151   2HE   LYS  84          3HE       LYS  84  -2.997  14.143  -5.560
  152   1HZ   LYS  84          1HZ       LYS  84  -1.285  16.044  -6.272
  153   2HZ   LYS  84          2HZ       LYS  84  -2.088  16.846  -5.018
  154   3HZ   LYS  84          3HZ       LYS  84  -2.965  16.241  -6.331
  155    H    GLY  85           HN       GLY  85  -2.380  11.419  -0.133
  156   1HA   GLY  85          1HA       GLY  85  -1.870  12.590   1.827
  157   2HA   GLY  85          2HA       GLY  85  -3.251  13.648   1.525
  158    H    GLU  86           HN       GLU  86  -4.629  10.812   1.068
  159    HA   GLU  86           HA       GLU  86  -6.039  10.724   3.470
  160   1HB   GLU  86          2HB       GLU  86  -6.299   9.539   1.036
  161   2HB   GLU  86          3HB       GLU  86  -5.714   8.186   1.985
  162   1HG   GLU  86          2HG       GLU  86  -8.327   9.095   1.722
  163   2HG   GLU  86          3HG       GLU  86  -7.728   7.824   2.767
  164    H    GLN  87           HN       GLN  87  -6.079   8.815   4.954
  165    HA   GLN  87           HA       GLN  87  -3.348   7.840   5.439
  166   1HB   GLN  87          2HB       GLN  87  -5.300   8.414   7.648
  167   2HB   GLN  87          3HB       GLN  87  -3.577   8.110   7.772
  168   1HG   GLN  87          2HG       GLN  87  -3.018  10.224   7.297
  169   2HG   GLN  87          3HG       GLN  87  -4.325  10.422   6.136
  170   1HE2  GLN  87          1HE2      GLN  87  -4.477   9.467   9.529
  171   2HE2  GLN  87          2HE2      GLN  87  -5.443  10.801  10.049
  172    H    LEU  88           HN       LEU  88  -3.104   5.832   6.271
  173    HA   LEU  88           HA       LEU  88  -5.427   4.113   6.646
  174   1HB   LEU  88          2HB       LEU  88  -3.314   2.989   4.902
  175   2HB   LEU  88          3HB       LEU  88  -5.025   2.629   4.961
  176    HG   LEU  88           HG       LEU  88  -4.463   5.316   3.957
  177   1HD1  LEU  88          1HD1      LEU  88  -3.798   3.239   1.978
  178   2HD1  LEU  88          2HD1      LEU  88  -3.185   4.884   2.154
  179   3HD1  LEU  88          3HD1      LEU  88  -2.559   3.595   3.185
  180   1HD2  LEU  88          1HD2      LEU  88  -6.618   3.934   3.940
  181   2HD2  LEU  88          2HD2      LEU  88  -6.175   4.793   2.462
  182   3HD2  LEU  88          3HD2      LEU  88  -5.879   3.056   2.594
  183    H    ARG  89           HN       ARG  89  -5.084   2.794   8.279
  184    HA   ARG  89           HA       ARG  89  -2.493   2.707   9.506
  185   1HB   ARG  89          2HB       ARG  89  -4.317   2.867  11.004
  186   2HB   ARG  89          3HB       ARG  89  -5.193   1.568  10.204
  187   1HG   ARG  89          2HG       ARG  89  -3.616  -0.042  10.995
  188   2HG   ARG  89          3HG       ARG  89  -2.614   1.229  11.680
  189   1HD   ARG  89          2HD       ARG  89  -4.708   1.872  13.006
  190   2HD   ARG  89          3HD       ARG  89  -5.301   0.275  12.584
  191    HE   ARG  89           HE       ARG  89  -2.666   0.335  13.769
  192   1HH1  ARG  89          2HH1      ARG  89  -6.098   0.063  14.355
  193   2HH1  ARG  89          1HH1      ARG  89  -5.901  -0.729  15.882
  194   1HH2  ARG  89          2HH2      ARG  89  -2.407  -0.706  15.780
  195   2HH2  ARG  89          1HH2      ARG  89  -3.807  -1.165  16.691
  196    H    ILE  90           HN       ILE  90  -1.071   1.514   8.469
  197    HA   ILE  90           HA       ILE  90  -1.574  -0.655   6.813
  198    HB   ILE  90           HB       ILE  90   1.002  -0.181   8.312
  199   1HG1  ILE  90          2HG1      ILE  90   0.231   1.858   7.171
  200   2HG1  ILE  90          3HG1      ILE  90   1.679   1.213   6.428
  201   1HG2  ILE  90          1HG2      ILE  90   1.050  -1.142   5.550
  202   2HG2  ILE  90          2HG2      ILE  90   1.969  -1.680   6.958
  203   3HG2  ILE  90          3HG2      ILE  90   0.324  -2.266   6.701
  204   1HD1  ILE  90          1HD1      ILE  90  -0.867   1.768   5.262
  205   2HD1  ILE  90          2HD1      ILE  90   0.640   1.290   4.481
  206   3HD1  ILE  90          3HD1      ILE  90  -0.479   0.059   5.067
  207    H    LEU  91           HN       LEU  91  -2.448  -2.471   7.299
  208    HA   LEU  91           HA       LEU  91  -2.295  -3.670   9.917
  209   1HB   LEU  91          2HB       LEU  91  -3.368  -4.879   7.372
  210   2HB   LEU  91          3HB       LEU  91  -3.793  -5.306   9.017
  211    HG   LEU  91           HG       LEU  91  -4.444  -2.698   7.644
  212   1HD1  LEU  91          1HD1      LEU  91  -5.869  -4.225   6.663
  213   2HD1  LEU  91          2HD1      LEU  91  -6.067  -5.154   8.150
  214   3HD1  LEU  91          3HD1      LEU  91  -6.826  -3.566   7.991
  215   1HD2  LEU  91          1HD2      LEU  91  -4.494  -3.516  10.434
  216   2HD2  LEU  91          2HD2      LEU  91  -4.614  -1.907   9.723
  217   3HD2  LEU  91          3HD2      LEU  91  -6.052  -2.918   9.866
  218    H    GLU  92           HN       GLU  92  -1.202  -4.331   6.651
  219    HA   GLU  92           HA       GLU  92   1.070  -5.812   7.693
  220   1HB   GLU  92          2HB       GLU  92  -1.153  -7.085   6.450
  221   2HB   GLU  92          3HB       GLU  92   0.221  -7.181   5.355
  222   1HG   GLU  92          2HG       GLU  92   1.016  -8.862   6.539
  223   2HG   GLU  92          3HG       GLU  92   1.216  -7.754   7.901
  224    H    GLN  93           HN       GLN  93   2.905  -5.467   6.549
  225    HA   GLN  93           HA       GLN  93   2.642  -3.940   4.066
  226   1HB   GLN  93          2HB       GLN  93   4.890  -2.910   4.902
  227   2HB   GLN  93          3HB       GLN  93   3.357  -2.281   5.477
  228   1HG   GLN  93          2HG       GLN  93   3.579  -3.838   7.410
  229   2HG   GLN  93          3HG       GLN  93   5.202  -4.149   6.841
  230   1HE2  GLN  93          1HE2      GLN  93   6.404  -3.251   8.422
  231   2HE2  GLN  93          2HE2      GLN  93   6.339  -1.583   8.870
  232    H    SER  94           HN       SER  94   2.948  -6.736   4.261
  233    HA   SER  94           HA       SER  94   5.736  -7.218   3.526
  234   1HB   SER  94          2HB       SER  94   4.254  -9.602   3.275
  235   2HB   SER  94          3HB       SER  94   5.366  -9.169   4.572
  236    HG   SER  94           HG       SER  94   3.704  -8.521   5.804
  237    H    GLY  95           HN       GLY  95   6.340  -7.218   1.468
  238   1HA   GLY  95          1HA       GLY  95   6.197  -7.801  -0.813
  239   2HA   GLY  95          2HA       GLY  95   4.487  -8.123  -0.594
  240    H    GLU  96           HN       GLU  96   5.528  -6.756  -2.745
  241    HA   GLU  96           HA       GLU  96   5.654  -4.020  -2.697
  242   1HB   GLU  96          2HB       GLU  96   6.050  -4.736  -4.797
  243   2HB   GLU  96          3HB       GLU  96   4.906  -6.065  -4.660
  244   1HG   GLU  96          2HG       GLU  96   3.089  -4.642  -5.064
  245   2HG   GLU  96          3HG       GLU  96   4.115  -3.211  -5.019
  246    H    TRP  97           HN       TRP  97   2.895  -5.983  -2.027
  247    HA   TRP  97           HA       TRP  97   1.169  -3.604  -2.135
  248   1HB   TRP  97          2HB       TRP  97   0.592  -6.533  -2.469
  249   2HB   TRP  97          3HB       TRP  97  -0.683  -5.406  -2.022
  250    HD1  TRP  97           1HD      TRP  97   1.611  -6.323  -4.942
  251    HE1  TRP  97           1HE      TRP  97   0.716  -5.203  -7.079
  252    HE3  TRP  97           3HE      TRP  97  -2.059  -3.438  -2.867
  253    HZ2  TRP  97           2HZ      TRP  97  -1.283  -3.337  -7.789
  254    HZ3  TRP  97           3HZ      TRP  97  -3.415  -2.014  -4.339
  255    HH2  TRP  97           2HH      TRP  97  -3.032  -1.960  -6.748
  256    H    TRP  98           HN       TRP  98   0.701  -2.722  -0.231
  257    HA   TRP  98           HA       TRP  98   1.031  -4.335   2.190
  258   1HB   TRP  98          2HB       TRP  98   0.981  -1.359   1.737
  259   2HB   TRP  98          3HB       TRP  98   0.946  -2.086   3.335
  260    HD1  TRP  98           1HD      TRP  98   3.128  -4.193   1.310
  261    HE1  TRP  98           1HE      TRP  98   5.605  -3.619   1.722
  262    HE3  TRP  98           3HE      TRP  98   2.515   0.252   3.705
  263    HZ2  TRP  98           2HZ      TRP  98   7.101  -1.522   2.902
  264    HZ3  TRP  98           3HZ      TRP  98   4.504   1.500   4.442
  265    HH2  TRP  98           2HH      TRP  98   6.755   0.624   4.052
  266    H    LYS  99           HN       LYS  99  -0.543  -4.682   3.628
  267    HA   LYS  99           HA       LYS  99  -3.271  -4.087   2.841
  268   1HB   LYS  99          2HB       LYS  99  -2.798  -6.321   3.692
  269   2HB   LYS  99          3HB       LYS  99  -2.114  -5.646   5.161
  270   1HG   LYS  99          2HG       LYS  99  -4.503  -6.604   5.223
  271   2HG   LYS  99          3HG       LYS  99  -4.175  -5.064   6.023
  272   1HD   LYS  99          2HD       LYS  99  -5.191  -3.835   4.362
  273   2HD   LYS  99          3HD       LYS  99  -5.114  -5.150   3.189
  274   1HE   LYS  99          2HE       LYS  99  -6.611  -6.016   5.460
  275   2HE   LYS  99          3HE       LYS  99  -7.238  -4.461   4.923
  276   1HZ   LYS  99          1HZ       LYS  99  -7.428  -7.038   3.674
  277   2HZ   LYS  99          2HZ       LYS  99  -6.909  -5.831   2.608
  278   3HZ   LYS  99          3HZ       LYS  99  -8.372  -5.653   3.440
  279    H    ALA 100           HN       ALA 100  -4.119  -2.163   3.413
  280    HA   ALA 100           HA       ALA 100  -3.273  -1.024   5.999
  281   1HB   ALA 100          1HB       ALA 100  -3.075   1.062   5.129
  282   2HB   ALA 100          2HB       ALA 100  -2.672   0.127   3.687
  283   3HB   ALA 100          3HB       ALA 100  -4.299   0.788   3.887
  284    H    GLN 101           HN       GLN 101  -4.786  -0.135   7.328
  285    HA   GLN 101           HA       GLN 101  -7.576  -0.617   6.538
  286   1HB   GLN 101          2HB       GLN 101  -7.056  -1.867   8.515
  287   2HB   GLN 101          3HB       GLN 101  -6.292  -0.485   9.275
  288   1HG   GLN 101          2HG       GLN 101  -8.567   0.598   9.108
  289   2HG   GLN 101          3HG       GLN 101  -9.202  -0.994   8.776
  290   1HE2  GLN 101          1HE2      GLN 101  -7.722   1.080  11.137
  291   2HE2  GLN 101          2HE2      GLN 101  -8.036   0.086  12.513
  292    H    SER 102           HN       SER 102  -8.476   1.173   5.822
  293    HA   SER 102           HA       SER 102  -7.517   3.736   6.038
  294   1HB   SER 102          2HB       SER 102  -9.923   2.420   5.147
  295   2HB   SER 102          3HB       SER 102 -10.298   3.942   5.912
  296    HG   SER 102           HG       SER 102  -9.330   3.548   3.490
  297    H    LEU 103           HN       LEU 103  -8.568   5.586   7.220
  298    HA   LEU 103           HA       LEU 103  -9.314   4.718   9.936
  299   1HB   LEU 103          2HB       LEU 103  -7.396   6.843   9.071
  300   2HB   LEU 103          3HB       LEU 103  -8.121   6.845  10.665
  301    HG   LEU 103           HG       LEU 103  -7.240   4.278  10.515
  302   1HD1  LEU 103          1HD1      LEU 103  -6.152   4.424   8.457
  303   2HD1  LEU 103          2HD1      LEU 103  -5.423   5.980   8.856
  304   3HD1  LEU 103          3HD1      LEU 103  -4.869   4.515   9.667
  305   1HD2  LEU 103          1HD2      LEU 103  -6.857   6.149  12.259
  306   2HD2  LEU 103          2HD2      LEU 103  -5.690   4.829  12.130
  307   3HD2  LEU 103          3HD2      LEU 103  -5.334   6.400  11.405
  308    H    THR 104           HN       THR 104  -9.969   6.844   7.310
  309    HA   THR 104           HA       THR 104 -11.755   8.531   8.834
  310    HB   THR 104           HB       THR 104 -11.687   8.356   5.838
  311    HG1  THR 104           1HG      THR 104  -9.781   9.690   7.461
  312   1HG2  THR 104          1HG2      THR 104 -13.239   9.915   6.559
  313   2HG2  THR 104          2HG2      THR 104 -11.806  10.862   6.152
  314   3HG2  THR 104          3HG2      THR 104 -12.179  10.506   7.839
  315    H    THR 105           HN       THR 105 -11.840   5.923   6.543
  316    HA   THR 105           HA       THR 105 -14.738   5.545   6.886
  317    HB   THR 105           HB       THR 105 -14.786   4.742   4.757
  318    HG1  THR 105           1HG      THR 105 -12.055   4.048   4.883
  319   1HG2  THR 105          1HG2      THR 105 -13.942   6.983   4.474
  320   2HG2  THR 105          2HG2      THR 105 -13.267   5.914   3.243
  321   3HG2  THR 105          3HG2      THR 105 -12.289   6.388   4.634
  322    H    GLY 106           HN       GLY 106 -11.615   4.128   6.966
  323   1HA   GLY 106          1HA       GLY 106 -10.735   2.457   8.196
  324   2HA   GLY 106          2HA       GLY 106 -12.322   2.072   8.802
  325    H    GLN 107           HN       GLN 107 -12.619   2.221   5.526
  326    HA   GLN 107           HA       GLN 107 -13.105  -0.424   5.110
  327   1HB   GLN 107          2HB       GLN 107 -12.431   1.866   3.388
  328   2HB   GLN 107          3HB       GLN 107 -12.452   0.270   2.661
  329   1HG   GLN 107          2HG       GLN 107 -14.630   0.603   2.406
  330   2HG   GLN 107          3HG       GLN 107 -14.725   0.276   4.135
  331   1HE2  GLN 107          1HE2      GLN 107 -13.977   2.983   1.961
  332   2HE2  GLN 107          2HE2      GLN 107 -14.892   4.160   2.835
  333    H    GLU 108           HN       GLU 108 -11.909  -2.152   5.080
  334    HA   GLU 108           HA       GLU 108  -9.010  -1.883   5.030
  335   1HB   GLU 108          2HB       GLU 108 -10.824  -4.194   5.667
  336   2HB   GLU 108          3HB       GLU 108  -9.086  -4.351   5.583
  337   1HG   GLU 108          2HG       GLU 108  -8.861  -3.593   7.634
  338   2HG   GLU 108          3HG       GLU 108  -9.770  -2.135   7.250
  339    H    GLY 109           HN       GLY 109  -7.642  -3.009   3.658
  340   1HA   GLY 109          1HA       GLY 109  -8.291  -4.792   1.657
  341   2HA   GLY 109          2HA       GLY 109  -8.540  -3.200   0.958
  342    H    PHE 110           HN       PHE 110  -6.752  -4.502  -0.350
  343    HA   PHE 110           HA       PHE 110  -4.105  -4.131   0.773
  344   1HB   PHE 110          2HB       PHE 110  -5.301  -5.641  -1.456
  345   2HB   PHE 110          3HB       PHE 110  -3.705  -4.991  -1.773
  346    HD1  PHE 110           1HD      PHE 110  -2.146  -6.676  -1.602
  347    HD2  PHE 110           2HD      PHE 110  -5.278  -6.448   1.273
  348    HE1  PHE 110           1HE      PHE 110  -1.144  -8.555  -0.368
  349    HE2  PHE 110           2HE      PHE 110  -4.280  -8.325   2.513
  350    HZ   PHE 110           HZ       PHE 110  -2.211  -9.381   1.693
  351    H    ILE 111           HN       ILE 111  -2.630  -2.637   0.084
  352    HA   ILE 111           HA       ILE 111  -3.460  -0.809  -2.067
  353    HB   ILE 111           HB       ILE 111  -2.646   1.114  -0.800
  354   1HG1  ILE 111          2HG1      ILE 111  -2.553  -0.469   1.729
  355   2HG1  ILE 111          3HG1      ILE 111  -1.176  -0.555   0.643
  356   1HG2  ILE 111          1HG2      ILE 111  -5.038   0.245  -0.681
  357   2HG2  ILE 111          2HG2      ILE 111  -4.628  -0.302   0.947
  358   3HG2  ILE 111          3HG2      ILE 111  -4.529   1.413   0.537
  359   1HD1  ILE 111          1HD1      ILE 111  -1.522   1.303   2.586
  360   2HD1  ILE 111          2HD1      ILE 111  -0.470   1.481   1.182
  361   3HD1  ILE 111          3HD1      ILE 111  -2.096   2.161   1.156
  362    HA   PRO 112           HA       PRO 112   0.539  -1.269  -3.790
  363   1HB   PRO 112          2HB       PRO 112   0.863   1.373  -4.617
  364   2HB   PRO 112          3HB       PRO 112   0.065   0.098  -5.542
  365   1HG   PRO 112          2HG       PRO 112  -1.128   2.240  -3.863
  366   2HG   PRO 112          3HG       PRO 112  -1.732   1.512  -5.350
  367   1HD   PRO 112          2HD       PRO 112  -2.741   0.912  -2.941
  368   2HD   PRO 112          3HD       PRO 112  -2.655  -0.271  -4.253
  369    H    PHE 113           HN       PHE 113   2.316  -1.452  -2.545
  370    HA   PHE 113           HA       PHE 113   2.800   0.022  -0.234
  371   1HB   PHE 113          2HB       PHE 113   4.785  -1.173  -0.015
  372   2HB   PHE 113          3HB       PHE 113   3.784  -2.243  -0.990
  373    HD1  PHE 113           1HD      PHE 113   4.086  -0.936  -3.654
  374    HD2  PHE 113           2HD      PHE 113   6.944  -1.776  -0.616
  375    HE1  PHE 113           1HE      PHE 113   5.863  -1.016  -5.353
  376    HE2  PHE 113           2HE      PHE 113   8.726  -1.860  -2.309
  377    HZ   PHE 113           HZ       PHE 113   8.187  -1.479  -4.682
  378    H    ASN 114           HN       ASN 114   3.396   0.910  -3.499
  379    HA   ASN 114           HA       ASN 114   5.272   3.006  -2.662
  380   1HB   ASN 114          2HB       ASN 114   5.547   3.311  -5.175
  381   2HB   ASN 114          3HB       ASN 114   6.155   1.803  -4.501
  382   1HD2  ASN 114          1HD2      ASN 114   4.198   3.212  -6.828
  383   2HD2  ASN 114          2HD2      ASN 114   3.386   1.790  -7.378
  384    H    PHE 115           HN       PHE 115   2.490   3.185  -2.012
  385    HA   PHE 115           HA       PHE 115   1.700   5.511  -3.649
  386   1HB   PHE 115          2HB       PHE 115   0.318   3.136  -3.296
  387   2HB   PHE 115          3HB       PHE 115  -0.453   4.227  -2.159
  388    HD1  PHE 115           1HD      PHE 115  -1.293   6.472  -3.070
  389    HD2  PHE 115           2HD      PHE 115  -0.239   3.174  -5.540
  390    HE1  PHE 115           1HE      PHE 115  -2.676   7.385  -4.879
  391    HE2  PHE 115           2HE      PHE 115  -1.618   4.084  -7.352
  392    HZ   PHE 115           HZ       PHE 115  -2.838   6.199  -7.030
  393    H    VAL 116           HN       VAL 116   2.006   4.136  -0.442
  394    HA   VAL 116           HA       VAL 116   1.101   6.679   0.719
  395    HB   VAL 116           HB       VAL 116   0.738   5.433   2.804
  396   1HG1  VAL 116          1HG1      VAL 116  -0.634   4.665   0.275
  397   2HG1  VAL 116          2HG1      VAL 116  -1.100   3.888   1.788
  398   3HG1  VAL 116          3HG1      VAL 116  -1.218   5.639   1.624
  399   1HG2  VAL 116          1HG2      VAL 116   2.083   3.311   1.283
  400   2HG2  VAL 116          2HG2      VAL 116   1.964   3.552   3.026
  401   3HG2  VAL 116          3HG2      VAL 116   0.638   2.790   2.149
  402    H    ALA 117           HN       ALA 117   2.201   7.687   2.335
  403    HA   ALA 117           HA       ALA 117   4.891   6.729   3.005
  404   1HB   ALA 117          1HB       ALA 117   5.209   9.459   2.927
  405   2HB   ALA 117          2HB       ALA 117   5.750   8.330   1.686
  406   3HB   ALA 117          3HB       ALA 117   4.197   9.147   1.517
  407    H    LYS 118           HN       LYS 118   5.495   7.151   5.119
  408    HA   LYS 118           HA       LYS 118   3.724   7.251   7.134
  409   1HB   LYS 118          2HB       LYS 118   6.458   8.535   7.111
  410   2HB   LYS 118          3HB       LYS 118   5.524   8.226   8.568
  411   1HG   LYS 118          2HG       LYS 118   6.724   6.230   6.674
  412   2HG   LYS 118          3HG       LYS 118   7.068   6.461   8.390
  413   1HD   LYS 118          2HD       LYS 118   4.780   5.741   8.925
  414   2HD   LYS 118          3HD       LYS 118   4.476   5.473   7.209
  415   1HE   LYS 118          2HE       LYS 118   6.650   4.093   8.776
  416   2HE   LYS 118          3HE       LYS 118   5.049   3.408   8.503
  417   1HZ   LYS 118          1HZ       LYS 118   6.424   4.320   6.122
  418   2HZ   LYS 118          2HZ       LYS 118   5.536   2.904   6.386
  419   3HZ   LYS 118          3HZ       LYS 118   7.145   3.002   6.900
  420    H    ALA 119           HN       ALA 119   2.538   8.676   8.285
  421    HA   ALA 119           HA       ALA 119   1.865  11.173   7.099
  422   1HB   ALA 119          1HB       ALA 119   0.677  11.452   9.437
  423   2HB   ALA 119          2HB       ALA 119   0.056  10.327   8.231
  424   3HB   ALA 119          3HB       ALA 119   1.035   9.732   9.576
  425    H    ASN 120           HN       ASN 120   4.454  11.519   7.313
  426    HA   ASN 120           HA       ASN 120   4.758  13.417   9.539
  427   1HB   ASN 120          2HB       ASN 120   6.746  11.376   8.555
  428   2HB   ASN 120          3HB       ASN 120   7.235  12.785   9.490
  429   1HD2  ASN 120          1HD2      ASN 120   7.401   9.940  10.133
  430   2HD2  ASN 120          2HD2      ASN 120   6.545   9.739  11.619
  Start of MODEL   17
    1    H    ASN  64           HN       ASN  64   0.846   2.855  12.892
    2    HA   ASN  64           HA       ASN  64   3.234   2.369  11.474
    3   1HB   ASN  64          2HB       ASN  64   1.328   0.077  11.740
    4   2HB   ASN  64          3HB       ASN  64   2.091   0.347  10.180
    5   1HD2  ASN  64          1HD2      ASN  64   2.505  -1.958  11.608
    6   2HD2  ASN  64          2HD2      ASN  64   4.147  -2.011  12.142
    7    H    LEU  65           HN       LEU  65   1.032   4.241  11.701
    8    HA   LEU  65           HA       LEU  65  -0.565   3.918   9.352
    9   1HB   LEU  65          2HB       LEU  65  -1.633   5.003  11.111
   10   2HB   LEU  65          3HB       LEU  65  -0.312   6.113  11.372
   11    HG   LEU  65           HG       LEU  65  -0.836   7.184   9.241
   12   1HD1  LEU  65          1HD1      LEU  65  -2.401   4.835   8.891
   13   2HD1  LEU  65          2HD1      LEU  65  -3.432   6.257   8.737
   14   3HD1  LEU  65          3HD1      LEU  65  -2.001   6.092   7.718
   15   1HD2  LEU  65          1HD2      LEU  65  -1.805   8.127  11.235
   16   2HD2  LEU  65          2HD2      LEU  65  -2.987   8.210   9.927
   17   3HD2  LEU  65          3HD2      LEU  65  -3.135   6.970  11.174
   18    H    VAL  66           HN       VAL  66  -0.515   4.949   7.525
   19    HA   VAL  66           HA       VAL  66   1.830   6.612   6.887
   20    HB   VAL  66           HB       VAL  66   1.513   5.658   4.556
   21   1HG1  VAL  66          1HG1      VAL  66   2.559   3.975   6.814
   22   2HG1  VAL  66          2HG1      VAL  66   2.858   3.625   5.111
   23   3HG1  VAL  66          3HG1      VAL  66   3.461   5.122   5.823
   24   1HG2  VAL  66          1HG2      VAL  66  -0.619   4.602   4.806
   25   2HG2  VAL  66          2HG2      VAL  66   0.587   3.353   4.501
   26   3HG2  VAL  66          3HG2      VAL  66  -0.019   3.612   6.136
   27    H    ILE  67           HN       ILE  67   1.349   7.531   4.517
   28    HA   ILE  67           HA       ILE  67  -1.383   8.452   4.293
   29    HB   ILE  67           HB       ILE  67   0.709  10.134   5.373
   30   1HG1  ILE  67          2HG1      ILE  67  -2.243  10.347   4.879
   31   2HG1  ILE  67          3HG1      ILE  67  -1.437   9.941   6.365
   32   1HG2  ILE  67          1HG2      ILE  67   1.086  10.924   3.124
   33   2HG2  ILE  67          2HG2      ILE  67  -0.648  11.111   2.860
   34   3HG2  ILE  67          3HG2      ILE  67   0.185  12.149   4.017
   35   1HD1  ILE  67          1HD1      ILE  67  -2.344  12.446   5.513
   36   2HD1  ILE  67          2HD1      ILE  67  -1.443  12.062   6.981
   37   3HD1  ILE  67          3HD1      ILE  67  -0.581  12.522   5.513
   38    H    ALA  68           HN       ALA  68  -2.008   8.416   2.294
   39    HA   ALA  68           HA       ALA  68  -0.364   7.582   0.190
   40   1HB   ALA  68          1HB       ALA  68  -2.312   7.221  -0.799
   41   2HB   ALA  68          2HB       ALA  68  -3.103   7.965   0.590
   42   3HB   ALA  68          3HB       ALA  68  -2.683   8.944  -0.814
   43    H    LEU  69           HN       LEU  69   0.300   8.614  -1.709
   44    HA   LEU  69           HA       LEU  69   0.668  11.530  -1.468
   45   1HB   LEU  69          2HB       LEU  69   2.516   9.422  -2.575
   46   2HB   LEU  69          3HB       LEU  69   2.763  11.142  -2.822
   47    HG   LEU  69           HG       LEU  69   2.726   9.756  -0.137
   48   1HD1  LEU  69          1HD1      LEU  69   4.767   9.119  -1.008
   49   2HD1  LEU  69          2HD1      LEU  69   4.929  10.584  -1.981
   50   3HD1  LEU  69          3HD1      LEU  69   5.178  10.650  -0.237
   51   1HD2  LEU  69          1HD2      LEU  69   1.908  12.015   0.050
   52   2HD2  LEU  69          2HD2      LEU  69   3.551  11.940   0.687
   53   3HD2  LEU  69          3HD2      LEU  69   3.256  12.621  -0.912
   54    H    HIS  70           HN       HIS  70  -1.163   9.430  -3.025
   55    HA   HIS  70           HA       HIS  70  -1.594  11.121  -5.282
   56   1HB   HIS  70          2HB       HIS  70  -1.182   8.650  -6.591
   57   2HB   HIS  70          3HB       HIS  70  -0.270  10.137  -6.799
   58    HD1  HIS  70           1HD      HIS  70   2.014   9.103  -7.085
   59    HD2  HIS  70           2HD      HIS  70   0.113   7.841  -3.619
   60    HE1  HIS  70           1HE      HIS  70   3.763   7.864  -5.777
   61    HE2  HIS  70           2HE      HIS  70   2.634   7.272  -3.606
   62    H    SER  71           HN       SER  71  -3.599  10.776  -6.204
   63    HA   SER  71           HA       SER  71  -5.548   9.457  -4.710
   64   1HB   SER  71          2HB       SER  71  -6.062   9.765  -7.617
   65   2HB   SER  71          3HB       SER  71  -7.043  10.262  -6.240
   66    HG   SER  71           HG       SER  71  -5.566  11.991  -5.925
   67    H    TYR  72           HN       TYR  72  -6.067   7.380  -4.514
   68    HA   TYR  72           HA       TYR  72  -4.949   5.497  -6.475
   69   1HB   TYR  72          2HB       TYR  72  -4.354   5.225  -4.047
   70   2HB   TYR  72          3HB       TYR  72  -6.037   4.829  -3.745
   71    HD1  TYR  72           1HD      TYR  72  -3.706   3.817  -6.485
   72    HD2  TYR  72           2HD      TYR  72  -6.180   2.578  -3.256
   73    HE1  TYR  72           1HE      TYR  72  -3.282   1.470  -7.068
   74    HE2  TYR  72           2HE      TYR  72  -5.752   0.228  -3.825
   75    HH   TYR  72           HH       TYR  72  -5.103  -1.058  -5.927
   76    H    GLU  73           HN       GLU  73  -6.118   3.868  -7.390
   77    HA   GLU  73           HA       GLU  73  -9.003   3.818  -6.989
   78   1HB   GLU  73          2HB       GLU  73  -7.661   4.845  -9.259
   79   2HB   GLU  73          3HB       GLU  73  -8.493   3.378  -9.732
   80   1HG   GLU  73          2HG       GLU  73 -10.585   4.247  -9.058
   81   2HG   GLU  73          3HG       GLU  73  -9.818   5.595  -8.219
   82    HA   PRO  74           HA       PRO  74  -7.438  -0.405  -6.191
   83   1HB   PRO  74          2HB       PRO  74 -10.250  -1.071  -6.178
   84   2HB   PRO  74          3HB       PRO  74  -9.118  -1.027  -4.828
   85   1HG   PRO  74          2HG       PRO  74 -11.045   1.010  -5.712
   86   2HG   PRO  74          3HG       PRO  74 -10.278   0.795  -4.130
   87   1HD   PRO  74          2HD       PRO  74  -9.612   2.832  -5.782
   88   2HD   PRO  74          3HD       PRO  74  -8.416   2.034  -4.733
   89    H    SER  75           HN       SER  75  -6.866  -1.823  -7.673
   90    HA   SER  75           HA       SER  75  -8.598  -2.229 -10.018
   91   1HB   SER  75          2HB       SER  75  -5.614  -2.497 -10.214
   92   2HB   SER  75          3HB       SER  75  -6.788  -2.189 -11.492
   93    HG   SER  75           HG       SER  75  -6.020  -0.222 -11.194
   94    H    HIS  76           HN       HIS  76  -6.117  -3.607  -7.899
   95    HA   HIS  76           HA       HIS  76  -6.497  -6.274  -8.919
   96   1HB   HIS  76          2HB       HIS  76  -4.715  -4.955  -6.969
   97   2HB   HIS  76          3HB       HIS  76  -5.142  -6.616  -6.573
   98    HD1  HIS  76           1HD      HIS  76  -3.282  -8.064  -7.293
   99    HD2  HIS  76           2HD      HIS  76  -4.051  -5.058 -10.056
  100    HE1  HIS  76           1HE      HIS  76  -1.701  -8.486  -9.201
  101    HE2  HIS  76           2HE      HIS  76  -2.116  -6.598 -10.818
  102    H    ASP  77           HN       ASP  77  -7.245  -8.070  -7.630
  103    HA   ASP  77           HA       ASP  77  -9.701  -7.525  -6.325
  104   1HB   ASP  77          2HB       ASP  77  -9.754  -9.953  -5.872
  105   2HB   ASP  77          3HB       ASP  77  -9.352  -9.604  -7.552
  106    H    GLY  78           HN       GLY  78 -10.170  -7.193  -4.237
  107   1HA   GLY  78          1HA       GLY  78  -9.942  -7.199  -1.931
  108   2HA   GLY  78          2HA       GLY  78  -8.492  -8.174  -2.116
  109    H    ASP  79           HN       ASP  79  -9.005  -5.072  -3.691
  110    HA   ASP  79           HA       ASP  79  -6.731  -4.025  -2.163
  111   1HB   ASP  79          2HB       ASP  79  -7.889  -3.193  -4.822
  112   2HB   ASP  79          3HB       ASP  79  -6.608  -2.312  -3.995
  113    H    LEU  80           HN       LEU  80  -6.759  -1.861  -1.421
  114    HA   LEU  80           HA       LEU  80  -9.457  -0.891  -0.769
  115   1HB   LEU  80          2HB       LEU  80  -8.514  -1.319   1.288
  116   2HB   LEU  80          3HB       LEU  80  -6.889  -0.976   0.739
  117    HG   LEU  80           HG       LEU  80  -7.533   1.465   0.712
  118   1HD1  LEU  80          1HD1      LEU  80  -9.776   1.748   0.778
  119   2HD1  LEU  80          2HD1      LEU  80 -10.045   0.269   1.701
  120   3HD1  LEU  80          3HD1      LEU  80  -9.492   1.731   2.521
  121   1HD2  LEU  80          1HD2      LEU  80  -7.296   1.705   3.149
  122   2HD2  LEU  80          2HD2      LEU  80  -7.609  -0.020   3.332
  123   3HD2  LEU  80          3HD2      LEU  80  -6.166   0.529   2.479
  124    H    GLY  81           HN       GLY  81 -10.048   1.097  -1.430
  125   1HA   GLY  81          1HA       GLY  81  -8.093   2.613  -2.988
  126   2HA   GLY  81          2HA       GLY  81  -9.831   2.826  -3.042
  127    H    PHE  82           HN       PHE  82  -7.555   4.707  -2.621
  128    HA   PHE  82           HA       PHE  82  -8.741   6.121  -0.377
  129   1HB   PHE  82          2HB       PHE  82  -6.294   6.671   0.360
  130   2HB   PHE  82          3HB       PHE  82  -7.059   5.183   0.896
  131    HD1  PHE  82           1HD      PHE  82  -4.191   6.577  -0.566
  132    HD2  PHE  82           2HD      PHE  82  -6.634   3.097  -0.640
  133    HE1  PHE  82           1HE      PHE  82  -2.312   5.281  -1.510
  134    HE2  PHE  82           2HE      PHE  82  -4.770   1.807  -1.590
  135    HZ   PHE  82           HZ       PHE  82  -2.607   2.895  -2.019
  136    H    GLU  83           HN       GLU  83  -7.498   8.319  -0.144
  137    HA   GLU  83           HA       GLU  83  -7.249   9.393  -2.874
  138   1HB   GLU  83          2HB       GLU  83  -8.627  10.276  -0.468
  139   2HB   GLU  83          3HB       GLU  83  -7.598  11.530  -1.137
  140   1HG   GLU  83          2HG       GLU  83  -8.889  10.509  -3.346
  141   2HG   GLU  83          3HG       GLU  83 -10.123  10.485  -2.089
  142    H    LYS  84           HN       LYS  84  -5.880  11.482  -2.908
  143    HA   LYS  84           HA       LYS  84  -3.251  10.795  -2.035
  144   1HB   LYS  84          2HB       LYS  84  -3.284  11.982  -4.043
  145   2HB   LYS  84          3HB       LYS  84  -4.462  13.141  -3.454
  146   1HG   LYS  84          2HG       LYS  84  -2.532  13.824  -1.821
  147   2HG   LYS  84          3HG       LYS  84  -1.511  13.043  -3.026
  148   1HD   LYS  84          2HD       LYS  84  -3.556  15.085  -3.813
  149   2HD   LYS  84          3HD       LYS  84  -1.962  15.572  -3.238
  150   1HE   LYS  84          2HE       LYS  84  -1.330  13.658  -5.073
  151   2HE   LYS  84          3HE       LYS  84  -2.764  14.385  -5.795
  152   1HZ   LYS  84          1HZ       LYS  84  -0.799  16.252  -4.764
  153   2HZ   LYS  84          2HZ       LYS  84  -1.695  16.304  -6.198
  154   3HZ   LYS  84          3HZ       LYS  84  -0.302  15.348  -6.105
  155    H    GLY  85           HN       GLY  85  -2.302  11.261  -0.164
  156   1HA   GLY  85          1HA       GLY  85  -1.788  12.513   1.758
  157   2HA   GLY  85          2HA       GLY  85  -3.182  13.544   1.430
  158    H    GLU  86           HN       GLU  86  -4.665  10.843   0.986
  159    HA   GLU  86           HA       GLU  86  -6.038  10.711   3.382
  160   1HB   GLU  86          2HB       GLU  86  -6.302   9.535   0.953
  161   2HB   GLU  86          3HB       GLU  86  -5.712   8.176   1.891
  162   1HG   GLU  86          2HG       GLU  86  -8.329   9.076   1.641
  163   2HG   GLU  86          3HG       GLU  86  -7.722   7.805   2.678
  164    H    GLN  87           HN       GLN  87  -6.097   8.798   4.867
  165    HA   GLN  87           HA       GLN  87  -3.372   7.821   5.375
  166   1HB   GLN  87          2HB       GLN  87  -5.330   8.380   7.579
  167   2HB   GLN  87          3HB       GLN  87  -3.600   8.116   7.697
  168   1HG   GLN  87          2HG       GLN  87  -3.099  10.246   7.249
  169   2HG   GLN  87          3HG       GLN  87  -4.376  10.402   6.048
  170   1HE2  GLN  87          1HE2      GLN  87  -4.077   9.907   9.551
  171   2HE2  GLN  87          2HE2      GLN  87  -5.293  11.052   9.989
  172    H    LEU  88           HN       LEU  88  -3.126   5.815   6.153
  173    HA   LEU  88           HA       LEU  88  -5.444   4.089   6.552
  174   1HB   LEU  88          2HB       LEU  88  -3.314   2.975   4.822
  175   2HB   LEU  88          3HB       LEU  88  -5.024   2.604   4.872
  176    HG   LEU  88           HG       LEU  88  -4.437   5.293   3.866
  177   1HD1  LEU  88          1HD1      LEU  88  -3.198   4.824   2.043
  178   2HD1  LEU  88          2HD1      LEU  88  -2.578   3.536   3.082
  179   3HD1  LEU  88          3HD1      LEU  88  -3.838   3.186   1.895
  180   1HD2  LEU  88          1HD2      LEU  88  -5.941   3.020   2.607
  181   2HD2  LEU  88          2HD2      LEU  88  -6.634   4.047   3.869
  182   3HD2  LEU  88          3HD2      LEU  88  -6.142   4.753   2.326
  183    H    ARG  89           HN       ARG  89  -5.101   2.757   8.180
  184    HA   ARG  89           HA       ARG  89  -2.524   2.703   9.437
  185   1HB   ARG  89          2HB       ARG  89  -4.367   2.828  10.916
  186   2HB   ARG  89          3HB       ARG  89  -5.208   1.513  10.107
  187   1HG   ARG  89          2HG       ARG  89  -3.615  -0.067  10.910
  188   2HG   ARG  89          3HG       ARG  89  -2.628   1.218  11.588
  189   1HD   ARG  89          2HD       ARG  89  -4.751   1.830  12.909
  190   2HD   ARG  89          3HD       ARG  89  -5.280   0.203  12.514
  191    HE   ARG  89           HE       ARG  89  -2.645   0.405  13.693
  192   1HH1  ARG  89          2HH1      ARG  89  -6.057  -0.067  14.270
  193   2HH1  ARG  89          1HH1      ARG  89  -5.816  -0.854  15.793
  194   1HH2  ARG  89          2HH2      ARG  89  -2.331  -0.629  15.697
  195   2HH2  ARG  89          1HH2      ARG  89  -3.703  -1.173  16.603
  196    H    ILE  90           HN       ILE  90  -1.074   1.535   8.408
  197    HA   ILE  90           HA       ILE  90  -1.533  -0.646   6.749
  198    HB   ILE  90           HB       ILE  90   1.026  -0.101   8.254
  199   1HG1  ILE  90          2HG1      ILE  90   0.138   1.887   7.056
  200   2HG1  ILE  90          3HG1      ILE  90   1.671   1.333   6.423
  201   1HG2  ILE  90          1HG2      ILE  90   2.017  -1.627   6.961
  202   2HG2  ILE  90          2HG2      ILE  90   0.386  -2.211   6.629
  203   3HG2  ILE  90          3HG2      ILE  90   1.162  -1.084   5.516
  204   1HD1  ILE  90          1HD1      ILE  90  -0.418   0.051   4.987
  205   2HD1  ILE  90          2HD1      ILE  90  -0.748   1.783   5.046
  206   3HD1  ILE  90          3HD1      ILE  90   0.787   1.200   4.402
  207    H    LEU  91           HN       LEU  91  -2.387  -2.471   7.248
  208    HA   LEU  91           HA       LEU  91  -2.213  -3.651   9.872
  209   1HB   LEU  91          2HB       LEU  91  -3.275  -4.894   7.339
  210   2HB   LEU  91          3HB       LEU  91  -3.695  -5.308   8.990
  211    HG   LEU  91           HG       LEU  91  -4.375  -2.724   7.588
  212   1HD1  LEU  91          1HD1      LEU  91  -6.753  -3.710   8.092
  213   2HD1  LEU  91          2HD1      LEU  91  -5.863  -4.135   6.629
  214   3HD1  LEU  91          3HD1      LEU  91  -5.879  -5.242   8.001
  215   1HD2  LEU  91          1HD2      LEU  91  -4.501  -1.927   9.674
  216   2HD2  LEU  91          2HD2      LEU  91  -5.977  -2.885   9.795
  217   3HD2  LEU  91          3HD2      LEU  91  -4.451  -3.537  10.392
  218    H    GLU  92           HN       GLU  92  -1.128  -4.354   6.605
  219    HA   GLU  92           HA       GLU  92   1.160  -5.796   7.673
  220   1HB   GLU  92          2HB       GLU  92  -1.045  -7.101   6.438
  221   2HB   GLU  92          3HB       GLU  92   0.327  -7.188   5.339
  222   1HG   GLU  92          2HG       GLU  92   1.153  -8.847   6.534
  223   2HG   GLU  92          3HG       GLU  92   1.324  -7.735   7.895
  224    H    GLN  93           HN       GLN  93   2.997  -5.455   6.540
  225    HA   GLN  93           HA       GLN  93   2.741  -3.934   4.051
  226   1HB   GLN  93          2HB       GLN  93   5.020  -2.943   4.910
  227   2HB   GLN  93          3HB       GLN  93   3.483  -2.265   5.414
  228   1HG   GLN  93          2HG       GLN  93   3.593  -3.768   7.393
  229   2HG   GLN  93          3HG       GLN  93   5.222  -4.152   6.891
  230   1HE2  GLN  93          1HE2      GLN  93   6.806  -2.963   7.706
  231   2HE2  GLN  93          2HE2      GLN  93   6.630  -1.395   8.410
  232    H    SER  94           HN       SER  94   3.033  -6.731   4.244
  233    HA   SER  94           HA       SER  94   5.815  -7.219   3.486
  234   1HB   SER  94          2HB       SER  94   4.338  -9.604   3.265
  235   2HB   SER  94          3HB       SER  94   5.458  -9.161   4.551
  236    HG   SER  94           HG       SER  94   3.741  -8.309   5.709
  237    H    GLY  95           HN       GLY  95   6.385  -7.211   1.421
  238   1HA   GLY  95          1HA       GLY  95   6.210  -7.812  -0.856
  239   2HA   GLY  95          2HA       GLY  95   4.502  -8.127  -0.612
  240    H    GLU  96           HN       GLU  96   5.581  -6.751  -2.768
  241    HA   GLU  96           HA       GLU  96   5.693  -4.018  -2.709
  242   1HB   GLU  96          2HB       GLU  96   6.125  -4.742  -4.803
  243   2HB   GLU  96          3HB       GLU  96   4.962  -6.058  -4.692
  244   1HG   GLU  96          2HG       GLU  96   3.170  -4.603  -5.120
  245   2HG   GLU  96          3HG       GLU  96   4.219  -3.190  -5.059
  246    H    TRP  97           HN       TRP  97   2.923  -5.990  -2.085
  247    HA   TRP  97           HA       TRP  97   1.203  -3.607  -2.203
  248   1HB   TRP  97          2HB       TRP  97   0.628  -6.529  -2.596
  249   2HB   TRP  97          3HB       TRP  97  -0.656  -5.409  -2.154
  250    HD1  TRP  97           1HD      TRP  97   1.703  -6.263  -5.042
  251    HE1  TRP  97           1HE      TRP  97   0.862  -5.089  -7.172
  252    HE3  TRP  97           3HE      TRP  97  -2.021  -3.435  -2.989
  253    HZ2  TRP  97           2HZ      TRP  97  -1.119  -3.205  -7.884
  254    HZ3  TRP  97           3HZ      TRP  97  -3.339  -1.972  -4.453
  255    HH2  TRP  97           2HH      TRP  97  -2.894  -1.855  -6.852
  256    H    TRP  98           HN       TRP  98   0.949  -2.713  -0.268
  257    HA   TRP  98           HA       TRP  98   1.141  -4.351   2.135
  258   1HB   TRP  98          2HB       TRP  98   1.111  -1.371   1.697
  259   2HB   TRP  98          3HB       TRP  98   1.049  -2.103   3.291
  260    HD1  TRP  98           1HD      TRP  98   3.249  -4.212   1.295
  261    HE1  TRP  98           1HE      TRP  98   5.723  -3.647   1.738
  262    HE3  TRP  98           3HE      TRP  98   2.617   0.234   3.681
  263    HZ2  TRP  98           2HZ      TRP  98   7.209  -1.553   2.940
  264    HZ3  TRP  98           3HZ      TRP  98   4.600   1.477   4.444
  265    HH2  TRP  98           2HH      TRP  98   6.853   0.595   4.085
  266    H    LYS  99           HN       LYS  99  -0.447  -4.661   3.586
  267    HA   LYS  99           HA       LYS  99  -3.167  -4.080   2.755
  268   1HB   LYS  99          2HB       LYS  99  -2.716  -6.309   3.614
  269   2HB   LYS  99          3HB       LYS  99  -2.029  -5.639   5.083
  270   1HG   LYS  99          2HG       LYS  99  -4.430  -6.591   5.125
  271   2HG   LYS  99          3HG       LYS  99  -4.085  -5.073   5.957
  272   1HD   LYS  99          2HD       LYS  99  -5.098  -3.795   4.333
  273   2HD   LYS  99          3HD       LYS  99  -5.030  -5.082   3.125
  274   1HE   LYS  99          2HE       LYS  99  -6.528  -5.973   5.398
  275   2HE   LYS  99          3HE       LYS  99  -7.157  -4.421   4.855
  276   1HZ   LYS  99          1HZ       LYS  99  -8.283  -5.634   3.379
  277   2HZ   LYS  99          2HZ       LYS  99  -7.316  -7.003   3.601
  278   3HZ   LYS  99          3HZ       LYS  99  -6.820  -5.781   2.542
  279    H    ALA 100           HN       ALA 100  -4.039  -2.165   3.320
  280    HA   ALA 100           HA       ALA 100  -3.223  -1.015   5.909
  281   1HB   ALA 100          1HB       ALA 100  -2.650   0.138   3.575
  282   2HB   ALA 100          2HB       ALA 100  -4.269   0.802   3.819
  283   3HB   ALA 100          3HB       ALA 100  -3.015   1.061   5.036
  284    H    GLN 101           HN       GLN 101  -4.748  -0.157   7.232
  285    HA   GLN 101           HA       GLN 101  -7.534  -0.640   6.426
  286   1HB   GLN 101          2HB       GLN 101  -7.012  -1.943   8.370
  287   2HB   GLN 101          3HB       GLN 101  -6.262  -0.575   9.171
  288   1HG   GLN 101          2HG       GLN 101  -8.537   0.499   9.024
  289   2HG   GLN 101          3HG       GLN 101  -9.167  -1.082   8.631
  290   1HE2  GLN 101          1HE2      GLN 101  -7.580   0.853  11.069
  291   2HE2  GLN 101          2HE2      GLN 101  -7.955  -0.170  12.409
  292    H    SER 102           HN       SER 102  -8.417   1.169   5.747
  293    HA   SER 102           HA       SER 102  -7.466   3.719   6.012
  294   1HB   SER 102          2HB       SER 102  -9.887   2.429   5.124
  295   2HB   SER 102          3HB       SER 102 -10.241   3.942   5.915
  296    HG   SER 102           HG       SER 102  -8.788   3.466   3.590
  297    H    LEU 103           HN       LEU 103  -8.572   5.551   7.198
  298    HA   LEU 103           HA       LEU 103  -9.271   4.672   9.922
  299   1HB   LEU 103          2HB       LEU 103  -7.380   6.819   9.048
  300   2HB   LEU 103          3HB       LEU 103  -8.081   6.794  10.653
  301    HG   LEU 103           HG       LEU 103  -7.170   4.233  10.434
  302   1HD1  LEU 103          1HD1      LEU 103  -5.394   6.012   8.813
  303   2HD1  LEU 103          2HD1      LEU 103  -4.800   4.544   9.593
  304   3HD1  LEU 103          3HD1      LEU 103  -6.084   4.446   8.386
  305   1HD2  LEU 103          1HD2      LEU 103  -5.649   4.760  12.075
  306   2HD2  LEU 103          2HD2      LEU 103  -5.283   6.343  11.382
  307   3HD2  LEU 103          3HD2      LEU 103  -6.813   6.080  12.221
  308    H    THR 104           HN       THR 104  -9.942   6.794   7.301
  309    HA   THR 104           HA       THR 104 -11.734   8.475   8.820
  310    HB   THR 104           HB       THR 104 -11.665   8.291   5.824
  311    HG1  THR 104           1HG      THR 104  -9.900   9.758   5.888
  312   1HG2  THR 104          1HG2      THR 104 -13.225   9.843   6.539
  313   2HG2  THR 104          2HG2      THR 104 -11.797  10.797   6.132
  314   3HG2  THR 104          3HG2      THR 104 -12.170  10.443   7.819
  315    H    THR 105           HN       THR 105 -11.810   5.859   6.538
  316    HA   THR 105           HA       THR 105 -14.703   5.461   6.893
  317    HB   THR 105           HB       THR 105 -14.753   4.650   4.766
  318    HG1  THR 105           1HG      THR 105 -12.021   3.964   4.934
  319   1HG2  THR 105          1HG2      THR 105 -13.272   5.843   3.241
  320   2HG2  THR 105          2HG2      THR 105 -12.272   6.317   4.616
  321   3HG2  THR 105          3HG2      THR 105 -13.931   6.905   4.486
  322    H    GLY 106           HN       GLY 106 -11.568   4.072   6.960
  323   1HA   GLY 106          1HA       GLY 106 -10.660   2.416   8.181
  324   2HA   GLY 106          2HA       GLY 106 -12.234   2.028   8.817
  325    H    GLN 107           HN       GLN 107 -12.559   2.139   5.533
  326    HA   GLN 107           HA       GLN 107 -13.044  -0.517   5.164
  327   1HB   GLN 107          2HB       GLN 107 -12.392   1.747   3.396
  328   2HB   GLN 107          3HB       GLN 107 -12.430   0.139   2.698
  329   1HG   GLN 107          2HG       GLN 107 -14.612   0.485   2.466
  330   2HG   GLN 107          3HG       GLN 107 -14.682   0.172   4.200
  331   1HE2  GLN 107          1HE2      GLN 107 -14.005   2.845   1.961
  332   2HE2  GLN 107          2HE2      GLN 107 -14.881   4.038   2.851
  333    H    GLU 108           HN       GLU 108 -11.845  -2.244   5.125
  334    HA   GLU 108           HA       GLU 108  -8.951  -1.974   5.078
  335   1HB   GLU 108          2HB       GLU 108 -10.658  -4.415   5.541
  336   2HB   GLU 108          3HB       GLU 108  -8.924  -4.323   5.751
  337   1HG   GLU 108          2HG       GLU 108  -9.137  -3.527   7.788
  338   2HG   GLU 108          3HG       GLU 108 -10.231  -2.256   7.253
  339    H    GLY 109           HN       GLY 109  -7.575  -2.924   3.625
  340   1HA   GLY 109          1HA       GLY 109  -8.211  -4.743   1.622
  341   2HA   GLY 109          2HA       GLY 109  -8.485  -3.144   0.950
  342    H    PHE 110           HN       PHE 110  -6.686  -4.436  -0.372
  343    HA   PHE 110           HA       PHE 110  -4.034  -4.090   0.717
  344   1HB   PHE 110          2HB       PHE 110  -5.263  -5.433  -1.603
  345   2HB   PHE 110          3HB       PHE 110  -3.660  -4.780  -1.880
  346    HD1  PHE 110           1HD      PHE 110  -2.223  -6.595  -1.931
  347    HD2  PHE 110           2HD      PHE 110  -5.136  -6.326   1.161
  348    HE1  PHE 110           1HE      PHE 110  -1.239  -8.567  -0.838
  349    HE2  PHE 110           2HE      PHE 110  -4.156  -8.296   2.260
  350    HZ   PHE 110           HZ       PHE 110  -2.205  -9.419   1.261
  351    H    ILE 111           HN       ILE 111  -2.418  -2.744  -0.240
  352    HA   ILE 111           HA       ILE 111  -3.325  -0.735  -2.150
  353    HB   ILE 111           HB       ILE 111  -2.622   1.151  -0.786
  354   1HG1  ILE 111          2HG1      ILE 111  -2.410  -0.554   1.657
  355   2HG1  ILE 111          3HG1      ILE 111  -1.042  -0.498   0.555
  356   1HG2  ILE 111          1HG2      ILE 111  -4.965   0.092  -0.654
  357   2HG2  ILE 111          2HG2      ILE 111  -4.474  -0.427   0.960
  358   3HG2  ILE 111          3HG2      ILE 111  -4.509   1.290   0.557
  359   1HD1  ILE 111          1HD1      ILE 111  -0.463   1.185   1.941
  360   2HD1  ILE 111          2HD1      ILE 111  -1.428   2.101   0.781
  361   3HD1  ILE 111          3HD1      ILE 111  -2.136   1.601   2.318
  362    HA   PRO 112           HA       PRO 112   0.687  -1.111  -3.879
  363   1HB   PRO 112          2HB       PRO 112   0.971   1.609  -4.541
  364   2HB   PRO 112          3HB       PRO 112   0.294   0.347  -5.572
  365   1HG   PRO 112          2HG       PRO 112  -1.096   2.367  -3.910
  366   2HG   PRO 112          3HG       PRO 112  -1.601   1.612  -5.419
  367   1HD   PRO 112          2HD       PRO 112  -2.660   0.945  -3.037
  368   2HD   PRO 112          3HD       PRO 112  -2.482  -0.214  -4.361
  369    H    PHE 113           HN       PHE 113   2.307  -1.441  -2.445
  370    HA   PHE 113           HA       PHE 113   2.805  -0.018  -0.134
  371   1HB   PHE 113          2HB       PHE 113   4.739  -1.277   0.111
  372   2HB   PHE 113          3HB       PHE 113   3.771  -2.282  -0.961
  373    HD1  PHE 113           1HD      PHE 113   6.940  -1.728  -0.396
  374    HD2  PHE 113           2HD      PHE 113   4.190  -1.011  -3.562
  375    HE1  PHE 113           1HE      PHE 113   8.797  -1.755  -2.010
  376    HE2  PHE 113           2HE      PHE 113   6.041  -1.036  -5.182
  377    HZ   PHE 113           HZ       PHE 113   8.348  -1.409  -4.406
  378    H    ASN 114           HN       ASN 114   3.626   0.851  -3.378
  379    HA   ASN 114           HA       ASN 114   5.469   2.925  -2.439
  380   1HB   ASN 114          2HB       ASN 114   5.845   3.251  -4.939
  381   2HB   ASN 114          3HB       ASN 114   6.400   1.727  -4.256
  382   1HD2  ASN 114          1HD2      ASN 114   5.175   2.872  -6.920
  383   2HD2  ASN 114          2HD2      ASN 114   4.123   1.591  -7.407
  384    H    PHE 115           HN       PHE 115   2.594   3.083  -1.977
  385    HA   PHE 115           HA       PHE 115   1.967   5.469  -3.595
  386   1HB   PHE 115          2HB       PHE 115   0.471   3.109  -3.245
  387   2HB   PHE 115          3HB       PHE 115  -0.352   4.346  -2.310
  388    HD1  PHE 115           1HD      PHE 115  -2.203   4.970  -3.483
  389    HD2  PHE 115           2HD      PHE 115   1.489   4.548  -5.545
  390    HE1  PHE 115           1HE      PHE 115  -3.251   5.839  -5.517
  391    HE2  PHE 115           2HE      PHE 115   0.446   5.420  -7.595
  392    HZ   PHE 115           HZ       PHE 115  -1.931   6.070  -7.586
  393    H    VAL 116           HN       VAL 116   2.307   4.158  -0.401
  394    HA   VAL 116           HA       VAL 116   1.257   6.668   0.720
  395    HB   VAL 116           HB       VAL 116   0.952   5.402   2.837
  396   1HG1  VAL 116          1HG1      VAL 116  -1.157   4.815   2.255
  397   2HG1  VAL 116          2HG1      VAL 116  -0.717   5.702   0.795
  398   3HG1  VAL 116          3HG1      VAL 116  -0.636   3.940   0.814
  399   1HG2  VAL 116          1HG2      VAL 116   0.765   2.772   1.894
  400   2HG2  VAL 116          2HG2      VAL 116   2.328   3.363   1.334
  401   3HG2  VAL 116          3HG2      VAL 116   1.934   3.408   3.052
  402    H    ALA 117           HN       ALA 117   2.257   7.649   2.442
  403    HA   ALA 117           HA       ALA 117   4.963   6.792   3.158
  404   1HB   ALA 117          1HB       ALA 117   5.787   8.388   1.798
  405   2HB   ALA 117          2HB       ALA 117   4.236   9.218   1.670
  406   3HB   ALA 117          3HB       ALA 117   5.275   9.498   3.068
  407    H    LYS 118           HN       LYS 118   5.481   7.228   5.286
  408    HA   LYS 118           HA       LYS 118   3.635   7.323   7.237
  409   1HB   LYS 118          2HB       LYS 118   6.463   7.853   7.085
  410   2HB   LYS 118          3HB       LYS 118   5.721   8.904   8.280
  411   1HG   LYS 118          2HG       LYS 118   6.626   6.635   9.045
  412   2HG   LYS 118          3HG       LYS 118   5.022   7.121   9.597
  413   1HD   LYS 118          2HD       LYS 118   3.956   5.569   8.301
  414   2HD   LYS 118          3HD       LYS 118   5.227   5.558   7.078
  415   1HE   LYS 118          2HE       LYS 118   5.587   3.517   8.047
  416   2HE   LYS 118          3HE       LYS 118   6.643   4.522   9.039
  417   1HZ   LYS 118          1HZ       LYS 118   4.837   2.863  10.048
  418   2HZ   LYS 118          2HZ       LYS 118   3.895   4.264   9.949
  419   3HZ   LYS 118          3HZ       LYS 118   5.333   4.275  10.838
  420    H    ALA 119           HN       ALA 119   2.457   8.766   8.400
  421    HA   ALA 119           HA       ALA 119   1.766  11.231   7.145
  422   1HB   ALA 119          1HB       ALA 119   0.546  11.527   9.477
  423   2HB   ALA 119          2HB       ALA 119  -0.062  10.415   8.253
  424   3HB   ALA 119          3HB       ALA 119   0.891   9.804   9.610
  425    H    ASN 120           HN       ASN 120   4.392  11.519   7.464
  426    HA   ASN 120           HA       ASN 120   4.623  13.478   9.649
  427   1HB   ASN 120          2HB       ASN 120   5.973  11.213   9.779
  428   2HB   ASN 120          3HB       ASN 120   7.047  12.038   8.654
  429   1HD2  ASN 120          1HD2      ASN 120   7.049  11.219  11.634
  430   2HD2  ASN 120          2HD2      ASN 120   7.682  12.623  12.417
  Start of MODEL   18
    1    H    ASN  64           HN       ASN  64   1.215   2.927  12.885
    2    HA   ASN  64           HA       ASN  64   3.345   2.132  11.212
    3   1HB   ASN  64          2HB       ASN  64   1.258   0.071  11.824
    4   2HB   ASN  64          3HB       ASN  64   1.890   0.176  10.188
    5   1HD2  ASN  64          1HD2      ASN  64   2.186  -2.061  11.813
    6   2HD2  ASN  64          2HD2      ASN  64   3.864  -2.269  12.165
    7    H    LEU  65           HN       LEU  65   1.281   4.206  11.606
    8    HA   LEU  65           HA       LEU  65  -0.454   3.888   9.325
    9   1HB   LEU  65          2HB       LEU  65  -1.484   4.926  11.137
   10   2HB   LEU  65          3HB       LEU  65  -0.170   6.047  11.383
   11    HG   LEU  65           HG       LEU  65  -0.762   7.157   9.293
   12   1HD1  LEU  65          1HD1      LEU  65  -2.284   4.785   8.912
   13   2HD1  LEU  65          2HD1      LEU  65  -3.350   6.186   8.813
   14   3HD1  LEU  65          3HD1      LEU  65  -1.935   6.080   7.762
   15   1HD2  LEU  65          1HD2      LEU  65  -1.723   7.997  11.358
   16   2HD2  LEU  65          2HD2      LEU  65  -2.887   8.152  10.041
   17   3HD2  LEU  65          3HD2      LEU  65  -3.057   6.853  11.221
   18    H    VAL  66           HN       VAL  66  -0.438   4.960   7.520
   19    HA   VAL  66           HA       VAL  66   1.874   6.674   6.898
   20    HB   VAL  66           HB       VAL  66   1.583   5.730   4.559
   21   1HG1  VAL  66          1HG1      VAL  66   2.722   4.187   6.858
   22   2HG1  VAL  66          2HG1      VAL  66   2.935   3.661   5.186
   23   3HG1  VAL  66          3HG1      VAL  66   3.566   5.224   5.706
   24   1HG2  VAL  66          1HG2      VAL  66   0.117   3.630   6.130
   25   2HG2  VAL  66          2HG2      VAL  66  -0.510   4.599   4.796
   26   3HG2  VAL  66          3HG2      VAL  66   0.739   3.390   4.498
   27    H    ILE  67           HN       ILE  67   1.396   7.621   4.549
   28    HA   ILE  67           HA       ILE  67  -1.358   8.488   4.317
   29    HB   ILE  67           HB       ILE  67   0.710  10.192   5.398
   30   1HG1  ILE  67          2HG1      ILE  67  -2.239  10.391   4.879
   31   2HG1  ILE  67          3HG1      ILE  67  -1.443   9.992   6.373
   32   1HG2  ILE  67          1HG2      ILE  67  -0.638  11.162   2.877
   33   2HG2  ILE  67          2HG2      ILE  67   0.197  12.199   4.033
   34   3HG2  ILE  67          3HG2      ILE  67   1.096  10.970   3.142
   35   1HD1  ILE  67          1HD1      ILE  67  -2.328  12.503   5.473
   36   2HD1  ILE  67          2HD1      ILE  67  -1.497  12.113   6.981
   37   3HD1  ILE  67          3HD1      ILE  67  -0.565  12.562   5.552
   38    H    ALA  68           HN       ALA  68  -1.987   8.465   2.308
   39    HA   ALA  68           HA       ALA  68  -0.308   7.654   0.213
   40   1HB   ALA  68          1HB       ALA  68  -3.021   7.813   0.599
   41   2HB   ALA  68          2HB       ALA  68  -2.731   8.986  -0.687
   42   3HB   ALA  68          3HB       ALA  68  -2.213   7.312  -0.887
   43    H    LEU  69           HN       LEU  69   0.332   8.695  -1.686
   44    HA   LEU  69           HA       LEU  69   0.587  11.625  -1.472
   45   1HB   LEU  69          2HB       LEU  69   2.530   9.579  -2.532
   46   2HB   LEU  69          3HB       LEU  69   2.712  11.303  -2.799
   47    HG   LEU  69           HG       LEU  69   2.700   9.948  -0.099
   48   1HD1  LEU  69          1HD1      LEU  69   4.776   9.390  -0.943
   49   2HD1  LEU  69          2HD1      LEU  69   4.889  10.852  -1.926
   50   3HD1  LEU  69          3HD1      LEU  69   5.113  10.942  -0.180
   51   1HD2  LEU  69          1HD2      LEU  69   3.431  12.178   0.705
   52   2HD2  LEU  69          2HD2      LEU  69   3.107  12.825  -0.903
   53   3HD2  LEU  69          3HD2      LEU  69   1.788  12.168   0.065
   54    H    HIS  70           HN       HIS  70  -1.237   9.549  -2.964
   55    HA   HIS  70           HA       HIS  70  -1.656  11.148  -5.275
   56   1HB   HIS  70          2HB       HIS  70  -1.239   8.689  -6.562
   57   2HB   HIS  70          3HB       HIS  70  -0.275  10.150  -6.734
   58    HD1  HIS  70           1HD      HIS  70   1.952   8.961  -7.015
   59    HD2  HIS  70           2HD      HIS  70  -0.017   7.903  -3.518
   60    HE1  HIS  70           1HE      HIS  70   3.635   7.682  -5.661
   61    HE2  HIS  70           2HE      HIS  70   2.474   7.215  -3.478
   62    H    SER  71           HN       SER  71  -3.662  10.779  -6.172
   63    HA   SER  71           HA       SER  71  -5.583   9.439  -4.645
   64   1HB   SER  71          2HB       SER  71  -6.151   9.777  -7.537
   65   2HB   SER  71          3HB       SER  71  -7.107  10.259  -6.136
   66    HG   SER  71           HG       SER  71  -5.650  11.813  -7.624
   67    H    TYR  72           HN       TYR  72  -6.079   7.356  -4.465
   68    HA   TYR  72           HA       TYR  72  -4.987   5.508  -6.476
   69   1HB   TYR  72          2HB       TYR  72  -4.339   5.196  -4.070
   70   2HB   TYR  72          3HB       TYR  72  -6.013   4.800  -3.732
   71    HD1  TYR  72           1HD      TYR  72  -6.171   2.544  -3.282
   72    HD2  TYR  72           2HD      TYR  72  -3.724   3.813  -6.521
   73    HE1  TYR  72           1HE      TYR  72  -5.763   0.198  -3.887
   74    HE2  TYR  72           2HE      TYR  72  -3.316   1.470  -7.136
   75    HH   TYR  72           HH       TYR  72  -4.559  -0.760  -6.803
   76    H    GLU  73           HN       GLU  73  -6.166   3.892  -7.398
   77    HA   GLU  73           HA       GLU  73  -9.043   3.821  -6.940
   78   1HB   GLU  73          2HB       GLU  73  -7.751   4.884  -9.220
   79   2HB   GLU  73          3HB       GLU  73  -8.579   3.418  -9.699
   80   1HG   GLU  73          2HG       GLU  73 -10.666   4.263  -8.964
   81   2HG   GLU  73          3HG       GLU  73  -9.889   5.613  -8.138
   82    HA   PRO  74           HA       PRO  74  -7.446  -0.406  -6.239
   83   1HB   PRO  74          2HB       PRO  74 -10.248  -1.098  -6.160
   84   2HB   PRO  74          3HB       PRO  74  -9.084  -1.049  -4.836
   85   1HG   PRO  74          2HG       PRO  74 -11.054   0.972  -5.666
   86   2HG   PRO  74          3HG       PRO  74 -10.257   0.751  -4.100
   87   1HD   PRO  74          2HD       PRO  74  -9.642   2.810  -5.745
   88   2HD   PRO  74          3HD       PRO  74  -8.419   2.017  -4.725
   89    H    SER  75           HN       SER  75  -6.867  -1.740  -7.791
   90    HA   SER  75           HA       SER  75  -8.671  -2.142 -10.085
   91   1HB   SER  75          2HB       SER  75  -6.297  -0.872 -10.300
   92   2HB   SER  75          3HB       SER  75  -5.764  -2.539 -10.513
   93    HG   SER  75           HG       SER  75  -6.830  -0.999 -12.323
   94    H    HIS  76           HN       HIS  76  -6.171  -3.535  -8.010
   95    HA   HIS  76           HA       HIS  76  -6.523  -6.188  -9.073
   96   1HB   HIS  76          2HB       HIS  76  -4.805  -4.912  -7.007
   97   2HB   HIS  76          3HB       HIS  76  -5.141  -6.630  -6.810
   98    HD1  HIS  76           1HD      HIS  76  -3.399  -4.203  -9.072
   99    HD2  HIS  76           2HD      HIS  76  -3.893  -8.309  -8.654
  100    HE1  HIS  76           1HE      HIS  76  -1.723  -5.244 -10.632
  101    HE2  HIS  76           2HE      HIS  76  -1.978  -7.728 -10.293
  102    H    ASP  77           HN       ASP  77  -6.986  -8.025  -7.513
  103    HA   ASP  77           HA       ASP  77  -9.561  -7.584  -6.348
  104   1HB   ASP  77          2HB       ASP  77  -7.749  -9.996  -6.460
  105   2HB   ASP  77          3HB       ASP  77  -9.326 -10.020  -5.675
  106    H    GLY  78           HN       GLY  78 -10.168  -7.597  -4.205
  107   1HA   GLY  78          1HA       GLY  78  -9.955  -7.263  -1.941
  108   2HA   GLY  78          2HA       GLY  78  -8.526  -8.278  -2.034
  109    H    ASP  79           HN       ASP  79  -9.112  -5.136  -3.573
  110    HA   ASP  79           HA       ASP  79  -6.759  -4.119  -2.136
  111   1HB   ASP  79          2HB       ASP  79  -7.954  -3.306  -4.785
  112   2HB   ASP  79          3HB       ASP  79  -6.655  -2.424  -3.988
  113    H    LEU  80           HN       LEU  80  -6.759  -1.931  -1.430
  114    HA   LEU  80           HA       LEU  80  -9.445  -0.945  -0.745
  115   1HB   LEU  80          2HB       LEU  80  -8.481  -1.365   1.304
  116   2HB   LEU  80          3HB       LEU  80  -6.861  -1.031   0.734
  117    HG   LEU  80           HG       LEU  80  -7.480   1.409   0.704
  118   1HD1  LEU  80          1HD1      LEU  80  -9.446   1.711   2.496
  119   2HD1  LEU  80          2HD1      LEU  80  -9.720   1.714   0.753
  120   3HD1  LEU  80          3HD1      LEU  80 -10.009   0.247   1.688
  121   1HD2  LEU  80          1HD2      LEU  80  -6.146   0.416   2.491
  122   2HD2  LEU  80          2HD2      LEU  80  -7.207   1.678   3.112
  123   3HD2  LEU  80          3HD2      LEU  80  -7.620  -0.019   3.353
  124    H    GLY  81           HN       GLY  81 -10.028   1.052  -1.398
  125   1HA   GLY  81          1HA       GLY  81  -8.066   2.548  -2.973
  126   2HA   GLY  81          2HA       GLY  81  -9.804   2.755  -3.049
  127    H    PHE  82           HN       PHE  82  -7.521   4.630  -2.610
  128    HA   PHE  82           HA       PHE  82  -8.729   6.066  -0.388
  129   1HB   PHE  82          2HB       PHE  82  -6.287   6.639   0.344
  130   2HB   PHE  82          3HB       PHE  82  -7.036   5.146   0.888
  131    HD1  PHE  82           1HD      PHE  82  -4.160   6.543  -0.518
  132    HD2  PHE  82           2HD      PHE  82  -6.611   3.072  -0.706
  133    HE1  PHE  82           1HE      PHE  82  -2.271   5.261  -1.460
  134    HE2  PHE  82           2HE      PHE  82  -4.736   1.797  -1.652
  135    HZ   PHE  82           HZ       PHE  82  -2.565   2.887  -2.023
  136    H    GLU  83           HN       GLU  83  -7.517   8.274  -0.180
  137    HA   GLU  83           HA       GLU  83  -7.263   9.322  -2.919
  138   1HB   GLU  83          2HB       GLU  83  -8.651  10.224  -0.525
  139   2HB   GLU  83          3HB       GLU  83  -7.625  11.476  -1.203
  140   1HG   GLU  83          2HG       GLU  83  -8.911  10.422  -3.403
  141   2HG   GLU  83          3HG       GLU  83 -10.147  10.418  -2.147
  142    H    LYS  84           HN       LYS  84  -5.941  11.488  -2.875
  143    HA   LYS  84           HA       LYS  84  -3.296  10.786  -2.039
  144   1HB   LYS  84          2HB       LYS  84  -3.355  11.991  -4.040
  145   2HB   LYS  84          3HB       LYS  84  -4.522  13.147  -3.423
  146   1HG   LYS  84          2HG       LYS  84  -2.568  13.808  -1.807
  147   2HG   LYS  84          3HG       LYS  84  -1.568  13.034  -3.034
  148   1HD   LYS  84          2HD       LYS  84  -3.343  14.655  -4.443
  149   2HD   LYS  84          3HD       LYS  84  -2.833  15.622  -3.060
  150   1HE   LYS  84          2HE       LYS  84  -0.695  14.151  -4.458
  151   2HE   LYS  84          3HE       LYS  84  -1.455  15.450  -5.377
  152   1HZ   LYS  84          1HZ       LYS  84  -0.570  17.018  -4.055
  153   2HZ   LYS  84          2HZ       LYS  84   0.564  15.821  -3.681
  154   3HZ   LYS  84          3HZ       LYS  84  -0.740  16.103  -2.642
  155    H    GLY  85           HN       GLY  85  -2.245  11.372  -0.234
  156   1HA   GLY  85          1HA       GLY  85  -1.774  12.532   1.739
  157   2HA   GLY  85          2HA       GLY  85  -3.144  13.591   1.405
  158    H    GLU  86           HN       GLU  86  -4.558  10.782   0.960
  159    HA   GLU  86           HA       GLU  86  -5.991  10.723   3.344
  160   1HB   GLU  86          2HB       GLU  86  -6.229   9.518   0.923
  161   2HB   GLU  86          3HB       GLU  86  -5.661   8.169   1.887
  162   1HG   GLU  86          2HG       GLU  86  -8.267   9.085   1.590
  163   2HG   GLU  86          3HG       GLU  86  -7.684   7.822   2.653
  164    H    GLN  87           HN       GLN  87  -6.063   8.825   4.847
  165    HA   GLN  87           HA       GLN  87  -3.338   7.860   5.390
  166   1HB   GLN  87          2HB       GLN  87  -5.333   8.416   7.563
  167   2HB   GLN  87          3HB       GLN  87  -3.603   8.160   7.709
  168   1HG   GLN  87          2HG       GLN  87  -3.103  10.289   7.258
  169   2HG   GLN  87          3HG       GLN  87  -4.365  10.435   6.040
  170   1HE2  GLN  87          1HE2      GLN  87  -4.671   9.490   9.421
  171   2HE2  GLN  87          2HE2      GLN  87  -5.682  10.811   9.889
  172    H    LEU  88           HN       LEU  88  -3.094   5.854   6.196
  173    HA   LEU  88           HA       LEU  88  -5.408   4.119   6.554
  174   1HB   LEU  88          2HB       LEU  88  -3.264   3.010   4.839
  175   2HB   LEU  88          3HB       LEU  88  -4.976   2.642   4.872
  176    HG   LEU  88           HG       LEU  88  -4.393   5.332   3.878
  177   1HD1  LEU  88          1HD1      LEU  88  -2.501   3.595   3.119
  178   2HD1  LEU  88          2HD1      LEU  88  -3.736   3.245   1.907
  179   3HD1  LEU  88          3HD1      LEU  88  -3.112   4.886   2.079
  180   1HD2  LEU  88          1HD2      LEU  88  -6.052   4.759   2.286
  181   2HD2  LEU  88          2HD2      LEU  88  -5.858   3.032   2.614
  182   3HD2  LEU  88          3HD2      LEU  88  -6.578   4.091   3.834
  183    H    ARG  89           HN       ARG  89  -5.076   2.794   8.184
  184    HA   ARG  89           HA       ARG  89  -2.506   2.723   9.452
  185   1HB   ARG  89          2HB       ARG  89  -4.349   2.860  10.924
  186   2HB   ARG  89          3HB       ARG  89  -5.208   1.566  10.101
  187   1HG   ARG  89          2HG       ARG  89  -3.634  -0.045  10.903
  188   2HG   ARG  89          3HG       ARG  89  -2.654   1.225  11.619
  189   1HD   ARG  89          2HD       ARG  89  -4.783   1.840  12.909
  190   2HD   ARG  89          3HD       ARG  89  -5.347   0.239  12.463
  191    HE   ARG  89           HE       ARG  89  -2.738   0.340  13.709
  192   1HH1  ARG  89          2HH1      ARG  89  -6.175  -0.051  14.190
  193   2HH1  ARG  89          1HH1      ARG  89  -5.995  -0.874  15.703
  194   1HH2  ARG  89          2HH2      ARG  89  -2.503  -0.741  15.699
  195   2HH2  ARG  89          1HH2      ARG  89  -3.913  -1.265  16.559
  196    H    ILE  90           HN       ILE  90  -1.055   1.542   8.433
  197    HA   ILE  90           HA       ILE  90  -1.537  -0.638   6.770
  198    HB   ILE  90           HB       ILE  90   1.042  -0.129   8.256
  199   1HG1  ILE  90          2HG1      ILE  90   0.227   1.905   7.130
  200   2HG1  ILE  90          3HG1      ILE  90   1.690   1.293   6.389
  201   1HG2  ILE  90          1HG2      ILE  90   1.105  -1.065   5.491
  202   2HG2  ILE  90          2HG2      ILE  90   2.011  -1.623   6.900
  203   3HG2  ILE  90          3HG2      ILE  90   0.368  -2.206   6.618
  204   1HD1  ILE  90          1HD1      ILE  90  -0.808   1.866   5.188
  205   2HD1  ILE  90          2HD1      ILE  90   0.674   1.283   4.429
  206   3HD1  ILE  90          3HD1      ILE  90  -0.511   0.133   5.046
  207    H    LEU  91           HN       LEU  91  -2.386  -2.461   7.274
  208    HA   LEU  91           HA       LEU  91  -2.206  -3.633   9.900
  209   1HB   LEU  91          2HB       LEU  91  -3.277  -4.895   7.382
  210   2HB   LEU  91          3HB       LEU  91  -3.705  -5.277   9.039
  211    HG   LEU  91           HG       LEU  91  -4.366  -2.721   7.577
  212   1HD1  LEU  91          1HD1      LEU  91  -6.746  -3.722   8.204
  213   2HD1  LEU  91          2HD1      LEU  91  -5.922  -4.068   6.684
  214   3HD1  LEU  91          3HD1      LEU  91  -5.849  -5.231   8.008
  215   1HD2  LEU  91          1HD2      LEU  91  -4.442  -3.459  10.408
  216   2HD2  LEU  91          2HD2      LEU  91  -4.441  -1.869   9.647
  217   3HD2  LEU  91          3HD2      LEU  91  -5.946  -2.775   9.793
  218    H    GLU  92           HN       GLU  92  -1.147  -4.366   6.628
  219    HA   GLU  92           HA       GLU  92   1.145  -5.805   7.699
  220   1HB   GLU  92          2HB       GLU  92  -1.066  -7.104   6.461
  221   2HB   GLU  92          3HB       GLU  92   0.314  -7.207   5.374
  222   1HG   GLU  92          2HG       GLU  92   1.116  -8.864   6.587
  223   2HG   GLU  92          3HG       GLU  92   1.294  -7.740   7.938
  224    H    GLN  93           HN       GLN  93   2.980  -5.459   6.577
  225    HA   GLN  93           HA       GLN  93   2.732  -3.943   4.083
  226   1HB   GLN  93          2HB       GLN  93   5.030  -2.980   4.951
  227   2HB   GLN  93          3HB       GLN  93   3.497  -2.277   5.433
  228   1HG   GLN  93          2HG       GLN  93   3.562  -3.768   7.422
  229   2HG   GLN  93          3HG       GLN  93   5.191  -4.180   6.942
  230   1HE2  GLN  93          1HE2      GLN  93   6.615  -3.180   8.180
  231   2HE2  GLN  93          2HE2      GLN  93   6.520  -1.538   8.712
  232    H    SER  94           HN       SER  94   3.005  -6.743   4.270
  233    HA   SER  94           HA       SER  94   5.780  -7.243   3.495
  234   1HB   SER  94          2HB       SER  94   4.299  -9.629   3.310
  235   2HB   SER  94          3HB       SER  94   5.434  -9.177   4.579
  236    HG   SER  94           HG       SER  94   3.140  -9.721   5.160
  237    H    GLY  95           HN       GLY  95   6.324  -7.255   1.421
  238   1HA   GLY  95          1HA       GLY  95   6.112  -7.893  -0.847
  239   2HA   GLY  95          2HA       GLY  95   4.400  -8.171  -0.577
  240    H    GLU  96           HN       GLU  96   5.464  -6.848  -2.765
  241    HA   GLU  96           HA       GLU  96   5.624  -4.109  -2.725
  242   1HB   GLU  96          2HB       GLU  96   6.056  -4.868  -4.810
  243   2HB   GLU  96          3HB       GLU  96   4.868  -6.160  -4.690
  244   1HG   GLU  96          2HG       GLU  96   3.106  -4.682  -5.144
  245   2HG   GLU  96          3HG       GLU  96   4.174  -3.283  -5.082
  246    H    TRP  97           HN       TRP  97   2.850  -6.045  -2.056
  247    HA   TRP  97           HA       TRP  97   1.144  -3.654  -2.206
  248   1HB   TRP  97          2HB       TRP  97   0.544  -6.576  -2.567
  249   2HB   TRP  97          3HB       TRP  97  -0.728  -5.437  -2.141
  250    HD1  TRP  97           1HD      TRP  97   1.637  -6.341  -5.011
  251    HE1  TRP  97           1HE      TRP  97   0.805  -5.194  -7.160
  252    HE3  TRP  97           3HE      TRP  97  -2.091  -3.478  -3.012
  253    HZ2  TRP  97           2HZ      TRP  97  -1.169  -3.319  -7.906
  254    HZ3  TRP  97           3HZ      TRP  97  -3.401  -2.034  -4.503
  255    HH2  TRP  97           2HH      TRP  97  -2.947  -1.952  -6.901
  256    H    TRP  98           HN       TRP  98   0.918  -2.741  -0.274
  257    HA   TRP  98           HA       TRP  98   1.112  -4.364   2.137
  258   1HB   TRP  98          2HB       TRP  98   1.105  -1.391   1.672
  259   2HB   TRP  98          3HB       TRP  98   1.023  -2.100   3.277
  260    HD1  TRP  98           1HD      TRP  98   3.204  -4.252   1.291
  261    HE1  TRP  98           1HE      TRP  98   5.682  -3.731   1.760
  262    HE3  TRP  98           3HE      TRP  98   2.629   0.197   3.691
  263    HZ2  TRP  98           2HZ      TRP  98   7.195  -1.670   2.981
  264    HZ3  TRP  98           3HZ      TRP  98   4.629   1.399   4.478
  265    HH2  TRP  98           2HH      TRP  98   6.868   0.478   4.132
  266    H    LYS  99           HN       LYS  99  -0.465  -4.695   3.578
  267    HA   LYS  99           HA       LYS  99  -3.189  -4.108   2.780
  268   1HB   LYS  99          2HB       LYS  99  -2.727  -6.334   3.639
  269   2HB   LYS  99          3HB       LYS  99  -2.026  -5.661   5.100
  270   1HG   LYS  99          2HG       LYS  99  -4.430  -6.615   5.159
  271   2HG   LYS  99          3HG       LYS  99  -4.071  -5.103   5.997
  272   1HD   LYS  99          2HD       LYS  99  -5.089  -3.810   4.381
  273   2HD   LYS  99          3HD       LYS  99  -5.055  -5.101   3.177
  274   1HE   LYS  99          2HE       LYS  99  -6.523  -5.964   5.483
  275   2HE   LYS  99          3HE       LYS  99  -7.148  -4.414   4.930
  276   1HZ   LYS  99          1HZ       LYS  99  -7.385  -7.003   3.734
  277   2HZ   LYS  99          2HZ       LYS  99  -6.831  -5.843   2.636
  278   3HZ   LYS  99          3HZ       LYS  99  -8.291  -5.601   3.455
  279    H    ALA 100           HN       ALA 100  -4.010  -2.162   3.316
  280    HA   ALA 100           HA       ALA 100  -3.207  -1.023   5.915
  281   1HB   ALA 100          1HB       ALA 100  -2.574   0.137   3.626
  282   2HB   ALA 100          2HB       ALA 100  -4.218   0.771   3.772
  283   3HB   ALA 100          3HB       ALA 100  -3.036   1.074   5.049
  284    H    GLN 101           HN       GLN 101  -4.737  -0.135   7.221
  285    HA   GLN 101           HA       GLN 101  -7.518  -0.612   6.396
  286   1HB   GLN 101          2HB       GLN 101  -7.010  -1.914   8.346
  287   2HB   GLN 101          3HB       GLN 101  -6.276  -0.544   9.154
  288   1HG   GLN 101          2HG       GLN 101  -8.553   0.523   8.977
  289   2HG   GLN 101          3HG       GLN 101  -9.171  -1.060   8.576
  290   1HE2  GLN 101          1HE2      GLN 101  -7.567   0.853  11.030
  291   2HE2  GLN 101          2HE2      GLN 101  -7.982  -0.159  12.367
  292    H    SER 102           HN       SER 102  -8.387   1.195   5.706
  293    HA   SER 102           HA       SER 102  -7.429   3.744   5.978
  294   1HB   SER 102          2HB       SER 102  -9.841   2.460   5.062
  295   2HB   SER 102          3HB       SER 102 -10.205   3.972   5.853
  296    HG   SER 102           HG       SER 102  -9.782   4.542   3.796
  297    H    LEU 103           HN       LEU 103  -8.558   5.577   7.148
  298    HA   LEU 103           HA       LEU 103  -9.286   4.701   9.864
  299   1HB   LEU 103          2HB       LEU 103  -7.391   6.852   9.011
  300   2HB   LEU 103          3HB       LEU 103  -8.114   6.830  10.605
  301    HG   LEU 103           HG       LEU 103  -7.193   4.270  10.405
  302   1HD1  LEU 103          1HD1      LEU 103  -6.075   4.484   8.373
  303   2HD1  LEU 103          2HD1      LEU 103  -5.394   6.051   8.811
  304   3HD1  LEU 103          3HD1      LEU 103  -4.812   4.584   9.600
  305   1HD2  LEU 103          1HD2      LEU 103  -5.706   4.802  12.072
  306   2HD2  LEU 103          2HD2      LEU 103  -5.322   6.382  11.378
  307   3HD2  LEU 103          3HD2      LEU 103  -6.868   6.129  12.191
  308    H    THR 104           HN       THR 104  -9.933   6.817   7.231
  309    HA   THR 104           HA       THR 104 -11.752   8.494   8.722
  310    HB   THR 104           HB       THR 104 -11.651   8.299   5.729
  311    HG1  THR 104           1HG      THR 104  -9.743   9.573   7.394
  312   1HG2  THR 104          1HG2      THR 104 -13.216   9.855   6.417
  313   2HG2  THR 104          2HG2      THR 104 -11.783  10.809   6.031
  314   3HG2  THR 104          3HG2      THR 104 -12.181  10.455   7.713
  315    H    THR 105           HN       THR 105 -11.785   5.881   6.435
  316    HA   THR 105           HA       THR 105 -14.680   5.466   6.749
  317    HB   THR 105           HB       THR 105 -14.692   4.652   4.624
  318    HG1  THR 105           1HG      THR 105 -11.962   3.969   4.804
  319   1HG2  THR 105          1HG2      THR 105 -13.152   5.818   3.121
  320   2HG2  THR 105          2HG2      THR 105 -12.209   6.320   4.526
  321   3HG2  THR 105          3HG2      THR 105 -13.865   6.894   4.324
  322    H    GLY 106           HN       GLY 106 -11.542   4.094   6.884
  323   1HA   GLY 106          1HA       GLY 106 -10.646   2.438   8.114
  324   2HA   GLY 106          2HA       GLY 106 -12.225   2.059   8.743
  325    H    GLN 107           HN       GLN 107 -12.526   2.147   5.456
  326    HA   GLN 107           HA       GLN 107 -13.018  -0.509   5.102
  327   1HB   GLN 107          2HB       GLN 107 -12.358   1.746   3.329
  328   2HB   GLN 107          3HB       GLN 107 -12.377   0.135   2.635
  329   1HG   GLN 107          2HG       GLN 107 -14.558   0.445   2.389
  330   2HG   GLN 107          3HG       GLN 107 -14.642   0.167   4.127
  331   1HE2  GLN 107          1HE2      GLN 107 -15.908   1.575   5.074
  332   2HE2  GLN 107          2HE2      GLN 107 -16.059   3.250   4.679
  333    H    GLU 108           HN       GLU 108 -11.820  -2.228   5.141
  334    HA   GLU 108           HA       GLU 108  -8.928  -1.985   5.097
  335   1HB   GLU 108          2HB       GLU 108 -10.637  -4.428   5.543
  336   2HB   GLU 108          3HB       GLU 108  -8.914  -4.308   5.818
  337   1HG   GLU 108          2HG       GLU 108  -9.212  -3.480   7.832
  338   2HG   GLU 108          3HG       GLU 108 -10.322  -2.247   7.243
  339    H    GLY 109           HN       GLY 109  -7.543  -2.944   3.655
  340   1HA   GLY 109          1HA       GLY 109  -8.169  -4.785   1.671
  341   2HA   GLY 109          2HA       GLY 109  -8.450  -3.196   0.981
  342    H    PHE 110           HN       PHE 110  -6.644  -4.502  -0.326
  343    HA   PHE 110           HA       PHE 110  -3.995  -4.113   0.757
  344   1HB   PHE 110          2HB       PHE 110  -5.210  -5.495  -1.561
  345   2HB   PHE 110          3HB       PHE 110  -3.585  -4.880  -1.793
  346    HD1  PHE 110           1HD      PHE 110  -2.182  -6.721  -1.761
  347    HD2  PHE 110           2HD      PHE 110  -5.202  -6.350   1.214
  348    HE1  PHE 110           1HE      PHE 110  -1.278  -8.696  -0.604
  349    HE2  PHE 110           2HE      PHE 110  -4.303  -8.324   2.377
  350    HZ   PHE 110           HZ       PHE 110  -2.339  -9.499   1.467
  351    H    ILE 111           HN       ILE 111  -2.416  -2.739  -0.175
  352    HA   ILE 111           HA       ILE 111  -3.346  -0.797  -2.153
  353    HB   ILE 111           HB       ILE 111  -2.617   1.119  -0.843
  354   1HG1  ILE 111          2HG1      ILE 111  -2.405  -0.490   1.655
  355   2HG1  ILE 111          3HG1      ILE 111  -1.056  -0.548   0.532
  356   1HG2  ILE 111          1HG2      ILE 111  -4.484   1.292   0.535
  357   2HG2  ILE 111          2HG2      ILE 111  -4.965   0.105  -0.675
  358   3HG2  ILE 111          3HG2      ILE 111  -4.473  -0.427   0.933
  359   1HD1  ILE 111          1HD1      ILE 111  -0.332   1.445   1.148
  360   2HD1  ILE 111          2HD1      ILE 111  -1.939   2.159   1.004
  361   3HD1  ILE 111          3HD1      ILE 111  -1.469   1.333   2.491
  362    HA   PRO 112           HA       PRO 112   0.637  -1.175  -3.949
  363   1HB   PRO 112          2HB       PRO 112   0.908   1.564  -4.576
  364   2HB   PRO 112          3HB       PRO 112   0.258   0.304  -5.624
  365   1HG   PRO 112          2HG       PRO 112  -1.174   2.298  -3.981
  366   2HG   PRO 112          3HG       PRO 112  -1.665   1.509  -5.474
  367   1HD   PRO 112          2HD       PRO 112  -2.700   0.870  -3.067
  368   2HD   PRO 112          3HD       PRO 112  -2.532  -0.300  -4.383
  369    H    PHE 113           HN       PHE 113   2.255  -1.534  -2.516
  370    HA   PHE 113           HA       PHE 113   2.802  -0.195  -0.193
  371   1HB   PHE 113          2HB       PHE 113   4.837  -1.348  -0.090
  372   2HB   PHE 113          3HB       PHE 113   3.814  -2.377  -1.085
  373    HD1  PHE 113           1HD      PHE 113   3.993  -1.053  -3.703
  374    HD2  PHE 113           2HD      PHE 113   6.998  -1.771  -0.777
  375    HE1  PHE 113           1HE      PHE 113   5.710  -1.023  -5.465
  376    HE2  PHE 113           2HE      PHE 113   8.720  -1.745  -2.533
  377    HZ   PHE 113           HZ       PHE 113   8.076  -1.371  -4.881
  378    H    ASN 114           HN       ASN 114   3.587   0.835  -3.415
  379    HA   ASN 114           HA       ASN 114   5.335   2.945  -2.379
  380   1HB   ASN 114          2HB       ASN 114   5.721   3.385  -4.857
  381   2HB   ASN 114          3HB       ASN 114   6.324   1.854  -4.233
  382   1HD2  ASN 114          1HD2      ASN 114   6.298   1.185  -6.462
  383   2HD2  ASN 114          2HD2      ASN 114   4.826   0.617  -7.166
  384    H    PHE 115           HN       PHE 115   2.457   2.984  -1.926
  385    HA   PHE 115           HA       PHE 115   1.781   5.437  -3.419
  386   1HB   PHE 115          2HB       PHE 115   0.380   2.998  -3.319
  387   2HB   PHE 115          3HB       PHE 115  -0.546   4.130  -2.350
  388    HD1  PHE 115           1HD      PHE 115  -2.311   4.938  -3.514
  389    HD2  PHE 115           2HD      PHE 115   1.403   4.452  -5.522
  390    HE1  PHE 115           1HE      PHE 115  -3.292   5.901  -5.537
  391    HE2  PHE 115           2HE      PHE 115   0.428   5.420  -7.563
  392    HZ   PHE 115           HZ       PHE 115  -1.927   6.151  -7.575
  393    H    VAL 116           HN       VAL 116   2.945   4.728  -0.559
  394    HA   VAL 116           HA       VAL 116   1.381   6.804   0.745
  395    HB   VAL 116           HB       VAL 116   1.103   5.443   2.813
  396   1HG1  VAL 116          1HG1      VAL 116  -0.604   5.802   0.882
  397   2HG1  VAL 116          2HG1      VAL 116  -0.363   4.077   0.605
  398   3HG1  VAL 116          3HG1      VAL 116  -0.956   4.644   2.166
  399   1HG2  VAL 116          1HG2      VAL 116   2.414   3.441   1.106
  400   2HG2  VAL 116          2HG2      VAL 116   2.370   3.578   2.865
  401   3HG2  VAL 116          3HG2      VAL 116   1.011   2.858   2.001
  402    H    ALA 117           HN       ALA 117   2.331   7.777   2.503
  403    HA   ALA 117           HA       ALA 117   5.047   6.983   3.244
  404   1HB   ALA 117          1HB       ALA 117   5.846   8.606   1.897
  405   2HB   ALA 117          2HB       ALA 117   4.286   9.420   1.784
  406   3HB   ALA 117          3HB       ALA 117   5.320   9.687   3.187
  407    H    LYS 118           HN       LYS 118   5.526   7.403   5.379
  408    HA   LYS 118           HA       LYS 118   3.665   7.440   7.313
  409   1HB   LYS 118          2HB       LYS 118   6.349   8.820   7.427
  410   2HB   LYS 118          3HB       LYS 118   5.366   8.440   8.834
  411   1HG   LYS 118          2HG       LYS 118   6.712   6.530   6.947
  412   2HG   LYS 118          3HG       LYS 118   7.002   6.749   8.675
  413   1HD   LYS 118          2HD       LYS 118   4.733   5.930   9.140
  414   2HD   LYS 118          3HD       LYS 118   4.480   5.679   7.414
  415   1HE   LYS 118          2HE       LYS 118   5.951   3.897   7.322
  416   2HE   LYS 118          3HE       LYS 118   6.819   4.407   8.769
  417   1HZ   LYS 118          1HZ       LYS 118   5.423   2.425   9.113
  418   2HZ   LYS 118          2HZ       LYS 118   4.047   3.344   8.764
  419   3HZ   LYS 118          3HZ       LYS 118   4.986   3.711  10.121
  420    H    ALA 119           HN       ALA 119   2.409   8.836   8.442
  421    HA   ALA 119           HA       ALA 119   1.708  11.314   7.227
  422   1HB   ALA 119          1HB       ALA 119   0.426  11.557   9.520
  423   2HB   ALA 119          2HB       ALA 119  -0.119  10.419   8.290
  424   3HB   ALA 119          3HB       ALA 119   0.825   9.847   9.670
  425    H    ASN 120           HN       ASN 120   4.289  11.712   7.554
  426    HA   ASN 120           HA       ASN 120   4.402  13.936   9.374
  427   1HB   ASN 120          2HB       ASN 120   5.150  11.558  10.478
  428   2HB   ASN 120          3HB       ASN 120   6.689  12.134   9.843
  429   1HD2  ASN 120          1HD2      ASN 120   7.731  13.747  10.860
  430   2HD2  ASN 120          2HD2      ASN 120   7.151  14.543  12.280
  Start of MODEL   19
    1    H    ASN  64           HN       ASN  64   1.317   2.921  12.856
    2    HA   ASN  64           HA       ASN  64   3.477   2.192  11.157
    3   1HB   ASN  64          2HB       ASN  64   1.402   0.121  11.789
    4   2HB   ASN  64          3HB       ASN  64   2.057   0.210  10.162
    5   1HD2  ASN  64          1HD2      ASN  64   2.326  -1.977  11.917
    6   2HD2  ASN  64          2HD2      ASN  64   4.007  -2.180  12.256
    7    H    LEU  65           HN       LEU  65   1.334   4.215  11.589
    8    HA   LEU  65           HA       LEU  65  -0.405   3.871   9.327
    9   1HB   LEU  65          2HB       LEU  65  -1.419   4.943  11.126
   10   2HB   LEU  65          3HB       LEU  65  -0.094   6.052  11.355
   11    HG   LEU  65           HG       LEU  65  -0.688   7.143   9.251
   12   1HD1  LEU  65          1HD1      LEU  65  -2.266   4.798   8.928
   13   2HD1  LEU  65          2HD1      LEU  65  -3.300   6.222   8.822
   14   3HD1  LEU  65          3HD1      LEU  65  -1.903   6.064   7.753
   15   1HD2  LEU  65          1HD2      LEU  65  -2.801   8.171  10.017
   16   2HD2  LEU  65          2HD2      LEU  65  -2.936   6.908  11.240
   17   3HD2  LEU  65          3HD2      LEU  65  -1.595   8.051  11.300
   18    H    VAL  66           HN       VAL  66  -0.426   4.918   7.504
   19    HA   VAL  66           HA       VAL  66   1.890   6.606   6.814
   20    HB   VAL  66           HB       VAL  66   1.547   5.635   4.496
   21   1HG1  VAL  66          1HG1      VAL  66   2.723   4.157   6.811
   22   2HG1  VAL  66          2HG1      VAL  66   2.842   3.512   5.173
   23   3HG1  VAL  66          3HG1      VAL  66   3.544   5.084   5.554
   24   1HG2  VAL  66          1HG2      VAL  66   0.175   3.477   6.079
   25   2HG2  VAL  66          2HG2      VAL  66  -0.606   4.559   4.926
   26   3HG2  VAL  66          3HG2      VAL  66   0.598   3.398   4.369
   27    H    ILE  67           HN       ILE  67   1.367   7.523   4.459
   28    HA   ILE  67           HA       ILE  67  -1.381   8.420   4.283
   29    HB   ILE  67           HB       ILE  67   0.740  10.127   5.275
   30   1HG1  ILE  67          2HG1      ILE  67  -2.231  10.317   4.890
   31   2HG1  ILE  67          3HG1      ILE  67  -1.371   9.930   6.350
   32   1HG2  ILE  67          1HG2      ILE  67  -0.720  11.065   2.807
   33   2HG2  ILE  67          2HG2      ILE  67   0.151  12.121   3.917
   34   3HG2  ILE  67          3HG2      ILE  67   1.024  10.890   3.004
   35   1HD1  ILE  67          1HD1      ILE  67  -0.548  12.501   5.452
   36   2HD1  ILE  67          2HD1      ILE  67  -2.312  12.425   5.492
   37   3HD1  ILE  67          3HD1      ILE  67  -1.379  12.056   6.943
   38    H    ALA  68           HN       ALA  68  -2.054   8.377   2.295
   39    HA   ALA  68           HA       ALA  68  -0.502   7.498   0.159
   40   1HB   ALA  68          1HB       ALA  68  -2.797   9.075  -0.686
   41   2HB   ALA  68          2HB       ALA  68  -2.440   7.367  -0.924
   42   3HB   ALA  68          3HB       ALA  68  -3.178   7.911   0.582
   43    H    LEU  69           HN       LEU  69   0.285   8.494  -1.699
   44    HA   LEU  69           HA       LEU  69   1.064  11.289  -1.298
   45   1HB   LEU  69          2HB       LEU  69   2.186   9.085  -3.018
   46   2HB   LEU  69          3HB       LEU  69   2.712  10.754  -3.151
   47    HG   LEU  69           HG       LEU  69   3.016   8.936  -0.759
   48   1HD1  LEU  69          1HD1      LEU  69   4.944  10.137  -2.730
   49   2HD1  LEU  69          2HD1      LEU  69   5.453   9.536  -1.153
   50   3HD1  LEU  69          3HD1      LEU  69   4.708   8.438  -2.315
   51   1HD2  LEU  69          1HD2      LEU  69   2.731  10.877   0.376
   52   2HD2  LEU  69          2HD2      LEU  69   4.424  11.092  -0.067
   53   3HD2  LEU  69          3HD2      LEU  69   3.159  11.881  -1.009
   54    H    HIS  70           HN       HIS  70  -0.829   9.228  -3.333
   55    HA   HIS  70           HA       HIS  70  -1.753  11.562  -4.807
   56   1HB   HIS  70          2HB       HIS  70  -1.712   9.860  -6.886
   57   2HB   HIS  70          3HB       HIS  70  -0.410  10.985  -6.543
   58    HD1  HIS  70           1HD      HIS  70  -0.950   7.561  -7.307
   59    HD2  HIS  70           2HD      HIS  70   1.679   9.630  -4.849
   60    HE1  HIS  70           1HE      HIS  70   0.945   5.968  -6.862
   61    HE2  HIS  70           2HE      HIS  70   2.471   7.206  -5.285
   62    H    SER  71           HN       SER  71  -3.529  10.592  -6.493
   63    HA   SER  71           HA       SER  71  -5.533   9.451  -4.760
   64   1HB   SER  71          2HB       SER  71  -6.087   9.779  -7.659
   65   2HB   SER  71          3HB       SER  71  -7.070  10.229  -6.266
   66    HG   SER  71           HG       SER  71  -5.634  11.826  -7.730
   67    H    TYR  72           HN       TYR  72  -6.020   7.365  -4.590
   68    HA   TYR  72           HA       TYR  72  -4.873   5.521  -6.579
   69   1HB   TYR  72          2HB       TYR  72  -4.218   5.203  -4.194
   70   2HB   TYR  72          3HB       TYR  72  -5.898   4.849  -3.820
   71    HD1  TYR  72           1HD      TYR  72  -3.746   3.770  -6.675
   72    HD2  TYR  72           2HD      TYR  72  -6.030   2.598  -3.286
   73    HE1  TYR  72           1HE      TYR  72  -3.391   1.410  -7.258
   74    HE2  TYR  72           2HE      TYR  72  -5.676   0.235  -3.856
   75    HH   TYR  72           HH       TYR  72  -5.157  -1.110  -5.873
   76    H    GLU  73           HN       GLU  73  -6.035   3.872  -7.495
   77    HA   GLU  73           HA       GLU  73  -8.918   3.800  -7.062
   78   1HB   GLU  73          2HB       GLU  73  -7.606   4.826  -9.346
   79   2HB   GLU  73          3HB       GLU  73  -8.423   3.349  -9.808
   80   1HG   GLU  73          2HG       GLU  73 -10.521   4.197  -9.108
   81   2HG   GLU  73          3HG       GLU  73  -9.756   5.567  -8.303
   82    HA   PRO  74           HA       PRO  74  -7.301  -0.413  -6.312
   83   1HB   PRO  74          2HB       PRO  74 -10.079  -1.127  -6.102
   84   2HB   PRO  74          3HB       PRO  74  -8.878  -0.997  -4.817
   85   1HG   PRO  74          2HG       PRO  74 -10.906   0.953  -5.693
   86   2HG   PRO  74          3HG       PRO  74 -10.090   0.799  -4.128
   87   1HD   PRO  74          2HD       PRO  74  -9.521   2.808  -5.847
   88   2HD   PRO  74          3HD       PRO  74  -8.275   2.070  -4.814
   89    H    SER  75           HN       SER  75  -6.634  -1.421  -8.088
   90    HA   SER  75           HA       SER  75  -8.595  -1.995 -10.209
   91   1HB   SER  75          2HB       SER  75  -5.680  -2.285 -10.740
   92   2HB   SER  75          3HB       SER  75  -6.969  -1.727 -11.806
   93    HG   SER  75           HG       SER  75  -5.624  -0.297  -9.773
   94    H    HIS  76           HN       HIS  76  -6.239  -3.318  -8.011
   95    HA   HIS  76           HA       HIS  76  -6.373  -5.978  -9.142
   96   1HB   HIS  76          2HB       HIS  76  -4.878  -4.678  -6.903
   97   2HB   HIS  76          3HB       HIS  76  -5.069  -6.428  -6.878
   98    HD1  HIS  76           1HD      HIS  76  -3.289  -7.670  -8.058
   99    HD2  HIS  76           2HD      HIS  76  -3.688  -3.797  -9.508
  100    HE1  HIS  76           1HE      HIS  76  -1.462  -7.400  -9.765
  101    HE2  HIS  76           2HE      HIS  76  -1.664  -5.016 -10.557
  102    H    ASP  77           HN       ASP  77  -6.799  -7.828  -7.542
  103    HA   ASP  77           HA       ASP  77  -9.461  -7.460  -6.499
  104   1HB   ASP  77          2HB       ASP  77  -8.216  -9.574  -7.648
  105   2HB   ASP  77          3HB       ASP  77  -8.033  -9.993  -5.947
  106    H    GLY  78           HN       GLY  78 -10.123  -7.534  -4.373
  107   1HA   GLY  78          1HA       GLY  78  -9.963  -7.267  -2.092
  108   2HA   GLY  78          2HA       GLY  78  -8.546  -8.300  -2.183
  109    H    ASP  79           HN       ASP  79  -9.046  -5.112  -3.646
  110    HA   ASP  79           HA       ASP  79  -6.727  -4.163  -2.108
  111   1HB   ASP  79          2HB       ASP  79  -7.801  -3.302  -4.792
  112   2HB   ASP  79          3HB       ASP  79  -6.525  -2.444  -3.934
  113    H    LEU  80           HN       LEU  80  -6.712  -1.981  -1.380
  114    HA   LEU  80           HA       LEU  80  -9.402  -0.954  -0.779
  115   1HB   LEU  80          2HB       LEU  80  -8.495  -1.397   1.295
  116   2HB   LEU  80          3HB       LEU  80  -6.859  -1.062   0.775
  117    HG   LEU  80           HG       LEU  80  -7.523   1.387   0.718
  118   1HD1  LEU  80          1HD1      LEU  80  -9.459   1.653   2.542
  119   2HD1  LEU  80          2HD1      LEU  80  -9.773   1.636   0.806
  120   3HD1  LEU  80          3HD1      LEU  80 -10.008   0.170   1.759
  121   1HD2  LEU  80          1HD2      LEU  80  -7.581  -0.060   3.360
  122   2HD2  LEU  80          2HD2      LEU  80  -6.134   0.424   2.474
  123   3HD2  LEU  80          3HD2      LEU  80  -7.221   1.650   3.128
  124    H    GLY  81           HN       GLY  81  -9.949   1.007  -1.525
  125   1HA   GLY  81          1HA       GLY  81  -7.914   2.501  -3.001
  126   2HA   GLY  81          2HA       GLY  81  -9.647   2.723  -3.138
  127    H    PHE  82           HN       PHE  82  -7.482   4.669  -2.675
  128    HA   PHE  82           HA       PHE  82  -8.726   6.006  -0.413
  129   1HB   PHE  82          2HB       PHE  82  -6.316   6.626   0.358
  130   2HB   PHE  82          3HB       PHE  82  -7.010   5.085   0.838
  131    HD1  PHE  82           1HD      PHE  82  -6.449   3.053  -0.681
  132    HD2  PHE  82           2HD      PHE  82  -4.251   6.690  -0.654
  133    HE1  PHE  82           1HE      PHE  82  -4.520   1.891  -1.673
  134    HE2  PHE  82           2HE      PHE  82  -2.309   5.530  -1.641
  135    HZ   PHE  82           HZ       PHE  82  -2.448   3.128  -2.149
  136    H    GLU  83           HN       GLU  83  -7.526   8.235  -0.137
  137    HA   GLU  83           HA       GLU  83  -7.345   9.371  -2.844
  138   1HB   GLU  83          2HB       GLU  83  -8.696  10.174  -0.396
  139   2HB   GLU  83          3HB       GLU  83  -7.704  11.464  -1.054
  140   1HG   GLU  83          2HG       GLU  83  -9.012  10.469  -3.263
  141   2HG   GLU  83          3HG       GLU  83 -10.225  10.388  -1.988
  142    H    LYS  84           HN       LYS  84  -6.065  11.546  -2.778
  143    HA   LYS  84           HA       LYS  84  -3.384  10.890  -2.017
  144   1HB   LYS  84          2HB       LYS  84  -3.481  12.115  -3.988
  145   2HB   LYS  84          3HB       LYS  84  -4.715  13.197  -3.375
  146   1HG   LYS  84          2HG       LYS  84  -2.804  13.964  -1.751
  147   2HG   LYS  84          3HG       LYS  84  -1.760  13.263  -2.986
  148   1HD   LYS  84          2HD       LYS  84  -3.933  15.166  -3.755
  149   2HD   LYS  84          3HD       LYS  84  -2.405  15.778  -3.119
  150   1HE   LYS  84          2HE       LYS  84  -1.404  14.121  -4.918
  151   2HE   LYS  84          3HE       LYS  84  -2.978  14.365  -5.675
  152   1HZ   LYS  84          1HZ       LYS  84  -1.122  15.926  -6.348
  153   2HZ   LYS  84          2HZ       LYS  84  -1.286  16.636  -4.821
  154   3HZ   LYS  84          3HZ       LYS  84  -2.587  16.646  -5.902
  155    H    GLY  85           HN       GLY  85  -2.353  11.393  -0.187
  156   1HA   GLY  85          1HA       GLY  85  -1.843  12.554   1.779
  157   2HA   GLY  85          2HA       GLY  85  -3.222  13.615   1.481
  158    H    GLU  86           HN       GLU  86  -4.612  10.791   1.012
  159    HA   GLU  86           HA       GLU  86  -6.030  10.694   3.404
  160   1HB   GLU  86          2HB       GLU  86  -6.272   9.513   0.972
  161   2HB   GLU  86          3HB       GLU  86  -5.684   8.160   1.918
  162   1HG   GLU  86          2HG       GLU  86  -8.302   9.051   1.648
  163   2HG   GLU  86          3HG       GLU  86  -7.699   7.785   2.696
  164    H    GLN  87           HN       GLN  87  -6.078   8.786   4.888
  165    HA   GLN  87           HA       GLN  87  -3.351   7.813   5.396
  166   1HB   GLN  87          2HB       GLN  87  -5.312   8.402   7.593
  167   2HB   GLN  87          3HB       GLN  87  -3.589   8.104   7.724
  168   1HG   GLN  87          2HG       GLN  87  -3.037  10.219   7.255
  169   2HG   GLN  87          3HG       GLN  87  -4.320  10.399   6.063
  170   1HE2  GLN  87          1HE2      GLN  87  -4.055   9.855   9.563
  171   2HE2  GLN  87          2HE2      GLN  87  -5.224  11.046  10.010
  172    H    LEU  88           HN       LEU  88  -3.111   5.811   6.221
  173    HA   LEU  88           HA       LEU  88  -5.434   4.096   6.619
  174   1HB   LEU  88          2HB       LEU  88  -3.324   2.952   4.888
  175   2HB   LEU  88          3HB       LEU  88  -5.038   2.601   4.946
  176    HG   LEU  88           HG       LEU  88  -4.454   5.276   3.917
  177   1HD1  LEU  88          1HD1      LEU  88  -3.802   3.160   1.971
  178   2HD1  LEU  88          2HD1      LEU  88  -3.188   4.808   2.110
  179   3HD1  LEU  88          3HD1      LEU  88  -2.562   3.541   3.168
  180   1HD2  LEU  88          1HD2      LEU  88  -5.897   2.995   2.608
  181   2HD2  LEU  88          2HD2      LEU  88  -6.629   3.953   3.903
  182   3HD2  LEU  88          3HD2      LEU  88  -6.150   4.731   2.390
  183    H    ARG  89           HN       ARG  89  -5.089   2.790   8.261
  184    HA   ARG  89           HA       ARG  89  -2.503   2.725   9.496
  185   1HB   ARG  89          2HB       ARG  89  -4.327   2.888  10.989
  186   2HB   ARG  89          3HB       ARG  89  -5.202   1.586  10.194
  187   1HG   ARG  89          2HG       ARG  89  -3.631  -0.021  10.999
  188   2HG   ARG  89          3HG       ARG  89  -2.627   1.252  11.679
  189   1HD   ARG  89          2HD       ARG  89  -4.741   1.903  12.987
  190   2HD   ARG  89          3HD       ARG  89  -5.307   0.291  12.588
  191    HE   ARG  89           HE       ARG  89  -2.676   0.410  13.776
  192   1HH1  ARG  89          2HH1      ARG  89  -6.104   0.089  14.359
  193   2HH1  ARG  89          1HH1      ARG  89  -5.897  -0.685  15.895
  194   1HH2  ARG  89          2HH2      ARG  89  -2.404  -0.608  15.796
  195   2HH2  ARG  89          1HH2      ARG  89  -3.797  -1.078  16.711
  196    H    ILE  90           HN       ILE  90  -1.068   1.522   8.485
  197    HA   ILE  90           HA       ILE  90  -1.558  -0.660   6.840
  198    HB   ILE  90           HB       ILE  90   1.010  -0.191   8.355
  199   1HG1  ILE  90          2HG1      ILE  90   0.214   1.851   7.201
  200   2HG1  ILE  90          3HG1      ILE  90   1.705   1.237   6.524
  201   1HG2  ILE  90          1HG2      ILE  90   1.216  -1.096   5.622
  202   2HG2  ILE  90          2HG2      ILE  90   1.902  -1.790   7.093
  203   3HG2  ILE  90          3HG2      ILE  90   0.261  -2.210   6.600
  204   1HD1  ILE  90          1HD1      ILE  90   0.719   1.411   4.547
  205   2HD1  ILE  90          2HD1      ILE  90  -0.261   0.022   5.016
  206   3HD1  ILE  90          3HD1      ILE  90  -0.867   1.658   5.278
  207    H    LEU  91           HN       LEU  91  -2.406  -2.486   7.317
  208    HA   LEU  91           HA       LEU  91  -2.288  -3.663   9.947
  209   1HB   LEU  91          2HB       LEU  91  -3.307  -4.895   7.390
  210   2HB   LEU  91          3HB       LEU  91  -3.753  -5.319   9.033
  211    HG   LEU  91           HG       LEU  91  -4.414  -2.733   7.623
  212   1HD1  LEU  91          1HD1      LEU  91  -6.789  -3.617   8.002
  213   2HD1  LEU  91          2HD1      LEU  91  -5.834  -4.273   6.672
  214   3HD1  LEU  91          3HD1      LEU  91  -6.010  -5.195   8.165
  215   1HD2  LEU  91          1HD2      LEU  91  -4.620  -1.891   9.674
  216   2HD2  LEU  91          2HD2      LEU  91  -6.019  -2.948   9.861
  217   3HD2  LEU  91          3HD2      LEU  91  -4.434  -3.475  10.426
  218    H    GLU  92           HN       GLU  92  -1.136  -4.349   6.700
  219    HA   GLU  92           HA       GLU  92   1.147  -5.761   7.800
  220   1HB   GLU  92          2HB       GLU  92  -1.036  -7.129   6.593
  221   2HB   GLU  92          3HB       GLU  92   0.345  -7.230   5.506
  222   1HG   GLU  92          2HG       GLU  92   1.184  -8.839   6.757
  223   2HG   GLU  92          3HG       GLU  92   1.335  -7.679   8.081
  224    H    GLN  93           HN       GLN  93   2.974  -5.369   6.711
  225    HA   GLN  93           HA       GLN  93   2.728  -3.898   4.187
  226   1HB   GLN  93          2HB       GLN  93   5.032  -2.944   5.036
  227   2HB   GLN  93          3HB       GLN  93   3.510  -2.246   5.559
  228   1HG   GLN  93          2HG       GLN  93   3.596  -3.692   7.543
  229   2HG   GLN  93          3HG       GLN  93   5.171  -4.226   7.011
  230   1HE2  GLN  93          1HE2      GLN  93   3.699  -1.014   7.060
  231   2HE2  GLN  93          2HE2      GLN  93   4.918  -0.276   8.034
  232    H    SER  94           HN       SER  94   2.974  -6.698   4.365
  233    HA   SER  94           HA       SER  94   5.747  -7.234   3.611
  234   1HB   SER  94          2HB       SER  94   4.227  -9.594   3.391
  235   2HB   SER  94          3HB       SER  94   5.359  -9.171   4.672
  236    HG   SER  94           HG       SER  94   3.608  -8.171   5.766
  237    H    GLY  95           HN       GLY  95   6.322  -7.244   1.549
  238   1HA   GLY  95          1HA       GLY  95   6.145  -7.846  -0.726
  239   2HA   GLY  95          2HA       GLY  95   4.432  -8.133  -0.487
  240    H    GLU  96           HN       GLU  96   5.520  -6.794  -2.648
  241    HA   GLU  96           HA       GLU  96   5.678  -4.059  -2.604
  242   1HB   GLU  96          2HB       GLU  96   6.116  -4.814  -4.688
  243   2HB   GLU  96          3HB       GLU  96   4.926  -6.104  -4.575
  244   1HG   GLU  96          2HG       GLU  96   3.167  -4.619  -5.029
  245   2HG   GLU  96          3HG       GLU  96   4.241  -3.224  -4.969
  246    H    TRP  97           HN       TRP  97   2.894  -5.990  -1.956
  247    HA   TRP  97           HA       TRP  97   1.194  -3.593  -2.100
  248   1HB   TRP  97          2HB       TRP  97   0.581  -6.514  -2.461
  249   2HB   TRP  97          3HB       TRP  97  -0.685  -5.359  -2.062
  250    HD1  TRP  97           1HD      TRP  97   1.709  -6.313  -4.892
  251    HE1  TRP  97           1HE      TRP  97   0.914  -5.183  -7.064
  252    HE3  TRP  97           3HE      TRP  97  -2.018  -3.394  -2.972
  253    HZ2  TRP  97           2HZ      TRP  97  -1.034  -3.299  -7.856
  254    HZ3  TRP  97           3HZ      TRP  97  -3.296  -1.956  -4.495
  255    HH2  TRP  97           2HH      TRP  97  -2.813  -1.906  -6.888
  256    H    TRP  98           HN       TRP  98   0.848  -2.705  -0.172
  257    HA   TRP  98           HA       TRP  98   1.079  -4.346   2.230
  258   1HB   TRP  98          2HB       TRP  98   1.039  -1.368   1.796
  259   2HB   TRP  98          3HB       TRP  98   0.968  -2.100   3.392
  260    HD1  TRP  98           1HD      TRP  98   3.170  -4.198   1.373
  261    HE1  TRP  98           1HE      TRP  98   5.643  -3.661   1.847
  262    HE3  TRP  98           3HE      TRP  98   2.557   0.205   3.848
  263    HZ2  TRP  98           2HZ      TRP  98   7.138  -1.604   3.098
  264    HZ3  TRP  98           3HZ      TRP  98   4.544   1.415   4.647
  265    HH2  TRP  98           2HH      TRP  98   6.792   0.523   4.284
  266    H    LYS  99           HN       LYS  99  -0.495  -4.683   3.675
  267    HA   LYS  99           HA       LYS  99  -3.224  -4.118   2.867
  268   1HB   LYS  99          2HB       LYS  99  -2.727  -6.346   3.731
  269   2HB   LYS  99          3HB       LYS  99  -2.073  -5.654   5.205
  270   1HG   LYS  99          2HG       LYS  99  -4.461  -6.650   5.210
  271   2HG   LYS  99          3HG       LYS  99  -4.148  -5.131   6.051
  272   1HD   LYS  99          2HD       LYS  99  -5.157  -3.862   4.418
  273   2HD   LYS  99          3HD       LYS  99  -5.059  -5.143   3.208
  274   1HE   LYS  99          2HE       LYS  99  -6.570  -6.065   5.459
  275   2HE   LYS  99          3HE       LYS  99  -7.213  -4.518   4.915
  276   1HZ   LYS  99          1HZ       LYS  99  -8.310  -5.745   3.426
  277   2HZ   LYS  99          2HZ       LYS  99  -7.316  -7.096   3.643
  278   3HZ   LYS  99          3HZ       LYS  99  -6.837  -5.856   2.599
  279    H    ALA 100           HN       ALA 100  -4.067  -2.184   3.416
  280    HA   ALA 100           HA       ALA 100  -3.249  -1.040   6.008
  281   1HB   ALA 100          1HB       ALA 100  -2.648   0.109   3.691
  282   2HB   ALA 100          2HB       ALA 100  -4.275   0.767   3.892
  283   3HB   ALA 100          3HB       ALA 100  -3.052   1.043   5.134
  284    H    GLN 101           HN       GLN 101  -4.768  -0.148   7.323
  285    HA   GLN 101           HA       GLN 101  -7.554  -0.642   6.526
  286   1HB   GLN 101          2HB       GLN 101  -7.019  -1.898   8.501
  287   2HB   GLN 101          3HB       GLN 101  -6.290  -0.504   9.272
  288   1HG   GLN 101          2HG       GLN 101  -8.579   0.538   9.084
  289   2HG   GLN 101          3HG       GLN 101  -9.185  -1.061   8.730
  290   1HE2  GLN 101          1HE2      GLN 101  -7.605   0.946  11.119
  291   2HE2  GLN 101          2HE2      GLN 101  -7.984  -0.039  12.486
  292    H    SER 102           HN       SER 102  -8.445   1.147   5.809
  293    HA   SER 102           HA       SER 102  -7.495   3.708   6.024
  294   1HB   SER 102          2HB       SER 102  -9.903   2.392   5.142
  295   2HB   SER 102          3HB       SER 102 -10.275   3.913   5.907
  296    HG   SER 102           HG       SER 102  -9.466   4.934   4.266
  297    H    LEU 103           HN       LEU 103  -8.573   5.561   7.192
  298    HA   LEU 103           HA       LEU 103  -9.302   4.711   9.918
  299   1HB   LEU 103          2HB       LEU 103  -7.399   6.839   9.031
  300   2HB   LEU 103          3HB       LEU 103  -8.121   6.849  10.628
  301    HG   LEU 103           HG       LEU 103  -7.220   4.284  10.482
  302   1HD1  LEU 103          1HD1      LEU 103  -5.408   6.006   8.837
  303   2HD1  LEU 103          2HD1      LEU 103  -4.849   4.541   9.647
  304   3HD1  LEU 103          3HD1      LEU 103  -6.123   4.446   8.430
  305   1HD2  LEU 103          1HD2      LEU 103  -5.328   6.411  11.385
  306   2HD2  LEU 103          2HD2      LEU 103  -6.862   6.173  12.223
  307   3HD2  LEU 103          3HD2      LEU 103  -5.701   4.846  12.117
  308    H    THR 104           HN       THR 104  -9.973   6.799   7.272
  309    HA   THR 104           HA       THR 104 -11.767   8.498   8.771
  310    HB   THR 104           HB       THR 104 -11.700   8.277   5.777
  311    HG1  THR 104           1HG      THR 104  -9.771   9.556   7.414
  312   1HG2  THR 104          1HG2      THR 104 -13.257   9.842   6.470
  313   2HG2  THR 104          2HG2      THR 104 -11.825  10.789   6.056
  314   3HG2  THR 104          3HG2      THR 104 -12.203  10.453   7.746
  315    H    THR 105           HN       THR 105 -11.839   5.854   6.522
  316    HA   THR 105           HA       THR 105 -14.734   5.460   6.879
  317    HB   THR 105           HB       THR 105 -14.784   4.631   4.759
  318    HG1  THR 105           1HG      THR 105 -12.046   3.965   4.876
  319   1HG2  THR 105          1HG2      THR 105 -12.305   6.301   4.609
  320   2HG2  THR 105          2HG2      THR 105 -13.966   6.874   4.440
  321   3HG2  THR 105          3HG2      THR 105 -13.276   5.796   3.225
  322    H    GLY 106           HN       GLY 106 -11.600   4.068   6.955
  323   1HA   GLY 106          1HA       GLY 106 -10.695   2.419   8.193
  324   2HA   GLY 106          2HA       GLY 106 -12.271   2.036   8.827
  325    H    GLN 107           HN       GLN 107 -12.581   2.133   5.540
  326    HA   GLN 107           HA       GLN 107 -13.073  -0.523   5.180
  327   1HB   GLN 107          2HB       GLN 107 -12.415   1.735   3.409
  328   2HB   GLN 107          3HB       GLN 107 -12.444   0.125   2.713
  329   1HG   GLN 107          2HG       GLN 107 -14.625   0.454   2.475
  330   2HG   GLN 107          3HG       GLN 107 -14.701   0.157   4.210
  331   1HE2  GLN 107          1HE2      GLN 107 -14.070   2.797   1.924
  332   2HE2  GLN 107          2HE2      GLN 107 -14.938   4.001   2.809
  333    H    GLU 108           HN       GLU 108 -11.874  -2.248   5.179
  334    HA   GLU 108           HA       GLU 108  -8.981  -1.992   5.135
  335   1HB   GLU 108          2HB       GLU 108 -10.735  -4.393   5.627
  336   2HB   GLU 108          3HB       GLU 108  -8.992  -4.378   5.767
  337   1HG   GLU 108          2HG       GLU 108  -9.095  -3.597   7.818
  338   2HG   GLU 108          3HG       GLU 108 -10.126  -2.258   7.325
  339    H    GLY 109           HN       GLY 109  -7.597  -3.003   3.715
  340   1HA   GLY 109          1HA       GLY 109  -8.229  -4.802   1.702
  341   2HA   GLY 109          2HA       GLY 109  -8.490  -3.204   1.024
  342    H    PHE 110           HN       PHE 110  -6.676  -4.527  -0.276
  343    HA   PHE 110           HA       PHE 110  -4.041  -4.106   0.852
  344   1HB   PHE 110          2HB       PHE 110  -5.206  -5.614  -1.408
  345   2HB   PHE 110          3HB       PHE 110  -3.586  -4.993  -1.652
  346    HD1  PHE 110           1HD      PHE 110  -2.034  -6.668  -1.379
  347    HD2  PHE 110           2HD      PHE 110  -5.352  -6.466   1.281
  348    HE1  PHE 110           1HE      PHE 110  -1.124  -8.566  -0.107
  349    HE2  PHE 110           2HE      PHE 110  -4.445  -8.366   2.559
  350    HZ   PHE 110           HZ       PHE 110  -2.329  -9.417   1.865
  351    H    ILE 111           HN       ILE 111  -2.541  -2.649   0.084
  352    HA   ILE 111           HA       ILE 111  -3.413  -0.818  -2.047
  353    HB   ILE 111           HB       ILE 111  -2.578   1.107  -0.775
  354   1HG1  ILE 111          2HG1      ILE 111  -2.507  -0.535   1.725
  355   2HG1  ILE 111          3HG1      ILE 111  -1.115  -0.552   0.655
  356   1HG2  ILE 111          1HG2      ILE 111  -4.580  -0.284   0.964
  357   2HG2  ILE 111          2HG2      ILE 111  -4.481   1.420   0.517
  358   3HG2  ILE 111          3HG2      ILE 111  -4.981   0.225  -0.677
  359   1HD1  ILE 111          1HD1      ILE 111  -0.553   1.590   1.110
  360   2HD1  ILE 111          2HD1      ILE 111  -2.217   2.080   1.434
  361   3HD1  ILE 111          3HD1      ILE 111  -1.317   1.155   2.638
  362    HA   PRO 112           HA       PRO 112   0.578  -1.243  -3.805
  363   1HB   PRO 112          2HB       PRO 112   0.886   1.411  -4.607
  364   2HB   PRO 112          3HB       PRO 112   0.090   0.141  -5.540
  365   1HG   PRO 112          2HG       PRO 112  -1.107   2.260  -3.835
  366   2HG   PRO 112          3HG       PRO 112  -1.715   1.541  -5.326
  367   1HD   PRO 112          2HD       PRO 112  -2.708   0.912  -2.918
  368   2HD   PRO 112          3HD       PRO 112  -2.619  -0.257  -4.240
  369    H    PHE 113           HN       PHE 113   2.349  -1.443  -2.552
  370    HA   PHE 113           HA       PHE 113   2.846   0.027  -0.241
  371   1HB   PHE 113          2HB       PHE 113   4.843  -1.164  -0.041
  372   2HB   PHE 113          3HB       PHE 113   3.817  -2.240  -0.982
  373    HD1  PHE 113           1HD      PHE 113   6.983  -1.815  -0.680
  374    HD2  PHE 113           2HD      PHE 113   4.078  -0.941  -3.664
  375    HE1  PHE 113           1HE      PHE 113   8.729  -1.928  -2.409
  376    HE2  PHE 113           2HE      PHE 113   5.818  -1.054  -5.398
  377    HZ   PHE 113           HZ       PHE 113   8.148  -1.548  -4.771
  378    H    ASN 114           HN       ASN 114   3.437   0.911  -3.507
  379    HA   ASN 114           HA       ASN 114   5.326   3.000  -2.684
  380   1HB   ASN 114          2HB       ASN 114   5.560   3.313  -5.209
  381   2HB   ASN 114          3HB       ASN 114   6.195   1.815  -4.536
  382   1HD2  ASN 114          1HD2      ASN 114   4.291   3.153  -6.905
  383   2HD2  ASN 114          2HD2      ASN 114   3.450   1.732  -7.413
  384    H    PHE 115           HN       PHE 115   2.540   3.168  -2.019
  385    HA   PHE 115           HA       PHE 115   1.745   5.513  -3.625
  386   1HB   PHE 115          2HB       PHE 115   0.363   3.129  -3.270
  387   2HB   PHE 115          3HB       PHE 115  -0.411   4.233  -2.148
  388    HD1  PHE 115           1HD      PHE 115  -0.137   3.175  -5.535
  389    HD2  PHE 115           2HD      PHE 115  -1.283   6.444  -3.065
  390    HE1  PHE 115           1HE      PHE 115  -1.503   4.074  -7.363
  391    HE2  PHE 115           2HE      PHE 115  -2.648   7.348  -4.892
  392    HZ   PHE 115           HZ       PHE 115  -2.759   6.168  -7.051
  393    H    VAL 116           HN       VAL 116   2.069   4.099  -0.439
  394    HA   VAL 116           HA       VAL 116   1.110   6.593   0.771
  395    HB   VAL 116           HB       VAL 116   0.908   5.296   2.858
  396   1HG1  VAL 116          1HG1      VAL 116  -0.667   3.610   1.097
  397   2HG1  VAL 116          2HG1      VAL 116  -1.184   4.804   2.288
  398   3HG1  VAL 116          3HG1      VAL 116  -0.744   5.317   0.659
  399   1HG2  VAL 116          1HG2      VAL 116   2.370   3.334   1.310
  400   2HG2  VAL 116          2HG2      VAL 116   2.071   3.395   3.046
  401   3HG2  VAL 116          3HG2      VAL 116   0.885   2.655   1.971
  402    H    ALA 117           HN       ALA 117   2.179   7.611   2.409
  403    HA   ALA 117           HA       ALA 117   4.925   6.808   3.024
  404   1HB   ALA 117          1HB       ALA 117   4.253   9.667   2.364
  405   2HB   ALA 117          2HB       ALA 117   5.844   8.931   2.557
  406   3HB   ALA 117          3HB       ALA 117   4.855   8.538   1.151
  407    H    LYS 118           HN       LYS 118   5.495   7.236   5.134
  408    HA   LYS 118           HA       LYS 118   3.720   7.331   7.145
  409   1HB   LYS 118          2HB       LYS 118   6.431   8.663   7.119
  410   2HB   LYS 118          3HB       LYS 118   5.504   8.329   8.575
  411   1HG   LYS 118          2HG       LYS 118   6.740   6.364   6.671
  412   2HG   LYS 118          3HG       LYS 118   7.086   6.597   8.386
  413   1HD   LYS 118          2HD       LYS 118   4.829   5.818   8.938
  414   2HD   LYS 118          3HD       LYS 118   4.499   5.572   7.224
  415   1HE   LYS 118          2HE       LYS 118   6.395   3.964   7.150
  416   2HE   LYS 118          3HE       LYS 118   6.561   4.142   8.897
  417   1HZ   LYS 118          1HZ       LYS 118   4.572   2.693   7.361
  418   2HZ   LYS 118          2HZ       LYS 118   3.973   3.548   8.692
  419   3HZ   LYS 118          3HZ       LYS 118   5.182   2.385   8.909
  420    H    ALA 119           HN       ALA 119   2.535   8.758   8.308
  421    HA   ALA 119           HA       ALA 119   1.826  11.234   7.090
  422   1HB   ALA 119          1HB       ALA 119   0.632  11.508   9.435
  423   2HB   ALA 119          2HB       ALA 119   0.017  10.391   8.219
  424   3HB   ALA 119          3HB       ALA 119   0.995   9.789   9.563
  425    H    ASN 120           HN       ASN 120   4.411  11.600   7.315
  426    HA   ASN 120           HA       ASN 120   4.633  13.717   9.301
  427   1HB   ASN 120          2HB       ASN 120   6.948  12.894   9.921
  428   2HB   ASN 120          3HB       ASN 120   5.609  11.934  10.541
  429   1HD2  ASN 120          1HD2      ASN 120   6.967  10.144  10.775
  430   2HD2  ASN 120          2HD2      ASN 120   7.474   9.206   9.415
  Start of MODEL   20
    1    H    ASN  64           HN       ASN  64   1.328   2.867  12.830
    2    HA   ASN  64           HA       ASN  64   3.493   2.194  11.105
    3   1HB   ASN  64          2HB       ASN  64   1.422   0.107  11.702
    4   2HB   ASN  64          3HB       ASN  64   2.098   0.219  10.083
    5   1HD2  ASN  64          1HD2      ASN  64   2.340  -1.968  11.883
    6   2HD2  ASN  64          2HD2      ASN  64   4.023  -2.177  12.214
    7    H    LEU  65           HN       LEU  65   1.294   4.175  11.595
    8    HA   LEU  65           HA       LEU  65  -0.432   3.861   9.324
    9   1HB   LEU  65          2HB       LEU  65  -1.444   4.904  11.142
   10   2HB   LEU  65          3HB       LEU  65  -0.123   6.019  11.380
   11    HG   LEU  65           HG       LEU  65  -0.732   7.134   9.297
   12   1HD1  LEU  65          1HD1      LEU  65  -2.280   4.779   8.933
   13   2HD1  LEU  65          2HD1      LEU  65  -3.338   6.187   8.862
   14   3HD1  LEU  65          3HD1      LEU  65  -1.945   6.076   7.782
   15   1HD2  LEU  65          1HD2      LEU  65  -2.981   6.847  11.278
   16   2HD2  LEU  65          2HD2      LEU  65  -1.650   8.001  11.361
   17   3HD2  LEU  65          3HD2      LEU  65  -2.854   8.133  10.079
   18    H    VAL  66           HN       VAL  66  -0.460   4.947   7.513
   19    HA   VAL  66           HA       VAL  66   1.854   6.644   6.852
   20    HB   VAL  66           HB       VAL  66   1.520   5.704   4.521
   21   1HG1  VAL  66          1HG1      VAL  66   2.632   4.042   6.759
   22   2HG1  VAL  66          2HG1      VAL  66   2.903   3.684   5.052
   23   3HG1  VAL  66          3HG1      VAL  66   3.498   5.195   5.742
   24   1HG2  VAL  66          1HG2      VAL  66   0.637   3.387   4.451
   25   2HG2  VAL  66          2HG2      VAL  66   0.059   3.609   6.103
   26   3HG2  VAL  66          3HG2      VAL  66  -0.590   4.605   4.800
   27    H    ILE  67           HN       ILE  67   1.346   7.570   4.501
   28    HA   ILE  67           HA       ILE  67  -1.393   8.469   4.282
   29    HB   ILE  67           HB       ILE  67   0.689  10.157   5.370
   30   1HG1  ILE  67          2HG1      ILE  67  -2.261  10.372   4.859
   31   2HG1  ILE  67          3HG1      ILE  67  -1.462   9.963   6.350
   32   1HG2  ILE  67          1HG2      ILE  67   0.179  12.172   4.013
   33   2HG2  ILE  67          2HG2      ILE  67   1.074  10.944   3.119
   34   3HG2  ILE  67          3HG2      ILE  67  -0.658  11.141   2.854
   35   1HD1  ILE  67          1HD1      ILE  67  -2.354  12.475   5.484
   36   2HD1  ILE  67          2HD1      ILE  67  -1.480  12.084   6.966
   37   3HD1  ILE  67          3HD1      ILE  67  -0.589  12.540   5.513
   38    H    ALA  68           HN       ALA  68  -2.019   8.485   2.267
   39    HA   ALA  68           HA       ALA  68  -0.328   7.671   0.171
   40   1HB   ALA  68          1HB       ALA  68  -2.792   9.010  -0.661
   41   2HB   ALA  68          2HB       ALA  68  -2.218   7.374  -0.987
   42   3HB   ALA  68          3HB       ALA  68  -3.019   7.740   0.541
   43    H    LEU  69           HN       LEU  69   0.299   8.725  -1.727
   44    HA   LEU  69           HA       LEU  69   0.530  11.656  -1.503
   45   1HB   LEU  69          2HB       LEU  69   2.503   9.634  -2.554
   46   2HB   LEU  69          3HB       LEU  69   2.669  11.362  -2.810
   47    HG   LEU  69           HG       LEU  69   2.640   9.999  -0.114
   48   1HD1  LEU  69          1HD1      LEU  69   4.728   9.451  -0.940
   49   2HD1  LEU  69          2HD1      LEU  69   4.845  10.917  -1.916
   50   3HD1  LEU  69          3HD1      LEU  69   5.050  11.002  -0.167
   51   1HD2  LEU  69          1HD2      LEU  69   3.366  12.240   0.689
   52   2HD2  LEU  69          2HD2      LEU  69   3.026  12.879  -0.920
   53   3HD2  LEU  69          3HD2      LEU  69   1.720  12.209   0.057
   54    H    HIS  70           HN       HIS  70  -1.273   9.580  -3.007
   55    HA   HIS  70           HA       HIS  70  -1.678  11.177  -5.324
   56   1HB   HIS  70          2HB       HIS  70  -1.245   8.692  -6.582
   57   2HB   HIS  70          3HB       HIS  70  -0.316  10.169  -6.793
   58    HD1  HIS  70           1HD      HIS  70   1.965   9.126  -7.025
   59    HD2  HIS  70           2HD      HIS  70  -0.008   7.899  -3.585
   60    HE1  HIS  70           1HE      HIS  70   3.683   7.889  -5.674
   61    HE2  HIS  70           2HE      HIS  70   2.512   7.326  -3.519
   62    H    SER  71           HN       SER  71  -3.681  10.804  -6.232
   63    HA   SER  71           HA       SER  71  -5.611   9.468  -4.717
   64   1HB   SER  71          2HB       SER  71  -6.142   9.779  -7.622
   65   2HB   SER  71          3HB       SER  71  -7.126  10.256  -6.239
   66    HG   SER  71           HG       SER  71  -5.912  12.078  -6.001
   67    H    TYR  72           HN       TYR  72  -6.105   7.384  -4.525
   68    HA   TYR  72           HA       TYR  72  -4.965   5.520  -6.490
   69   1HB   TYR  72          2HB       TYR  72  -4.365   5.249  -4.069
   70   2HB   TYR  72          3HB       TYR  72  -6.045   4.848  -3.759
   71    HD1  TYR  72           1HD      TYR  72  -6.154   2.601  -3.242
   72    HD2  TYR  72           2HD      TYR  72  -3.738   3.829  -6.518
   73    HE1  TYR  72           1HE      TYR  72  -5.714   0.248  -3.792
   74    HE2  TYR  72           2HE      TYR  72  -3.298   1.480  -7.081
   75    HH   TYR  72           HH       TYR  72  -4.617  -0.790  -6.647
   76    H    GLU  73           HN       GLU  73  -6.112   3.877  -7.409
   77    HA   GLU  73           HA       GLU  73  -8.999   3.793  -7.016
   78   1HB   GLU  73          2HB       GLU  73  -7.658   4.825  -9.286
   79   2HB   GLU  73          3HB       GLU  73  -8.474   3.350  -9.755
   80   1HG   GLU  73          2HG       GLU  73 -10.578   4.202  -9.092
   81   2HG   GLU  73          3HG       GLU  73  -9.825   5.562  -8.257
   82    HA   PRO  74           HA       PRO  74  -7.380  -0.408  -6.200
   83   1HB   PRO  74          2HB       PRO  74 -10.183  -1.112  -6.188
   84   2HB   PRO  74          3HB       PRO  74  -9.051  -1.048  -4.837
   85   1HG   PRO  74          2HG       PRO  74 -11.007   0.957  -5.726
   86   2HG   PRO  74          3HG       PRO  74 -10.234   0.760  -4.145
   87   1HD   PRO  74          2HD       PRO  74  -9.603   2.799  -5.808
   88   2HD   PRO  74          3HD       PRO  74  -8.394   2.028  -4.754
   89    H    SER  75           HN       SER  75  -6.744  -1.756  -7.719
   90    HA   SER  75           HA       SER  75  -8.480  -2.208 -10.055
   91   1HB   SER  75          2HB       SER  75  -5.593  -1.543  -9.898
   92   2HB   SER  75          3HB       SER  75  -6.050  -2.771 -11.078
   93    HG   SER  75           HG       SER  75  -6.207  -0.800 -12.080
   94    H    HIS  76           HN       HIS  76  -6.006  -3.563  -7.917
   95    HA   HIS  76           HA       HIS  76  -6.354  -6.234  -8.937
   96   1HB   HIS  76          2HB       HIS  76  -4.579  -4.889  -7.016
   97   2HB   HIS  76          3HB       HIS  76  -5.023  -6.527  -6.551
   98    HD1  HIS  76           1HD      HIS  76  -3.936  -4.929  -9.842
   99    HD2  HIS  76           2HD      HIS  76  -3.148  -8.235  -7.450
  100    HE1  HIS  76           1HE      HIS  76  -2.165  -6.234 -11.061
  101    HE2  HIS  76           2HE      HIS  76  -1.642  -8.183  -9.552
  102    H    ASP  77           HN       ASP  77  -7.014  -8.046  -7.561
  103    HA   ASP  77           HA       ASP  77  -9.523  -7.544  -6.329
  104   1HB   ASP  77          2HB       ASP  77  -8.472  -9.713  -7.498
  105   2HB   ASP  77          3HB       ASP  77  -8.127 -10.120  -5.819
  106    H    GLY  78           HN       GLY  78 -10.099  -7.392  -4.215
  107   1HA   GLY  78          1HA       GLY  78  -9.887  -7.229  -1.926
  108   2HA   GLY  78          2HA       GLY  78  -8.438  -8.212  -2.056
  109    H    ASP  79           HN       ASP  79  -8.976  -5.107  -3.645
  110    HA   ASP  79           HA       ASP  79  -6.692  -4.052  -2.133
  111   1HB   ASP  79          2HB       ASP  79  -7.852  -3.235  -4.797
  112   2HB   ASP  79          3HB       ASP  79  -6.571  -2.350  -3.974
  113    H    LEU  80           HN       LEU  80  -6.730  -1.879  -1.408
  114    HA   LEU  80           HA       LEU  80  -9.434  -0.918  -0.764
  115   1HB   LEU  80          2HB       LEU  80  -8.492  -1.347   1.296
  116   2HB   LEU  80          3HB       LEU  80  -6.870  -0.987   0.754
  117    HG   LEU  80           HG       LEU  80  -7.550   1.450   0.721
  118   1HD1  LEU  80          1HD1      LEU  80 -10.031   0.214   1.750
  119   2HD1  LEU  80          2HD1      LEU  80  -9.494   1.701   2.536
  120   3HD1  LEU  80          3HD1      LEU  80  -9.801   1.681   0.798
  121   1HD2  LEU  80          1HD2      LEU  80  -7.314   1.686   3.167
  122   2HD2  LEU  80          2HD2      LEU  80  -7.567  -0.051   3.333
  123   3HD2  LEU  80          3HD2      LEU  80  -6.151   0.555   2.473
  124    H    GLY  81           HN       GLY  81 -10.030   1.052  -1.456
  125   1HA   GLY  81          1HA       GLY  81  -8.070   2.579  -2.994
  126   2HA   GLY  81          2HA       GLY  81  -9.808   2.785  -3.061
  127    H    PHE  82           HN       PHE  82  -7.546   4.680  -2.622
  128    HA   PHE  82           HA       PHE  82  -8.757   6.077  -0.380
  129   1HB   PHE  82          2HB       PHE  82  -6.316   6.660   0.357
  130   2HB   PHE  82          3HB       PHE  82  -7.062   5.163   0.893
  131    HD1  PHE  82           1HD      PHE  82  -4.213   6.595  -0.581
  132    HD2  PHE  82           2HD      PHE  82  -6.609   3.079  -0.632
  133    HE1  PHE  82           1HE      PHE  82  -2.319   5.320  -1.522
  134    HE2  PHE  82           2HE      PHE  82  -4.728   1.811  -1.577
  135    HZ   PHE  82           HZ       PHE  82  -2.582   2.927  -2.016
  136    H    GLU  83           HN       GLU  83  -7.531   8.291  -0.146
  137    HA   GLU  83           HA       GLU  83  -7.313   9.372  -2.875
  138   1HB   GLU  83          2HB       GLU  83  -8.678  10.239  -0.456
  139   2HB   GLU  83          3HB       GLU  83  -7.666  11.503  -1.133
  140   1HG   GLU  83          2HG       GLU  83  -8.973  10.462  -3.328
  141   2HG   GLU  83          3HG       GLU  83 -10.194  10.447  -2.056
  142    H    LYS  84           HN       LYS  84  -5.989  11.514  -2.865
  143    HA   LYS  84           HA       LYS  84  -3.335  10.837  -2.046
  144   1HB   LYS  84          2HB       LYS  84  -3.390  12.045  -4.036
  145   2HB   LYS  84          3HB       LYS  84  -4.597  13.169  -3.437
  146   1HG   LYS  84          2HG       LYS  84  -2.669  13.878  -1.800
  147   2HG   LYS  84          3HG       LYS  84  -1.644  13.152  -3.036
  148   1HD   LYS  84          2HD       LYS  84  -3.750  14.999  -3.973
  149   2HD   LYS  84          3HD       LYS  84  -2.412  15.720  -3.079
  150   1HE   LYS  84          2HE       LYS  84  -0.843  14.559  -4.628
  151   2HE   LYS  84          3HE       LYS  84  -2.236  14.031  -5.570
  152   1HZ   LYS  84          1HZ       LYS  84  -2.422  16.022  -6.522
  153   2HZ   LYS  84          2HZ       LYS  84  -0.865  16.336  -5.943
  154   3HZ   LYS  84          3HZ       LYS  84  -2.213  16.859  -5.066
  155    H    GLY  85           HN       GLY  85  -2.332  11.341  -0.209
  156   1HA   GLY  85          1HA       GLY  85  -1.824  12.535   1.740
  157   2HA   GLY  85          2HA       GLY  85  -3.204  13.586   1.425
  158    H    GLU  86           HN       GLU  86  -4.642  10.814   0.975
  159    HA   GLU  86           HA       GLU  86  -6.045  10.720   3.367
  160   1HB   GLU  86          2HB       GLU  86  -6.290   9.520   0.944
  161   2HB   GLU  86          3HB       GLU  86  -5.708   8.172   1.902
  162   1HG   GLU  86          2HG       GLU  86  -8.322   9.069   1.620
  163   2HG   GLU  86          3HG       GLU  86  -7.724   7.812   2.683
  164    H    GLN  87           HN       GLN  87  -6.100   8.826   4.868
  165    HA   GLN  87           HA       GLN  87  -3.372   7.862   5.393
  166   1HB   GLN  87          2HB       GLN  87  -5.355   8.422   7.577
  167   2HB   GLN  87          3HB       GLN  87  -3.627   8.155   7.716
  168   1HG   GLN  87          2HG       GLN  87  -3.114  10.281   7.249
  169   2HG   GLN  87          3HG       GLN  87  -4.397  10.438   6.055
  170   1HE2  GLN  87          1HE2      GLN  87  -3.787  10.301   9.526
  171   2HE2  GLN  87          2HE2      GLN  87  -5.112  11.311   9.984
  172    H    LEU  88           HN       LEU  88  -3.126   5.858   6.224
  173    HA   LEU  88           HA       LEU  88  -5.442   4.128   6.587
  174   1HB   LEU  88          2HB       LEU  88  -3.304   3.013   4.868
  175   2HB   LEU  88          3HB       LEU  88  -5.013   2.636   4.914
  176    HG   LEU  88           HG       LEU  88  -4.443   5.324   3.898
  177   1HD1  LEU  88          1HD1      LEU  88  -2.557   3.581   3.136
  178   2HD1  LEU  88          2HD1      LEU  88  -3.801   3.221   1.937
  179   3HD1  LEU  88          3HD1      LEU  88  -3.177   4.864   2.092
  180   1HD2  LEU  88          1HD2      LEU  88  -5.916   3.010   2.667
  181   2HD2  LEU  88          2HD2      LEU  88  -6.629   4.086   3.877
  182   3HD2  LEU  88          3HD2      LEU  88  -6.111   4.732   2.317
  183    H    ARG  89           HN       ARG  89  -5.105   2.814   8.225
  184    HA   ARG  89           HA       ARG  89  -2.533   2.754   9.488
  185   1HB   ARG  89          2HB       ARG  89  -4.373   2.898  10.963
  186   2HB   ARG  89          3HB       ARG  89  -5.232   1.596  10.149
  187   1HG   ARG  89          2HG       ARG  89  -3.632  -0.002  10.953
  188   2HG   ARG  89          3HG       ARG  89  -2.680   1.282  11.679
  189   1HD   ARG  89          2HD       ARG  89  -4.791   1.862  12.977
  190   2HD   ARG  89          3HD       ARG  89  -5.387   0.289  12.480
  191    HE   ARG  89           HE       ARG  89  -2.799   0.431  13.829
  192   1HH1  ARG  89          2HH1      ARG  89  -6.190  -0.417  13.971
  193   2HH1  ARG  89          1HH1      ARG  89  -6.005  -1.412  15.375
  194   1HH2  ARG  89          2HH2      ARG  89  -2.568  -0.875  15.675
  195   2HH2  ARG  89          1HH2      ARG  89  -3.953  -1.671  16.343
  196    H    ILE  90           HN       ILE  90  -1.084   1.573   8.457
  197    HA   ILE  90           HA       ILE  90  -1.559  -0.619   6.820
  198    HB   ILE  90           HB       ILE  90   1.008  -0.110   8.325
  199   1HG1  ILE  90          2HG1      ILE  90   0.218   1.913   7.161
  200   2HG1  ILE  90          3HG1      ILE  90   1.682   1.279   6.441
  201   1HG2  ILE  90          1HG2      ILE  90   1.986  -1.620   6.997
  202   2HG2  ILE  90          2HG2      ILE  90   0.346  -2.209   6.721
  203   3HG2  ILE  90          3HG2      ILE  90   1.084  -1.091   5.574
  204   1HD1  ILE  90          1HD1      ILE  90   0.685   1.230   4.473
  205   2HD1  ILE  90          2HD1      ILE  90  -0.530   0.119   5.104
  206   3HD1  ILE  90          3HD1      ILE  90  -0.790   1.860   5.205
  207    H    LEU  91           HN       LEU  91  -2.426  -2.437   7.330
  208    HA   LEU  91           HA       LEU  91  -2.282  -3.587   9.970
  209   1HB   LEU  91          2HB       LEU  91  -3.327  -4.876   7.454
  210   2HB   LEU  91          3HB       LEU  91  -3.786  -5.225   9.109
  211    HG   LEU  91           HG       LEU  91  -4.400  -2.680   7.611
  212   1HD1  LEU  91          1HD1      LEU  91  -5.906  -4.066   6.663
  213   2HD1  LEU  91          2HD1      LEU  91  -5.919  -5.181   8.029
  214   3HD1  LEU  91          3HD1      LEU  91  -6.802  -3.654   8.126
  215   1HD2  LEU  91          1HD2      LEU  91  -4.692  -1.775   9.621
  216   2HD2  LEU  91          2HD2      LEU  91  -6.041  -2.886   9.852
  217   3HD2  LEU  91          3HD2      LEU  91  -4.431  -3.323  10.424
  218    H    GLU  92           HN       GLU  92  -1.166  -4.320   6.726
  219    HA   GLU  92           HA       GLU  92   1.139  -5.717   7.802
  220   1HB   GLU  92          2HB       GLU  92  -1.076  -7.089   6.602
  221   2HB   GLU  92          3HB       GLU  92   0.338  -7.249   5.567
  222   1HG   GLU  92          2HG       GLU  92   1.106  -8.834   6.895
  223   2HG   GLU  92          3HG       GLU  92   1.227  -7.646   8.196
  224    H    GLN  93           HN       GLN  93   2.904  -5.815   6.293
  225    HA   GLN  93           HA       GLN  93   2.531  -4.196   3.894
  226   1HB   GLN  93          2HB       GLN  93   4.934  -3.294   4.654
  227   2HB   GLN  93          3HB       GLN  93   3.432  -2.491   5.066
  228   1HG   GLN  93          2HG       GLN  93   3.403  -3.749   7.173
  229   2HG   GLN  93          3HG       GLN  93   4.966  -4.403   6.744
  230   1HE2  GLN  93          1HE2      GLN  93   6.405  -2.396   5.850
  231   2HE2  GLN  93          2HE2      GLN  93   6.554  -1.131   7.017
  232    H    SER  94           HN       SER  94   2.810  -7.003   4.083
  233    HA   SER  94           HA       SER  94   5.538  -7.604   3.322
  234   1HB   SER  94          2HB       SER  94   4.949  -9.576   4.185
  235   2HB   SER  94          3HB       SER  94   3.254  -9.105   4.250
  236    HG   SER  94           HG       SER  94   4.658 -10.332   2.119
  237    H    GLY  95           HN       GLY  95   6.277  -7.764   1.302
  238   1HA   GLY  95          1HA       GLY  95   6.271  -7.928  -1.013
  239   2HA   GLY  95          2HA       GLY  95   4.566  -8.321  -0.932
  240    H    GLU  96           HN       GLU  96   5.580  -6.797  -2.915
  241    HA   GLU  96           HA       GLU  96   5.697  -4.076  -2.711
  242   1HB   GLU  96          2HB       GLU  96   6.087  -4.668  -4.848
  243   2HB   GLU  96          3HB       GLU  96   4.951  -6.010  -4.781
  244   1HG   GLU  96          2HG       GLU  96   3.125  -4.578  -5.102
  245   2HG   GLU  96          3HG       GLU  96   4.141  -3.144  -4.976
  246    H    TRP  97           HN       TRP  97   2.921  -6.058  -2.150
  247    HA   TRP  97           HA       TRP  97   1.211  -3.668  -2.168
  248   1HB   TRP  97          2HB       TRP  97   0.613  -6.585  -2.572
  249   2HB   TRP  97          3HB       TRP  97  -0.653  -5.449  -2.118
  250    HD1  TRP  97           1HD      TRP  97   1.666  -6.338  -5.027
  251    HE1  TRP  97           1HE      TRP  97   0.823  -5.150  -7.150
  252    HE3  TRP  97           3HE      TRP  97  -1.993  -3.446  -2.941
  253    HZ2  TRP  97           2HZ      TRP  97  -1.132  -3.233  -7.844
  254    HZ3  TRP  97           3HZ      TRP  97  -3.301  -1.963  -4.395
  255    HH2  TRP  97           2HH      TRP  97  -2.875  -1.854  -6.797
  256    H    TRP  98           HN       TRP  98   0.837  -2.812  -0.241
  257    HA   TRP  98           HA       TRP  98   1.109  -4.475   2.148
  258   1HB   TRP  98          2HB       TRP  98   1.064  -1.488   1.767
  259   2HB   TRP  98          3HB       TRP  98   1.085  -2.270   3.340
  260    HD1  TRP  98           1HD      TRP  98   3.199  -4.361   1.286
  261    HE1  TRP  98           1HE      TRP  98   5.688  -3.766   1.582
  262    HE3  TRP  98           3HE      TRP  98   2.648   0.147   3.563
  263    HZ2  TRP  98           2HZ      TRP  98   7.216  -1.622   2.644
  264    HZ3  TRP  98           3HZ      TRP  98   4.656   1.430   4.189
  265    HH2  TRP  98           2HH      TRP  98   6.896   0.557   3.740
  266    H    LYS  99           HN       LYS  99  -0.440  -4.644   3.708
  267    HA   LYS  99           HA       LYS  99  -3.173  -4.101   2.862
  268   1HB   LYS  99          2HB       LYS  99  -2.706  -6.325   3.746
  269   2HB   LYS  99          3HB       LYS  99  -2.043  -5.628   5.214
  270   1HG   LYS  99          2HG       LYS  99  -4.443  -6.593   5.227
  271   2HG   LYS  99          3HG       LYS  99  -4.110  -5.071   6.055
  272   1HD   LYS  99          2HD       LYS  99  -5.111  -3.804   4.417
  273   2HD   LYS  99          3HD       LYS  99  -5.016  -5.092   3.212
  274   1HE   LYS  99          2HE       LYS  99  -6.542  -5.994   5.461
  275   2HE   LYS  99          3HE       LYS  99  -7.174  -4.445   4.911
  276   1HZ   LYS  99          1HZ       LYS  99  -7.289  -7.026   3.647
  277   2HZ   LYS  99          2HZ       LYS  99  -6.800  -5.792   2.600
  278   3HZ   LYS  99          3HZ       LYS  99  -8.273  -5.669   3.422
  279    H    ALA 100           HN       ALA 100  -4.044  -2.186   3.410
  280    HA   ALA 100           HA       ALA 100  -3.227  -1.006   5.985
  281   1HB   ALA 100          1HB       ALA 100  -3.060   1.082   5.099
  282   2HB   ALA 100          2HB       ALA 100  -2.598   0.133   3.683
  283   3HB   ALA 100          3HB       ALA 100  -4.243   0.763   3.827
  284    H    GLN 101           HN       GLN 101  -4.760  -0.115   7.285
  285    HA   GLN 101           HA       GLN 101  -7.541  -0.609   6.465
  286   1HB   GLN 101          2HB       GLN 101  -7.030  -1.887   8.430
  287   2HB   GLN 101          3HB       GLN 101  -6.295  -0.508   9.221
  288   1HG   GLN 101          2HG       GLN 101  -8.575   0.554   9.041
  289   2HG   GLN 101          3HG       GLN 101  -9.191  -1.035   8.657
  290   1HE2  GLN 101          1HE2      GLN 101  -7.633   0.930  11.092
  291   2HE2  GLN 101          2HE2      GLN 101  -8.022  -0.079  12.439
  292    H    SER 102           HN       SER 102  -8.428   1.193   5.765
  293    HA   SER 102           HA       SER 102  -7.476   3.749   6.016
  294   1HB   SER 102          2HB       SER 102  -9.886   2.447   5.116
  295   2HB   SER 102          3HB       SER 102 -10.252   3.964   5.895
  296    HG   SER 102           HG       SER 102  -9.512   3.734   3.476
  297    H    LEU 103           HN       LEU 103  -8.591   5.587   7.184
  298    HA   LEU 103           HA       LEU 103  -9.313   4.721   9.906
  299   1HB   LEU 103          2HB       LEU 103  -7.421   6.867   9.035
  300   2HB   LEU 103          3HB       LEU 103  -8.138   6.855  10.631
  301    HG   LEU 103           HG       LEU 103  -7.221   4.298  10.458
  302   1HD1  LEU 103          1HD1      LEU 103  -4.853   4.581   9.618
  303   2HD1  LEU 103          2HD1      LEU 103  -6.131   4.485   8.404
  304   3HD1  LEU 103          3HD1      LEU 103  -5.428   6.047   8.822
  305   1HD2  LEU 103          1HD2      LEU 103  -5.339   6.426  11.374
  306   2HD2  LEU 103          2HD2      LEU 103  -6.871   6.176  12.214
  307   3HD2  LEU 103          3HD2      LEU 103  -5.705   4.853  12.094
  308    H    THR 104           HN       THR 104  -9.974   6.826   7.268
  309    HA   THR 104           HA       THR 104 -11.786   8.505   8.765
  310    HB   THR 104           HB       THR 104 -11.692   8.311   5.771
  311    HG1  THR 104           1HG      THR 104  -9.888   9.607   5.744
  312   1HG2  THR 104          1HG2      THR 104 -12.216  10.467   7.756
  313   2HG2  THR 104          2HG2      THR 104 -13.257   9.866   6.463
  314   3HG2  THR 104          3HG2      THR 104 -11.825  10.822   6.074
  315    H    THR 105           HN       THR 105 -11.828   5.886   6.485
  316    HA   THR 105           HA       THR 105 -14.723   5.478   6.806
  317    HB   THR 105           HB       THR 105 -14.742   4.659   4.681
  318    HG1  THR 105           1HG      THR 105 -12.007   3.990   4.841
  319   1HG2  THR 105          1HG2      THR 105 -13.914   6.907   4.392
  320   2HG2  THR 105          2HG2      THR 105 -13.225   5.834   3.172
  321   3HG2  THR 105          3HG2      THR 105 -12.257   6.325   4.566
  322    H    GLY 106           HN       GLY 106 -11.586   4.100   6.929
  323   1HA   GLY 106          1HA       GLY 106 -10.692   2.447   8.166
  324   2HA   GLY 106          2HA       GLY 106 -12.274   2.059   8.782
  325    H    GLN 107           HN       GLN 107 -12.588   2.152   5.506
  326    HA   GLN 107           HA       GLN 107 -13.060  -0.499   5.131
  327   1HB   GLN 107          2HB       GLN 107 -12.390   1.766   3.374
  328   2HB   GLN 107          3HB       GLN 107 -12.401   0.159   2.672
  329   1HG   GLN 107          2HG       GLN 107 -14.580   0.476   2.405
  330   2HG   GLN 107          3HG       GLN 107 -14.678   0.176   4.139
  331   1HE2  GLN 107          1HE2      GLN 107 -15.937   1.576   5.109
  332   2HE2  GLN 107          2HE2      GLN 107 -16.091   3.253   4.729
  333    H    GLU 108           HN       GLU 108 -11.860  -2.226   5.134
  334    HA   GLU 108           HA       GLU 108  -8.967  -1.967   5.112
  335   1HB   GLU 108          2HB       GLU 108 -10.701  -4.389   5.573
  336   2HB   GLU 108          3HB       GLU 108  -8.963  -4.331   5.769
  337   1HG   GLU 108          2HG       GLU 108  -9.149  -3.537   7.810
  338   2HG   GLU 108          3HG       GLU 108 -10.208  -2.236   7.279
  339    H    GLY 109           HN       GLY 109  -7.574  -2.952   3.690
  340   1HA   GLY 109          1HA       GLY 109  -8.184  -4.764   1.682
  341   2HA   GLY 109          2HA       GLY 109  -8.460  -3.170   1.001
  342    H    PHE 110           HN       PHE 110  -6.644  -4.452  -0.306
  343    HA   PHE 110           HA       PHE 110  -4.003  -4.087   0.804
  344   1HB   PHE 110          2HB       PHE 110  -5.205  -5.429  -1.539
  345   2HB   PHE 110          3HB       PHE 110  -3.589  -4.791  -1.773
  346    HD1  PHE 110           1HD      PHE 110  -5.133  -6.306   1.247
  347    HD2  PHE 110           2HD      PHE 110  -2.194  -6.643  -1.814
  348    HE1  PHE 110           1HE      PHE 110  -4.197  -8.287   2.368
  349    HE2  PHE 110           2HE      PHE 110  -1.255  -8.626  -0.699
  350    HZ   PHE 110           HZ       PHE 110  -2.257  -9.450   1.395
  351    H    ILE 111           HN       ILE 111  -2.378  -2.758  -0.205
  352    HA   ILE 111           HA       ILE 111  -3.312  -0.749  -2.099
  353    HB   ILE 111           HB       ILE 111  -2.580   1.138  -0.738
  354   1HG1  ILE 111          2HG1      ILE 111  -2.426  -0.531   1.723
  355   2HG1  ILE 111          3HG1      ILE 111  -1.059  -0.579   0.620
  356   1HG2  ILE 111          1HG2      ILE 111  -4.468  -0.410   0.994
  357   2HG2  ILE 111          2HG2      ILE 111  -4.479   1.305   0.580
  358   3HG2  ILE 111          3HG2      ILE 111  -4.939   0.106  -0.626
  359   1HD1  ILE 111          1HD1      ILE 111  -2.073   1.665   2.272
  360   2HD1  ILE 111          2HD1      ILE 111  -0.422   1.092   2.024
  361   3HD1  ILE 111          3HD1      ILE 111  -1.233   2.020   0.761
  362    HA   PRO 112           HA       PRO 112   0.685  -1.082  -3.867
  363   1HB   PRO 112          2HB       PRO 112   0.951   1.654  -4.484
  364   2HB   PRO 112          3HB       PRO 112   0.286   0.402  -5.534
  365   1HG   PRO 112          2HG       PRO 112  -1.122   2.390  -3.856
  366   2HG   PRO 112          3HG       PRO 112  -1.627   1.629  -5.362
  367   1HD   PRO 112          2HD       PRO 112  -2.655   0.953  -2.962
  368   2HD   PRO 112          3HD       PRO 112  -2.497  -0.196  -4.298
  369    H    PHE 113           HN       PHE 113   2.304  -1.438  -2.441
  370    HA   PHE 113           HA       PHE 113   2.826  -0.060  -0.114
  371   1HB   PHE 113          2HB       PHE 113   4.798  -1.293   0.070
  372   2HB   PHE 113          3HB       PHE 113   3.779  -2.303  -0.948
  373    HD1  PHE 113           1HD      PHE 113   4.104  -0.955  -3.567
  374    HD2  PHE 113           2HD      PHE 113   6.958  -1.857  -0.542
  375    HE1  PHE 113           1HE      PHE 113   5.882  -1.005  -5.266
  376    HE2  PHE 113           2HE      PHE 113   8.742  -1.911  -2.237
  377    HZ   PHE 113           HZ       PHE 113   8.204  -1.483  -4.601
  378    H    ASN 114           HN       ASN 114   3.609   0.896  -3.342
  379    HA   ASN 114           HA       ASN 114   5.431   2.961  -2.357
  380   1HB   ASN 114          2HB       ASN 114   5.417   1.359  -4.667
  381   2HB   ASN 114          3HB       ASN 114   5.212   3.027  -5.171
  382   1HD2  ASN 114          1HD2      ASN 114   7.135   3.617  -5.911
  383   2HD2  ASN 114          2HD2      ASN 114   8.624   3.480  -5.045
  384    H    PHE 115           HN       PHE 115   2.572   3.112  -1.922
  385    HA   PHE 115           HA       PHE 115   1.945   5.493  -3.545
  386   1HB   PHE 115          2HB       PHE 115   0.468   3.119  -3.222
  387   2HB   PHE 115          3HB       PHE 115  -0.383   4.347  -2.300
  388    HD1  PHE 115           1HD      PHE 115  -2.229   4.914  -3.514
  389    HD2  PHE 115           2HD      PHE 115   1.520   4.613  -5.491
  390    HE1  PHE 115           1HE      PHE 115  -3.252   5.779  -5.562
  391    HE2  PHE 115           2HE      PHE 115   0.504   5.482  -7.557
  392    HZ   PHE 115           HZ       PHE 115  -1.889   6.069  -7.596
  393    H    VAL 116           HN       VAL 116   2.481   4.300  -0.379
  394    HA   VAL 116           HA       VAL 116   1.330   6.776   0.726
  395    HB   VAL 116           HB       VAL 116   0.939   5.526   2.835
  396   1HG1  VAL 116          1HG1      VAL 116  -0.566   4.145   0.663
  397   2HG1  VAL 116          2HG1      VAL 116  -1.148   4.806   2.191
  398   3HG1  VAL 116          3HG1      VAL 116  -0.716   5.890   0.870
  399   1HG2  VAL 116          1HG2      VAL 116   2.032   3.572   3.036
  400   2HG2  VAL 116          2HG2      VAL 116   0.716   2.902   2.071
  401   3HG2  VAL 116          3HG2      VAL 116   2.218   3.396   1.291
  402    H    ALA 117           HN       ALA 117   2.319   7.745   2.468
  403    HA   ALA 117           HA       ALA 117   4.991   6.819   3.235
  404   1HB   ALA 117          1HB       ALA 117   4.762   8.783   1.393
  405   2HB   ALA 117          2HB       ALA 117   4.727   9.735   2.877
  406   3HB   ALA 117          3HB       ALA 117   6.092   8.670   2.545
  407    H    LYS 118           HN       LYS 118   5.534   7.313   5.358
  408    HA   LYS 118           HA       LYS 118   3.694   7.388   7.314
  409   1HB   LYS 118          2HB       LYS 118   6.387   8.753   7.356
  410   2HB   LYS 118          3HB       LYS 118   5.420   8.432   8.789
  411   1HG   LYS 118          2HG       LYS 118   6.745   6.455   6.961
  412   2HG   LYS 118          3HG       LYS 118   7.016   6.713   8.686
  413   1HD   LYS 118          2HD       LYS 118   4.741   5.917   9.146
  414   2HD   LYS 118          3HD       LYS 118   4.499   5.635   7.423
  415   1HE   LYS 118          2HE       LYS 118   5.309   3.585   7.718
  416   2HE   LYS 118          3HE       LYS 118   6.878   4.316   8.055
  417   1HZ   LYS 118          1HZ       LYS 118   4.864   4.036  10.192
  418   2HZ   LYS 118          2HZ       LYS 118   6.544   4.180  10.327
  419   3HZ   LYS 118          3HZ       LYS 118   5.861   2.734   9.777
  420    H    ALA 119           HN       ALA 119   2.431   8.795   8.404
  421    HA   ALA 119           HA       ALA 119   1.731  11.258   7.162
  422   1HB   ALA 119          1HB       ALA 119  -0.096  10.392   8.245
  423   2HB   ALA 119          2HB       ALA 119   0.853   9.819   9.622
  424   3HB   ALA 119          3HB       ALA 119   0.467  11.531   9.466
  425    H    ASN 120           HN       ASN 120   4.306  11.672   7.463
  426    HA   ASN 120           HA       ASN 120   4.438  13.721   9.549
  427   1HB   ASN 120          2HB       ASN 120   5.925  11.267   9.571
  428   2HB   ASN 120          3HB       ASN 120   7.040  12.612   9.353
  429   1HD2  ASN 120          1HD2      ASN 120   6.327  10.735  11.632
  430   2HD2  ASN 120          2HD2      ASN 120   6.099  11.791  12.979
  Start of MODEL   21
    1    H    ASN  64           HN       ASN  64   1.294   2.895  12.883
    2    HA   ASN  64           HA       ASN  64   3.466   2.169  11.146
    3   1HB   ASN  64          2HB       ASN  64   1.331   0.175  11.839
    4   2HB   ASN  64          3HB       ASN  64   2.005   0.199  10.216
    5   1HD2  ASN  64          1HD2      ASN  64   2.206  -1.969  11.952
    6   2HD2  ASN  64          2HD2      ASN  64   3.871  -2.203  12.344
    7    H    LEU  65           HN       LEU  65   1.252   4.187  11.624
    8    HA   LEU  65           HA       LEU  65  -0.452   3.853   9.342
    9   1HB   LEU  65          2HB       LEU  65  -1.485   4.913  11.129
   10   2HB   LEU  65          3HB       LEU  65  -0.159   6.014  11.393
   11    HG   LEU  65           HG       LEU  65  -0.723   7.137   9.300
   12   1HD1  LEU  65          1HD1      LEU  65  -3.328   6.249   8.812
   13   2HD1  LEU  65          2HD1      LEU  65  -1.912   6.062   7.775
   14   3HD1  LEU  65          3HD1      LEU  65  -2.326   4.804   8.941
   15   1HD2  LEU  65          1HD2      LEU  65  -2.831   8.170  10.058
   16   2HD2  LEU  65          2HD2      LEU  65  -3.005   6.881  11.248
   17   3HD2  LEU  65          3HD2      LEU  65  -1.651   8.007  11.360
   18    H    VAL  66           HN       VAL  66  -0.455   4.896   7.512
   19    HA   VAL  66           HA       VAL  66   1.861   6.592   6.852
   20    HB   VAL  66           HB       VAL  66   1.525   5.645   4.521
   21   1HG1  VAL  66          1HG1      VAL  66   2.630   3.977   6.760
   22   2HG1  VAL  66          2HG1      VAL  66   2.917   3.637   5.053
   23   3HG1  VAL  66          3HG1      VAL  66   3.500   5.144   5.764
   24   1HG2  VAL  66          1HG2      VAL  66   0.641   3.324   4.470
   25   2HG2  VAL  66          2HG2      VAL  66   0.057   3.564   6.116
   26   3HG2  VAL  66          3HG2      VAL  66  -0.585   4.547   4.801
   27    H    ILE  67           HN       ILE  67   1.359   7.530   4.504
   28    HA   ILE  67           HA       ILE  67  -1.380   8.435   4.307
   29    HB   ILE  67           HB       ILE  67   0.714  10.109   5.383
   30   1HG1  ILE  67          2HG1      ILE  67  -2.234  10.354   4.880
   31   2HG1  ILE  67          3HG1      ILE  67  -1.440   9.915   6.364
   32   1HG2  ILE  67          1HG2      ILE  67   0.201  12.133   4.036
   33   2HG2  ILE  67          2HG2      ILE  67   1.099  10.908   3.138
   34   3HG2  ILE  67          3HG2      ILE  67  -0.634  11.105   2.873
   35   1HD1  ILE  67          1HD1      ILE  67  -2.294  12.454   5.521
   36   2HD1  ILE  67          2HD1      ILE  67  -1.444  12.029   7.008
   37   3HD1  ILE  67          3HD1      ILE  67  -0.529  12.489   5.571
   38    H    ALA  68           HN       ALA  68  -2.021   8.349   2.313
   39    HA   ALA  68           HA       ALA  68  -0.397   7.549   0.189
   40   1HB   ALA  68          1HB       ALA  68  -2.716   8.890  -0.816
   41   2HB   ALA  68          2HB       ALA  68  -2.360   7.165  -0.756
   42   3HB   ALA  68          3HB       ALA  68  -3.140   7.953   0.616
   43    H    LEU  69           HN       LEU  69   0.214   8.602  -1.736
   44    HA   LEU  69           HA       LEU  69   0.582  11.516  -1.472
   45   1HB   LEU  69          2HB       LEU  69   2.432   9.428  -2.611
   46   2HB   LEU  69          3HB       LEU  69   2.669  11.151  -2.841
   47    HG   LEU  69           HG       LEU  69   2.649   9.740  -0.167
   48   1HD1  LEU  69          1HD1      LEU  69   4.684   9.107  -1.058
   49   2HD1  LEU  69          2HD1      LEU  69   4.845  10.580  -2.018
   50   3HD1  LEU  69          3HD1      LEU  69   5.103  10.630  -0.275
   51   1HD2  LEU  69          1HD2      LEU  69   1.839  11.997   0.046
   52   2HD2  LEU  69          2HD2      LEU  69   3.492  11.922   0.660
   53   3HD2  LEU  69          3HD2      LEU  69   3.172  12.611  -0.930
   54    H    HIS  70           HN       HIS  70  -1.252   9.421  -3.032
   55    HA   HIS  70           HA       HIS  70  -1.691  11.124  -5.280
   56   1HB   HIS  70          2HB       HIS  70  -1.294   8.649  -6.591
   57   2HB   HIS  70          3HB       HIS  70  -0.385  10.138  -6.811
   58    HD1  HIS  70           1HD      HIS  70   1.895   9.100  -7.118
   59    HD2  HIS  70           2HD      HIS  70   0.032   7.852  -3.627
   60    HE1  HIS  70           1HE      HIS  70   3.660   7.875  -5.822
   61    HE2  HIS  70           2HE      HIS  70   2.557   7.295  -3.636
   62    H    SER  71           HN       SER  71  -3.698  10.783  -6.208
   63    HA   SER  71           HA       SER  71  -5.650   9.471  -4.707
   64   1HB   SER  71          2HB       SER  71  -6.163   9.769  -7.616
   65   2HB   SER  71          3HB       SER  71  -7.146  10.269  -6.241
   66    HG   SER  71           HG       SER  71  -5.993  11.937  -7.611
   67    H    TYR  72           HN       TYR  72  -6.152   7.394  -4.497
   68    HA   TYR  72           HA       TYR  72  -5.027   5.509  -6.449
   69   1HB   TYR  72          2HB       TYR  72  -4.462   5.247  -4.013
   70   2HB   TYR  72          3HB       TYR  72  -6.146   4.843  -3.733
   71    HD1  TYR  72           1HD      TYR  72  -6.252   2.595  -3.213
   72    HD2  TYR  72           2HD      TYR  72  -3.802   3.831  -6.462
   73    HE1  TYR  72           1HE      TYR  72  -5.798   0.244  -3.760
   74    HE2  TYR  72           2HE      TYR  72  -3.351   1.483  -7.021
   75    HH   TYR  72           HH       TYR  72  -5.110  -1.102  -5.638
   76    H    GLU  73           HN       GLU  73  -6.176   3.878  -7.374
   77    HA   GLU  73           HA       GLU  73  -9.063   3.803  -7.008
   78   1HB   GLU  73          2HB       GLU  73  -7.710   4.859  -9.258
   79   2HB   GLU  73          3HB       GLU  73  -8.518   3.387  -9.749
   80   1HG   GLU  73          2HG       GLU  73 -10.627   4.224  -9.110
   81   2HG   GLU  73          3HG       GLU  73  -9.894   5.563  -8.228
   82    HA   PRO  74           HA       PRO  74  -7.466  -0.409  -6.212
   83   1HB   PRO  74          2HB       PRO  74 -10.277  -1.096  -6.268
   84   2HB   PRO  74          3HB       PRO  74  -9.168  -1.069  -4.898
   85   1HG   PRO  74          2HG       PRO  74 -11.095   0.968  -5.773
   86   2HG   PRO  74          3HG       PRO  74 -10.337   0.739  -4.189
   87   1HD   PRO  74          2HD       PRO  74  -9.678   2.800  -5.818
   88   2HD   PRO  74          3HD       PRO  74  -8.486   2.007  -4.759
   89    H    SER  75           HN       SER  75  -6.853  -1.821  -7.683
   90    HA   SER  75           HA       SER  75  -8.533  -2.239 -10.063
   91   1HB   SER  75          2HB       SER  75  -6.039  -1.019 -10.080
   92   2HB   SER  75          3HB       SER  75  -5.687  -2.685 -10.540
   93    HG   SER  75           HG       SER  75  -7.304  -0.781 -11.828
   94    H    HIS  76           HN       HIS  76  -5.996  -3.573  -7.972
   95    HA   HIS  76           HA       HIS  76  -6.361  -6.246  -8.984
   96   1HB   HIS  76          2HB       HIS  76  -4.609  -4.946  -6.954
   97   2HB   HIS  76          3HB       HIS  76  -4.908  -6.672  -6.783
   98    HD1  HIS  76           1HD      HIS  76  -3.612  -8.213  -8.284
   99    HD2  HIS  76           2HD      HIS  76  -3.320  -4.233  -9.441
  100    HE1  HIS  76           1HE      HIS  76  -1.864  -8.165 -10.091
  101    HE2  HIS  76           2HE      HIS  76  -1.638  -5.733 -10.709
  102    H    ASP  77           HN       ASP  77  -7.220  -8.013  -7.844
  103    HA   ASP  77           HA       ASP  77  -9.591  -7.524  -6.441
  104   1HB   ASP  77          2HB       ASP  77  -8.643  -9.670  -7.695
  105   2HB   ASP  77          3HB       ASP  77  -8.188 -10.126  -6.056
  106    H    GLY  78           HN       GLY  78 -10.057  -7.203  -4.353
  107   1HA   GLY  78          1HA       GLY  78  -9.824  -7.224  -2.047
  108   2HA   GLY  78          2HA       GLY  78  -8.344  -8.148  -2.242
  109    H    ASP  79           HN       ASP  79  -8.853  -5.092  -3.873
  110    HA   ASP  79           HA       ASP  79  -6.628  -3.986  -2.330
  111   1HB   ASP  79          2HB       ASP  79  -7.884  -3.190  -4.954
  112   2HB   ASP  79          3HB       ASP  79  -6.695  -2.187  -4.127
  113    H    LEU  80           HN       LEU  80  -6.705  -1.772  -1.620
  114    HA   LEU  80           HA       LEU  80  -9.419  -0.931  -0.852
  115   1HB   LEU  80          2HB       LEU  80  -8.507  -1.324   1.199
  116   2HB   LEU  80          3HB       LEU  80  -6.867  -1.096   0.636
  117    HG   LEU  80           HG       LEU  80  -7.523   1.428   0.563
  118   1HD1  LEU  80          1HD1      LEU  80  -9.106   1.694   2.681
  119   2HD1  LEU  80          2HD1      LEU  80  -9.738   1.621   1.035
  120   3HD1  LEU  80          3HD1      LEU  80  -9.761   0.181   2.052
  121   1HD2  LEU  80          1HD2      LEU  80  -7.212   1.247   3.259
  122   2HD2  LEU  80          2HD2      LEU  80  -6.609  -0.321   2.722
  123   3HD2  LEU  80          3HD2      LEU  80  -5.900   1.160   2.082
  124    H    GLY  81           HN       GLY  81 -10.081   1.027  -1.511
  125   1HA   GLY  81          1HA       GLY  81  -8.188   2.642  -3.037
  126   2HA   GLY  81          2HA       GLY  81  -9.931   2.812  -3.055
  127    H    PHE  82           HN       PHE  82  -7.651   4.712  -2.604
  128    HA   PHE  82           HA       PHE  82  -8.857   6.081  -0.344
  129   1HB   PHE  82          2HB       PHE  82  -6.410   6.639   0.404
  130   2HB   PHE  82          3HB       PHE  82  -7.177   5.149   0.934
  131    HD1  PHE  82           1HD      PHE  82  -6.740   3.062  -0.577
  132    HD2  PHE  82           2HD      PHE  82  -4.307   6.552  -0.546
  133    HE1  PHE  82           1HE      PHE  82  -4.874   1.769  -1.517
  134    HE2  PHE  82           2HE      PHE  82  -2.428   5.254  -1.483
  135    HZ   PHE  82           HZ       PHE  82  -2.717   2.861  -1.965
  136    H    GLU  83           HN       GLU  83  -7.621   8.287  -0.081
  137    HA   GLU  83           HA       GLU  83  -7.404   9.393  -2.798
  138   1HB   GLU  83          2HB       GLU  83  -8.708  10.263  -0.351
  139   2HB   GLU  83          3HB       GLU  83  -7.667  11.509  -1.015
  140   1HG   GLU  83          2HG       GLU  83  -9.027  10.551  -3.215
  141   2HG   GLU  83          3HG       GLU  83 -10.235  10.545  -1.932
  142    H    LYS  84           HN       LYS  84  -6.010  11.477  -2.817
  143    HA   LYS  84           HA       LYS  84  -3.370  10.719  -2.015
  144   1HB   LYS  84          2HB       LYS  84  -3.506  11.896  -4.054
  145   2HB   LYS  84          3HB       LYS  84  -4.522  13.147  -3.359
  146   1HG   LYS  84          2HG       LYS  84  -2.527  13.755  -1.914
  147   2HG   LYS  84          3HG       LYS  84  -1.581  12.701  -2.961
  148   1HD   LYS  84          2HD       LYS  84  -2.094  14.029  -4.876
  149   2HD   LYS  84          3HD       LYS  84  -3.246  15.000  -3.961
  150   1HE   LYS  84          2HE       LYS  84  -1.302  15.670  -2.485
  151   2HE   LYS  84          3HE       LYS  84  -0.250  14.924  -3.687
  152   1HZ   LYS  84          1HZ       LYS  84  -2.210  17.033  -4.380
  153   2HZ   LYS  84          2HZ       LYS  84  -0.909  16.475  -5.306
  154   3HZ   LYS  84          3HZ       LYS  84  -0.623  17.387  -3.911
  155    H    GLY  85           HN       GLY  85  -2.314  11.237  -0.209
  156   1HA   GLY  85          1HA       GLY  85  -1.758  12.443   1.726
  157   2HA   GLY  85          2HA       GLY  85  -3.119  13.521   1.411
  158    H    GLU  86           HN       GLU  86  -4.609  10.765   1.006
  159    HA   GLU  86           HA       GLU  86  -5.999  10.723   3.411
  160   1HB   GLU  86          2HB       GLU  86  -6.283   9.507   1.001
  161   2HB   GLU  86          3HB       GLU  86  -5.715   8.157   1.964
  162   1HG   GLU  86          2HG       GLU  86  -8.315   9.094   1.694
  163   2HG   GLU  86          3HG       GLU  86  -7.731   7.835   2.761
  164    H    GLN  87           HN       GLN  87  -6.074   8.837   4.928
  165    HA   GLN  87           HA       GLN  87  -3.353   7.846   5.443
  166   1HB   GLN  87          2HB       GLN  87  -5.325   8.406   7.637
  167   2HB   GLN  87          3HB       GLN  87  -3.594   8.142   7.763
  168   1HG   GLN  87          2HG       GLN  87  -3.083  10.267   7.285
  169   2HG   GLN  87          3HG       GLN  87  -4.387  10.428   6.114
  170   1HE2  GLN  87          1HE2      GLN  87  -4.201   9.745   9.594
  171   2HE2  GLN  87          2HE2      GLN  87  -5.331  10.963  10.067
  172    H    LEU  88           HN       LEU  88  -3.113   5.840   6.234
  173    HA   LEU  88           HA       LEU  88  -5.435   4.119   6.616
  174   1HB   LEU  88          2HB       LEU  88  -3.322   2.990   4.878
  175   2HB   LEU  88          3HB       LEU  88  -5.038   2.645   4.924
  176    HG   LEU  88           HG       LEU  88  -4.432   5.330   3.931
  177   1HD1  LEU  88          1HD1      LEU  88  -3.798   3.229   1.961
  178   2HD1  LEU  88          2HD1      LEU  88  -3.174   4.871   2.116
  179   3HD1  LEU  88          3HD1      LEU  88  -2.555   3.590   3.162
  180   1HD2  LEU  88          1HD2      LEU  88  -5.957   3.010   2.766
  181   2HD2  LEU  88          2HD2      LEU  88  -6.639   4.218   3.863
  182   3HD2  LEU  88          3HD2      LEU  88  -6.058   4.703   2.268
  183    H    ARG  89           HN       ARG  89  -5.098   2.788   8.238
  184    HA   ARG  89           HA       ARG  89  -2.520   2.711   9.490
  185   1HB   ARG  89          2HB       ARG  89  -4.361   2.856  10.966
  186   2HB   ARG  89          3HB       ARG  89  -5.216   1.550  10.158
  187   1HG   ARG  89          2HG       ARG  89  -3.656  -0.050  10.972
  188   2HG   ARG  89          3HG       ARG  89  -2.639   1.220  11.635
  189   1HD   ARG  89          2HD       ARG  89  -4.777   1.885  12.936
  190   2HD   ARG  89          3HD       ARG  89  -5.288   0.241  12.597
  191    HE   ARG  89           HE       ARG  89  -3.094   1.083  14.323
  192   1HH1  ARG  89          2HH1      ARG  89  -4.837  -1.551  12.823
  193   2HH1  ARG  89          1HH1      ARG  89  -4.220  -2.742  13.916
  194   1HH2  ARG  89          2HH2      ARG  89  -2.283  -0.489  15.753
  195   2HH2  ARG  89          1HH2      ARG  89  -2.773  -2.142  15.577
  196    H    ILE  90           HN       ILE  90  -1.079   1.529   8.472
  197    HA   ILE  90           HA       ILE  90  -1.540  -0.640   6.803
  198    HB   ILE  90           HB       ILE  90   1.003  -0.133   8.350
  199   1HG1  ILE  90          2HG1      ILE  90   0.191   1.874   7.150
  200   2HG1  ILE  90          3HG1      ILE  90   1.702   1.272   6.502
  201   1HG2  ILE  90          1HG2      ILE  90   1.155  -1.121   5.609
  202   2HG2  ILE  90          2HG2      ILE  90   2.005  -1.658   7.060
  203   3HG2  ILE  90          3HG2      ILE  90   0.373  -2.239   6.728
  204   1HD1  ILE  90          1HD1      ILE  90   0.779   1.272   4.495
  205   2HD1  ILE  90          2HD1      ILE  90  -0.346   0.027   5.041
  206   3HD1  ILE  90          3HD1      ILE  90  -0.782   1.731   5.177
  207    H    LEU  91           HN       LEU  91  -2.410  -2.467   7.272
  208    HA   LEU  91           HA       LEU  91  -2.304  -3.659   9.895
  209   1HB   LEU  91          2HB       LEU  91  -3.317  -4.882   7.331
  210   2HB   LEU  91          3HB       LEU  91  -3.772  -5.306   8.970
  211    HG   LEU  91           HG       LEU  91  -4.411  -2.705   7.581
  212   1HD1  LEU  91          1HD1      LEU  91  -5.832  -4.191   6.567
  213   2HD1  LEU  91          2HD1      LEU  91  -5.992  -5.195   8.010
  214   3HD1  LEU  91          3HD1      LEU  91  -6.799  -3.625   7.930
  215   1HD2  LEU  91          1HD2      LEU  91  -4.652  -1.908   9.646
  216   2HD2  LEU  91          2HD2      LEU  91  -6.060  -2.961   9.780
  217   3HD2  LEU  91          3HD2      LEU  91  -4.490  -3.508  10.368
  218    H    GLU  92           HN       GLU  92  -1.142  -4.344   6.653
  219    HA   GLU  92           HA       GLU  92   1.123  -5.786   7.759
  220   1HB   GLU  92          2HB       GLU  92  -1.066  -7.110   6.510
  221   2HB   GLU  92          3HB       GLU  92   0.324  -7.214   5.438
  222   1HG   GLU  92          2HG       GLU  92   1.129  -8.854   6.671
  223   2HG   GLU  92          3HG       GLU  92   1.280  -7.721   8.017
  224    H    GLN  93           HN       GLN  93   2.969  -5.425   6.654
  225    HA   GLN  93           HA       GLN  93   2.728  -3.931   4.148
  226   1HB   GLN  93          2HB       GLN  93   4.998  -2.933   5.000
  227   2HB   GLN  93          3HB       GLN  93   3.464  -2.266   5.529
  228   1HG   GLN  93          2HG       GLN  93   3.608  -3.785   7.494
  229   2HG   GLN  93          3HG       GLN  93   5.231  -4.158   6.967
  230   1HE2  GLN  93          1HE2      GLN  93   6.844  -2.913   7.660
  231   2HE2  GLN  93          2HE2      GLN  93   6.662  -1.374   8.423
  232    H    SER  94           HN       SER  94   3.007  -6.729   4.355
  233    HA   SER  94           HA       SER  94   5.786  -7.230   3.596
  234   1HB   SER  94          2HB       SER  94   4.301  -9.615   3.403
  235   2HB   SER  94          3HB       SER  94   5.430  -9.164   4.678
  236    HG   SER  94           HG       SER  94   3.757  -8.389   5.885
  237    H    GLY  95           HN       GLY  95   6.347  -7.245   1.527
  238   1HA   GLY  95          1HA       GLY  95   6.152  -7.879  -0.742
  239   2HA   GLY  95          2HA       GLY  95   4.441  -8.162  -0.486
  240    H    GLU  96           HN       GLU  96   5.499  -6.843  -2.667
  241    HA   GLU  96           HA       GLU  96   5.660  -4.103  -2.634
  242   1HB   GLU  96          2HB       GLU  96   6.094  -4.867  -4.716
  243   2HB   GLU  96          3HB       GLU  96   4.907  -6.160  -4.592
  244   1HG   GLU  96          2HG       GLU  96   3.143  -4.685  -5.050
  245   2HG   GLU  96          3HG       GLU  96   4.210  -3.285  -4.995
  246    H    TRP  97           HN       TRP  97   2.884  -6.033  -1.959
  247    HA   TRP  97           HA       TRP  97   1.185  -3.636  -2.117
  248   1HB   TRP  97          2HB       TRP  97   0.582  -6.551  -2.506
  249   2HB   TRP  97          3HB       TRP  97  -0.693  -5.424  -2.053
  250    HD1  TRP  97           1HD      TRP  97   1.651  -6.282  -4.953
  251    HE1  TRP  97           1HE      TRP  97   0.802  -5.106  -7.079
  252    HE3  TRP  97           3HE      TRP  97  -2.060  -3.445  -2.884
  253    HZ2  TRP  97           2HZ      TRP  97  -1.177  -3.219  -7.782
  254    HZ3  TRP  97           3HZ      TRP  97  -3.383  -1.981  -4.345
  255    HH2  TRP  97           2HH      TRP  97  -2.946  -1.867  -6.746
  256    H    TRP  98           HN       TRP  98   1.025  -2.725  -0.174
  257    HA   TRP  98           HA       TRP  98   1.157  -4.354   2.231
  258   1HB   TRP  98          2HB       TRP  98   1.151  -1.376   1.787
  259   2HB   TRP  98          3HB       TRP  98   1.088  -2.107   3.382
  260    HD1  TRP  98           1HD      TRP  98   3.268  -4.252   1.413
  261    HE1  TRP  98           1HE      TRP  98   5.747  -3.697   1.841
  262    HE3  TRP  98           3HE      TRP  98   2.674   0.239   3.722
  263    HZ2  TRP  98           2HZ      TRP  98   7.252  -1.591   3.002
  264    HZ3  TRP  98           3HZ      TRP  98   4.666   1.482   4.458
  265    HH2  TRP  98           2HH      TRP  98   6.912   0.579   4.109
  266    H    LYS  99           HN       LYS  99  -0.450  -4.703   3.633
  267    HA   LYS  99           HA       LYS  99  -3.155  -4.075   2.801
  268   1HB   LYS  99          2HB       LYS  99  -2.707  -6.313   3.658
  269   2HB   LYS  99          3HB       LYS  99  -2.062  -5.641   5.145
  270   1HG   LYS  99          2HG       LYS  99  -4.456  -6.594   5.135
  271   2HG   LYS  99          3HG       LYS  99  -4.144  -5.061   5.954
  272   1HD   LYS  99          2HD       LYS  99  -5.111  -3.815   4.271
  273   2HD   LYS  99          3HD       LYS  99  -5.013  -5.128   3.095
  274   1HE   LYS  99          2HE       LYS  99  -6.565  -5.985   5.337
  275   2HE   LYS  99          3HE       LYS  99  -7.178  -4.434   4.771
  276   1HZ   LYS  99          1HZ       LYS  99  -6.810  -5.791   2.471
  277   2HZ   LYS  99          2HZ       LYS  99  -8.284  -5.666   3.292
  278   3HZ   LYS  99          3HZ       LYS  99  -7.303  -7.023   3.520
  279    H    ALA 100           HN       ALA 100  -4.041  -2.174   3.379
  280    HA   ALA 100           HA       ALA 100  -3.226  -1.025   5.970
  281   1HB   ALA 100          1HB       ALA 100  -2.623   0.133   3.663
  282   2HB   ALA 100          2HB       ALA 100  -4.258   0.775   3.851
  283   3HB   ALA 100          3HB       ALA 100  -3.046   1.064   5.103
  284    H    GLN 101           HN       GLN 101  -4.754  -0.123   7.273
  285    HA   GLN 101           HA       GLN 101  -7.539  -0.610   6.463
  286   1HB   GLN 101          2HB       GLN 101  -7.032  -1.913   8.410
  287   2HB   GLN 101          3HB       GLN 101  -6.282  -0.549   9.214
  288   1HG   GLN 101          2HG       GLN 101  -8.559   0.531   9.043
  289   2HG   GLN 101          3HG       GLN 101  -9.183  -1.056   8.666
  290   1HE2  GLN 101          1HE2      GLN 101  -7.637   0.926  11.086
  291   2HE2  GLN 101          2HE2      GLN 101  -8.004  -0.084  12.437
  292    H    SER 102           HN       SER 102  -8.418   1.205   5.783
  293    HA   SER 102           HA       SER 102  -7.445   3.751   6.066
  294   1HB   SER 102          2HB       SER 102  -9.862   2.486   5.138
  295   2HB   SER 102          3HB       SER 102 -10.219   3.992   5.943
  296    HG   SER 102           HG       SER 102  -8.678   3.540   3.656
  297    H    LEU 103           HN       LEU 103  -8.563   5.584   7.248
  298    HA   LEU 103           HA       LEU 103  -9.280   4.697   9.964
  299   1HB   LEU 103          2HB       LEU 103  -7.386   6.847   9.105
  300   2HB   LEU 103          3HB       LEU 103  -8.092   6.816  10.706
  301    HG   LEU 103           HG       LEU 103  -7.182   4.261  10.501
  302   1HD1  LEU 103          1HD1      LEU 103  -6.114   4.453   8.440
  303   2HD1  LEU 103          2HD1      LEU 103  -5.409   6.017   8.850
  304   3HD1  LEU 103          3HD1      LEU 103  -4.820   4.551   9.635
  305   1HD2  LEU 103          1HD2      LEU 103  -5.650   4.797  12.127
  306   2HD2  LEU 103          2HD2      LEU 103  -5.273   6.368  11.409
  307   3HD2  LEU 103          3HD2      LEU 103  -6.800   6.132  12.263
  308    H    THR 104           HN       THR 104  -9.929   6.831   7.346
  309    HA   THR 104           HA       THR 104 -11.737   8.506   8.857
  310    HB   THR 104           HB       THR 104 -11.646   8.339   5.862
  311    HG1  THR 104           1HG      THR 104  -9.865   9.777   5.932
  312   1HG2  THR 104          1HG2      THR 104 -13.190   9.907   6.569
  313   2HG2  THR 104          2HG2      THR 104 -11.745  10.849   6.192
  314   3HG2  THR 104          3HG2      THR 104 -12.145  10.480   7.869
  315    H    THR 105           HN       THR 105 -11.789   5.910   6.551
  316    HA   THR 105           HA       THR 105 -14.688   5.512   6.866
  317    HB   THR 105           HB       THR 105 -14.712   4.735   4.727
  318    HG1  THR 105           1HG      THR 105 -11.984   4.035   4.887
  319   1HG2  THR 105          1HG2      THR 105 -13.188   5.925   3.238
  320   2HG2  THR 105          2HG2      THR 105 -12.213   6.379   4.637
  321   3HG2  THR 105          3HG2      THR 105 -13.864   6.982   4.479
  322    H    GLY 106           HN       GLY 106 -11.559   4.115   6.962
  323   1HA   GLY 106          1HA       GLY 106 -10.676   2.435   8.179
  324   2HA   GLY 106          2HA       GLY 106 -12.265   2.036   8.770
  325    H    GLN 107           HN       GLN 107 -12.570   2.209   5.502
  326    HA   GLN 107           HA       GLN 107 -13.038  -0.429   5.051
  327   1HB   GLN 107          2HB       GLN 107 -12.362   1.884   3.362
  328   2HB   GLN 107          3HB       GLN 107 -12.364   0.299   2.613
  329   1HG   GLN 107          2HG       GLN 107 -14.543   0.620   2.341
  330   2HG   GLN 107          3HG       GLN 107 -14.654   0.269   4.065
  331   1HE2  GLN 107          1HE2      GLN 107 -15.913   1.640   5.073
  332   2HE2  GLN 107          2HE2      GLN 107 -16.072   3.327   4.737
  333    H    GLU 108           HN       GLU 108 -11.845  -2.164   4.981
  334    HA   GLU 108           HA       GLU 108  -8.945  -1.900   4.961
  335   1HB   GLU 108          2HB       GLU 108 -10.725  -4.272   5.493
  336   2HB   GLU 108          3HB       GLU 108  -8.978  -4.311   5.567
  337   1HG   GLU 108          2HG       GLU 108  -8.982  -3.533   7.622
  338   2HG   GLU 108          3HG       GLU 108  -9.980  -2.157   7.163
  339    H    GLY 109           HN       GLY 109  -7.569  -2.968   3.557
  340   1HA   GLY 109          1HA       GLY 109  -8.210  -4.756   1.548
  341   2HA   GLY 109          2HA       GLY 109  -8.468  -3.160   0.862
  342    H    PHE 110           HN       PHE 110  -6.669  -4.472  -0.449
  343    HA   PHE 110           HA       PHE 110  -4.020  -4.132   0.658
  344   1HB   PHE 110          2HB       PHE 110  -5.240  -5.500  -1.652
  345   2HB   PHE 110          3HB       PHE 110  -3.641  -4.841  -1.940
  346    HD1  PHE 110           1HD      PHE 110  -2.226  -6.678  -2.006
  347    HD2  PHE 110           2HD      PHE 110  -5.069  -6.340   1.145
  348    HE1  PHE 110           1HE      PHE 110  -1.228  -8.636  -0.901
  349    HE2  PHE 110           2HE      PHE 110  -4.074  -8.299   2.255
  350    HZ   PHE 110           HZ       PHE 110  -2.152  -9.449   1.232
  351    H    ILE 111           HN       ILE 111  -2.473  -2.674  -0.093
  352    HA   ILE 111           HA       ILE 111  -3.353  -0.707  -2.084
  353    HB   ILE 111           HB       ILE 111  -2.625   1.166  -0.729
  354   1HG1  ILE 111          2HG1      ILE 111  -2.360  -0.496   1.726
  355   2HG1  ILE 111          3HG1      ILE 111  -1.030  -0.530   0.578
  356   1HG2  ILE 111          1HG2      ILE 111  -4.479   1.311   0.639
  357   2HG2  ILE 111          2HG2      ILE 111  -4.961   0.080  -0.527
  358   3HG2  ILE 111          3HG2      ILE 111  -4.417  -0.395   1.082
  359   1HD1  ILE 111          1HD1      ILE 111  -1.548   1.376   2.562
  360   2HD1  ILE 111          2HD1      ILE 111  -0.267   1.382   1.349
  361   3HD1  ILE 111          3HD1      ILE 111  -1.808   2.173   1.010
  362    HA   PRO 112           HA       PRO 112   0.625  -1.109  -3.890
  363   1HB   PRO 112          2HB       PRO 112   0.917   1.610  -4.543
  364   2HB   PRO 112          3HB       PRO 112   0.203   0.362  -5.566
  365   1HG   PRO 112          2HG       PRO 112  -1.128   2.378  -3.850
  366   2HG   PRO 112          3HG       PRO 112  -1.670   1.653  -5.362
  367   1HD   PRO 112          2HD       PRO 112  -2.699   0.956  -2.980
  368   2HD   PRO 112          3HD       PRO 112  -2.538  -0.193  -4.318
  369    H    PHE 113           HN       PHE 113   2.302  -1.438  -2.528
  370    HA   PHE 113           HA       PHE 113   2.845  -0.054  -0.200
  371   1HB   PHE 113          2HB       PHE 113   4.847  -1.260  -0.057
  372   2HB   PHE 113          3HB       PHE 113   3.791  -2.296  -1.009
  373    HD1  PHE 113           1HD      PHE 113   6.978  -1.862  -0.745
  374    HD2  PHE 113           2HD      PHE 113   4.012  -0.991  -3.668
  375    HE1  PHE 113           1HE      PHE 113   8.692  -1.952  -2.507
  376    HE2  PHE 113           2HE      PHE 113   5.719  -1.079  -5.435
  377    HZ   PHE 113           HZ       PHE 113   8.065  -1.561  -4.856
  378    H    ASN 114           HN       ASN 114   3.563   0.895  -3.443
  379    HA   ASN 114           HA       ASN 114   5.416   2.959  -2.496
  380   1HB   ASN 114          2HB       ASN 114   5.768   3.320  -4.996
  381   2HB   ASN 114          3HB       ASN 114   6.349   1.797  -4.332
  382   1HD2  ASN 114          1HD2      ASN 114   5.023   2.996  -6.954
  383   2HD2  ASN 114          2HD2      ASN 114   4.010   1.689  -7.455
  384    H    PHE 115           HN       PHE 115   2.573   3.124  -1.972
  385    HA   PHE 115           HA       PHE 115   1.903   5.505  -3.581
  386   1HB   PHE 115          2HB       PHE 115   0.417   3.138  -3.189
  387   2HB   PHE 115          3HB       PHE 115  -0.395   4.390  -2.267
  388    HD1  PHE 115           1HD      PHE 115  -2.268   4.952  -3.446
  389    HD2  PHE 115           2HD      PHE 115   1.431   4.589  -5.507
  390    HE1  PHE 115           1HE      PHE 115  -3.331   5.796  -5.483
  391    HE2  PHE 115           2HE      PHE 115   0.373   5.437  -7.561
  392    HZ   PHE 115           HZ       PHE 115  -2.015   6.044  -7.552
  393    H    VAL 116           HN       VAL 116   2.268   4.177  -0.388
  394    HA   VAL 116           HA       VAL 116   1.237   6.690   0.743
  395    HB   VAL 116           HB       VAL 116   0.898   5.453   2.846
  396   1HG1  VAL 116          1HG1      VAL 116  -0.613   3.826   0.926
  397   2HG1  VAL 116          2HG1      VAL 116  -1.179   4.875   2.225
  398   3HG1  VAL 116          3HG1      VAL 116  -0.697   5.571   0.678
  399   1HG2  VAL 116          1HG2      VAL 116   2.136   3.578   3.057
  400   2HG2  VAL 116          2HG2      VAL 116   0.792   2.815   2.209
  401   3HG2  VAL 116          3HG2      VAL 116   2.223   3.324   1.313
  402    H    ALA 117           HN       ALA 117   2.268   7.730   2.370
  403    HA   ALA 117           HA       ALA 117   4.976   6.869   3.095
  404   1HB   ALA 117          1HB       ALA 117   5.096   8.572   1.275
  405   2HB   ALA 117          2HB       ALA 117   4.264   9.705   2.341
  406   3HB   ALA 117          3HB       ALA 117   5.857   9.088   2.779
  407    H    LYS 118           HN       LYS 118   5.496   7.278   5.227
  408    HA   LYS 118           HA       LYS 118   3.656   7.342   7.186
  409   1HB   LYS 118          2HB       LYS 118   6.480   7.882   7.033
  410   2HB   LYS 118          3HB       LYS 118   5.738   8.925   8.236
  411   1HG   LYS 118          2HG       LYS 118   6.640   6.674   9.012
  412   2HG   LYS 118          3HG       LYS 118   5.013   7.122   9.527
  413   1HD   LYS 118          2HD       LYS 118   4.013   5.553   8.204
  414   2HD   LYS 118          3HD       LYS 118   5.303   5.586   7.002
  415   1HE   LYS 118          2HE       LYS 118   5.722   4.466   9.759
  416   2HE   LYS 118          3HE       LYS 118   5.082   3.483   8.441
  417   1HZ   LYS 118          1HZ       LYS 118   7.069   3.403   7.419
  418   2HZ   LYS 118          2HZ       LYS 118   7.675   3.726   8.965
  419   3HZ   LYS 118          3HZ       LYS 118   7.498   4.983   7.847
  420    H    ALA 119           HN       ALA 119   2.472   8.761   8.366
  421    HA   ALA 119           HA       ALA 119   1.757  11.236   7.145
  422   1HB   ALA 119          1HB       ALA 119   0.919   9.788   9.615
  423   2HB   ALA 119          2HB       ALA 119   0.540  11.504   9.474
  424   3HB   ALA 119          3HB       ALA 119  -0.052  10.374   8.258
  425    H    ASN 120           HN       ASN 120   4.392  11.525   7.462
  426    HA   ASN 120           HA       ASN 120   4.561  13.770   9.281
  427   1HB   ASN 120          2HB       ASN 120   5.846  11.184   9.835
  428   2HB   ASN 120          3HB       ASN 120   6.941  12.562   9.910
  429   1HD2  ASN 120          1HD2      ASN 120   6.357  11.045  12.127
  430   2HD2  ASN 120          2HD2      ASN 120   5.442  11.993  13.244
  Start of MODEL   22
    1    H    ASN  64           HN       ASN  64   1.238   2.911  12.890
    2    HA   ASN  64           HA       ASN  64   3.399   2.157  11.241
    3   1HB   ASN  64          2HB       ASN  64   1.331   0.063  11.804
    4   2HB   ASN  64          3HB       ASN  64   1.992   0.187  10.182
    5   1HD2  ASN  64          1HD2      ASN  64   2.273  -2.039  11.870
    6   2HD2  ASN  64          2HD2      ASN  64   3.952  -2.235  12.220
    7    H    LEU  65           HN       LEU  65   1.299   4.196  11.626
    8    HA   LEU  65           HA       LEU  65  -0.429   3.870   9.349
    9   1HB   LEU  65          2HB       LEU  65  -1.443   4.941  11.152
   10   2HB   LEU  65          3HB       LEU  65  -0.117   6.052  11.377
   11    HG   LEU  65           HG       LEU  65  -0.709   7.134   9.267
   12   1HD1  LEU  65          1HD1      LEU  65  -2.281   4.785   8.948
   13   2HD1  LEU  65          2HD1      LEU  65  -3.321   6.204   8.843
   14   3HD1  LEU  65          3HD1      LEU  65  -1.925   6.054   7.772
   15   1HD2  LEU  65          1HD2      LEU  65  -1.619   8.052  11.308
   16   2HD2  LEU  65          2HD2      LEU  65  -2.825   8.163  10.026
   17   3HD2  LEU  65          3HD2      LEU  65  -2.958   6.906  11.257
   18    H    VAL  66           HN       VAL  66  -0.432   4.926   7.533
   19    HA   VAL  66           HA       VAL  66   1.897   6.596   6.854
   20    HB   VAL  66           HB       VAL  66   1.538   5.643   4.526
   21   1HG1  VAL  66          1HG1      VAL  66   2.649   3.987   6.771
   22   2HG1  VAL  66          2HG1      VAL  66   2.909   3.616   5.067
   23   3HG1  VAL  66          3HG1      VAL  66   3.519   5.126   5.742
   24   1HG2  VAL  66          1HG2      VAL  66   0.647   3.310   4.515
   25   2HG2  VAL  66          2HG2      VAL  66   0.042   3.601   6.145
   26   3HG2  VAL  66          3HG2      VAL  66  -0.568   4.557   4.795
   27    H    ILE  67           HN       ILE  67   1.373   7.528   4.501
   28    HA   ILE  67           HA       ILE  67  -1.368   8.447   4.347
   29    HB   ILE  67           HB       ILE  67   0.769  10.137   5.328
   30   1HG1  ILE  67          2HG1      ILE  67  -2.202  10.343   4.946
   31   2HG1  ILE  67          3HG1      ILE  67  -1.339   9.967   6.406
   32   1HG2  ILE  67          1HG2      ILE  67  -0.693  11.100   2.869
   33   2HG2  ILE  67          2HG2      ILE  67   0.218  12.133   3.969
   34   3HG2  ILE  67          3HG2      ILE  67   1.048  10.882   3.043
   35   1HD1  ILE  67          1HD1      ILE  67  -0.486  12.516   5.524
   36   2HD1  ILE  67          2HD1      ILE  67  -2.250  12.468   5.487
   37   3HD1  ILE  67          3HD1      ILE  67  -1.389  12.096   6.981
   38    H    ALA  68           HN       ALA  68  -2.060   8.380   2.372
   39    HA   ALA  68           HA       ALA  68  -0.544   7.494   0.220
   40   1HB   ALA  68          1HB       ALA  68  -2.505   7.353  -0.808
   41   2HB   ALA  68          2HB       ALA  68  -3.219   7.981   0.678
   42   3HB   ALA  68          3HB       ALA  68  -2.812   9.080  -0.641
   43    H    LEU  69           HN       LEU  69   0.280   8.467  -1.620
   44    HA   LEU  69           HA       LEU  69   1.060  11.265  -1.244
   45   1HB   LEU  69          2HB       LEU  69   2.192   9.043  -2.934
   46   2HB   LEU  69          3HB       LEU  69   2.734  10.708  -3.059
   47    HG   LEU  69           HG       LEU  69   2.964   8.913  -0.640
   48   1HD1  LEU  69          1HD1      LEU  69   4.671   8.310  -2.121
   49   2HD1  LEU  69          2HD1      LEU  69   4.935   9.976  -2.640
   50   3HD1  LEU  69          3HD1      LEU  69   5.431   9.465  -1.027
   51   1HD2  LEU  69          1HD2      LEU  69   2.613  10.977   0.334
   52   2HD2  LEU  69          2HD2      LEU  69   4.368  10.945   0.160
   53   3HD2  LEU  69          3HD2      LEU  69   3.383  11.851  -0.989
   54    H    HIS  70           HN       HIS  70  -0.805   9.181  -3.285
   55    HA   HIS  70           HA       HIS  70  -1.689  11.506  -4.810
   56   1HB   HIS  70          2HB       HIS  70  -1.680   9.660  -6.812
   57   2HB   HIS  70          3HB       HIS  70  -0.432  10.869  -6.573
   58    HD1  HIS  70           1HD      HIS  70  -0.749   7.425  -7.212
   59    HD2  HIS  70           2HD      HIS  70   1.701   9.688  -4.741
   60    HE1  HIS  70           1HE      HIS  70   1.221   5.952  -6.689
   61    HE2  HIS  70           2HE      HIS  70   2.645   7.309  -5.115
   62    H    SER  71           HN       SER  71  -3.481  10.537  -6.472
   63    HA   SER  71           HA       SER  71  -5.509   9.464  -4.717
   64   1HB   SER  71          2HB       SER  71  -6.063   9.779  -7.618
   65   2HB   SER  71          3HB       SER  71  -7.034  10.260  -6.227
   66    HG   SER  71           HG       SER  71  -5.110  11.665  -7.617
   67    H    TYR  72           HN       TYR  72  -6.019   7.384  -4.525
   68    HA   TYR  72           HA       TYR  72  -4.900   5.516  -6.501
   69   1HB   TYR  72          2HB       TYR  72  -4.272   5.208  -4.103
   70   2HB   TYR  72          3HB       TYR  72  -5.957   4.856  -3.753
   71    HD1  TYR  72           1HD      TYR  72  -6.103   2.605  -3.227
   72    HD2  TYR  72           2HD      TYR  72  -3.763   3.779  -6.577
   73    HE1  TYR  72           1HE      TYR  72  -5.746   0.242  -3.799
   74    HE2  TYR  72           2HE      TYR  72  -3.403   1.420  -7.161
   75    HH   TYR  72           HH       TYR  72  -4.649  -0.787  -6.742
   76    H    GLU  73           HN       GLU  73  -6.069   3.875  -7.411
   77    HA   GLU  73           HA       GLU  73  -8.951   3.815  -6.995
   78   1HB   GLU  73          2HB       GLU  73  -7.630   4.859  -9.268
   79   2HB   GLU  73          3HB       GLU  73  -8.455   3.390  -9.743
   80   1HG   GLU  73          2HG       GLU  73 -10.549   4.241  -9.043
   81   2HG   GLU  73          3HG       GLU  73  -9.781   5.596  -8.217
   82    HA   PRO  74           HA       PRO  74  -7.360  -0.407  -6.239
   83   1HB   PRO  74          2HB       PRO  74 -10.166  -1.090  -6.181
   84   2HB   PRO  74          3HB       PRO  74  -9.011  -1.039  -4.849
   85   1HG   PRO  74          2HG       PRO  74 -10.970   0.982  -5.699
   86   2HG   PRO  74          3HG       PRO  74 -10.175   0.770  -4.130
   87   1HD   PRO  74          2HD       PRO  74  -9.553   2.816  -5.791
   88   2HD   PRO  74          3HD       PRO  74  -8.336   2.031  -4.758
   89    H    SER  75           HN       SER  75  -6.792  -1.790  -7.752
   90    HA   SER  75           HA       SER  75  -8.568  -2.197 -10.066
   91   1HB   SER  75          2HB       SER  75  -6.127  -0.982 -10.224
   92   2HB   SER  75          3HB       SER  75  -5.690  -2.665 -10.518
   93    HG   SER  75           HG       SER  75  -7.508  -2.595 -12.091
   94    H    HIS  76           HN       HIS  76  -6.073  -3.581  -7.974
   95    HA   HIS  76           HA       HIS  76  -6.467  -6.248  -8.985
   96   1HB   HIS  76          2HB       HIS  76  -4.712  -4.956  -6.962
   97   2HB   HIS  76          3HB       HIS  76  -5.068  -6.664  -6.727
   98    HD1  HIS  76           1HD      HIS  76  -2.269  -6.381  -7.205
   99    HD2  HIS  76           2HD      HIS  76  -4.916  -6.315 -10.406
  100    HE1  HIS  76           1HE      HIS  76  -0.889  -6.949  -9.229
  101    HE2  HIS  76           2HE      HIS  76  -2.494  -6.814 -11.166
  102    H    ASP  77           HN       ASP  77  -7.191  -8.043  -7.669
  103    HA   ASP  77           HA       ASP  77  -9.647  -7.510  -6.372
  104   1HB   ASP  77          2HB       ASP  77  -7.954 -10.006  -6.543
  105   2HB   ASP  77          3HB       ASP  77  -9.532  -9.967  -5.761
  106    H    GLY  78           HN       GLY  78 -10.220  -7.480  -4.230
  107   1HA   GLY  78          1HA       GLY  78  -9.971  -7.271  -1.953
  108   2HA   GLY  78          2HA       GLY  78  -8.547  -8.288  -2.102
  109    H    ASP  79           HN       ASP  79  -9.075  -5.135  -3.620
  110    HA   ASP  79           HA       ASP  79  -6.740  -4.151  -2.132
  111   1HB   ASP  79          2HB       ASP  79  -7.879  -3.332  -4.802
  112   2HB   ASP  79          3HB       ASP  79  -6.609  -2.436  -3.976
  113    H    LEU  80           HN       LEU  80  -6.726  -1.952  -1.434
  114    HA   LEU  80           HA       LEU  80  -9.415  -0.951  -0.781
  115   1HB   LEU  80          2HB       LEU  80  -8.491  -1.377   1.283
  116   2HB   LEU  80          3HB       LEU  80  -6.858  -1.063   0.741
  117    HG   LEU  80           HG       LEU  80  -7.467   1.387   0.690
  118   1HD1  LEU  80          1HD1      LEU  80  -9.994   0.234   1.691
  119   2HD1  LEU  80          2HD1      LEU  80  -9.422   1.698   2.494
  120   3HD1  LEU  80          3HD1      LEU  80  -9.707   1.700   0.753
  121   1HD2  LEU  80          1HD2      LEU  80  -6.125   0.398   2.469
  122   2HD2  LEU  80          2HD2      LEU  80  -7.187   1.657   3.101
  123   3HD2  LEU  80          3HD2      LEU  80  -7.595  -0.042   3.339
  124    H    GLY  81           HN       GLY  81  -9.981   1.032  -1.460
  125   1HA   GLY  81          1HA       GLY  81  -7.986   2.538  -2.986
  126   2HA   GLY  81          2HA       GLY  81  -9.721   2.741  -3.099
  127    H    PHE  82           HN       PHE  82  -7.572   4.704  -2.672
  128    HA   PHE  82           HA       PHE  82  -8.810   6.072  -0.435
  129   1HB   PHE  82          2HB       PHE  82  -6.410   6.669   0.379
  130   2HB   PHE  82          3HB       PHE  82  -7.126   5.138   0.858
  131    HD1  PHE  82           1HD      PHE  82  -6.560   3.094  -0.656
  132    HD2  PHE  82           2HD      PHE  82  -4.317   6.701  -0.574
  133    HE1  PHE  82           1HE      PHE  82  -4.625   1.910  -1.605
  134    HE2  PHE  82           2HE      PHE  82  -2.369   5.518  -1.518
  135    HZ   PHE  82           HZ       PHE  82  -2.527   3.119  -2.032
  136    H    GLU  83           HN       GLU  83  -7.539   8.283  -0.165
  137    HA   GLU  83           HA       GLU  83  -7.307   9.379  -2.887
  138   1HB   GLU  83          2HB       GLU  83  -8.669  10.246  -0.465
  139   2HB   GLU  83          3HB       GLU  83  -7.644  11.504  -1.134
  140   1HG   GLU  83          2HG       GLU  83  -8.953  10.494  -3.338
  141   2HG   GLU  83          3HG       GLU  83 -10.179  10.469  -2.071
  142    H    LYS  84           HN       LYS  84  -6.012  11.587  -2.744
  143    HA   LYS  84           HA       LYS  84  -3.343  10.856  -1.977
  144   1HB   LYS  84          2HB       LYS  84  -3.385  12.096  -3.939
  145   2HB   LYS  84          3HB       LYS  84  -4.610  13.197  -3.340
  146   1HG   LYS  84          2HG       LYS  84  -2.686  13.900  -1.679
  147   2HG   LYS  84          3HG       LYS  84  -1.662  13.221  -2.942
  148   1HD   LYS  84          2HD       LYS  84  -3.219  14.700  -4.482
  149   2HD   LYS  84          3HD       LYS  84  -3.410  15.623  -2.992
  150   1HE   LYS  84          2HE       LYS  84  -0.654  14.851  -3.735
  151   2HE   LYS  84          3HE       LYS  84  -1.434  16.057  -4.755
  152   1HZ   LYS  84          1HZ       LYS  84  -0.697  16.221  -1.917
  153   2HZ   LYS  84          2HZ       LYS  84  -2.011  17.129  -2.472
  154   3HZ   LYS  84          3HZ       LYS  84  -0.479  17.359  -3.151
  155    H    GLY  85           HN       GLY  85  -2.226  11.486  -0.202
  156   1HA   GLY  85          1HA       GLY  85  -1.764  12.564   1.810
  157   2HA   GLY  85          2HA       GLY  85  -3.115  13.656   1.493
  158    H    GLU  86           HN       GLU  86  -4.482  10.777   1.016
  159    HA   GLU  86           HA       GLU  86  -5.959  10.737   3.387
  160   1HB   GLU  86          2HB       GLU  86  -6.178   9.540   0.956
  161   2HB   GLU  86          3HB       GLU  86  -5.621   8.188   1.924
  162   1HG   GLU  86          2HG       GLU  86  -8.223   9.112   1.606
  163   2HG   GLU  86          3HG       GLU  86  -7.653   7.844   2.670
  164    H    GLN  87           HN       GLN  87  -6.038   8.833   4.881
  165    HA   GLN  87           HA       GLN  87  -3.319   7.850   5.418
  166   1HB   GLN  87          2HB       GLN  87  -5.301   8.436   7.594
  167   2HB   GLN  87          3HB       GLN  87  -3.580   8.138   7.742
  168   1HG   GLN  87          2HG       GLN  87  -3.026  10.254   7.288
  169   2HG   GLN  87          3HG       GLN  87  -4.292  10.437   6.079
  170   1HE2  GLN  87          1HE2      GLN  87  -4.029   9.935   9.584
  171   2HE2  GLN  87          2HE2      GLN  87  -5.224  11.105  10.014
  172    H    LEU  88           HN       LEU  88  -3.089   5.844   6.212
  173    HA   LEU  88           HA       LEU  88  -5.416   4.129   6.580
  174   1HB   LEU  88          2HB       LEU  88  -3.292   2.995   4.860
  175   2HB   LEU  88          3HB       LEU  88  -5.009   2.655   4.891
  176    HG   LEU  88           HG       LEU  88  -4.400   5.338   3.904
  177   1HD1  LEU  88          1HD1      LEU  88  -3.706   3.241   1.948
  178   2HD1  LEU  88          2HD1      LEU  88  -3.106   4.893   2.109
  179   3HD1  LEU  88          3HD1      LEU  88  -2.490   3.624   3.170
  180   1HD2  LEU  88          1HD2      LEU  88  -6.019   4.746   2.257
  181   2HD2  LEU  88          2HD2      LEU  88  -5.856   3.027   2.643
  182   3HD2  LEU  88          3HD2      LEU  88  -6.589   4.132   3.812
  183    H    ARG  89           HN       ARG  89  -5.092   2.801   8.210
  184    HA   ARG  89           HA       ARG  89  -2.521   2.718   9.476
  185   1HB   ARG  89          2HB       ARG  89  -4.362   2.862  10.949
  186   2HB   ARG  89          3HB       ARG  89  -5.231   1.576  10.122
  187   1HG   ARG  89          2HG       ARG  89  -3.675  -0.050  10.925
  188   2HG   ARG  89          3HG       ARG  89  -2.679   1.210  11.638
  189   1HD   ARG  89          2HD       ARG  89  -4.808   1.848  12.925
  190   2HD   ARG  89          3HD       ARG  89  -5.377   0.246  12.492
  191    HE   ARG  89           HE       ARG  89  -2.765   0.338  13.727
  192   1HH1  ARG  89          2HH1      ARG  89  -6.203   0.001  14.237
  193   2HH1  ARG  89          1HH1      ARG  89  -6.024  -0.800  15.762
  194   1HH2  ARG  89          2HH2      ARG  89  -2.531  -0.714  15.734
  195   2HH2  ARG  89          1HH2      ARG  89  -3.941  -1.205  16.612
  196    H    ILE  90           HN       ILE  90  -1.071   1.525   8.472
  197    HA   ILE  90           HA       ILE  90  -1.563  -0.649   6.803
  198    HB   ILE  90           HB       ILE  90   1.012  -0.121   8.288
  199   1HG1  ILE  90          2HG1      ILE  90   0.182   1.879   7.105
  200   2HG1  ILE  90          3HG1      ILE  90   1.660   1.264   6.397
  201   1HG2  ILE  90          1HG2      ILE  90   1.987  -1.652   6.985
  202   2HG2  ILE  90          2HG2      ILE  90   0.349  -2.236   6.687
  203   3HG2  ILE  90          3HG2      ILE  90   1.106  -1.120   5.551
  204   1HD1  ILE  90          1HD1      ILE  90   0.666   1.207   4.427
  205   2HD1  ILE  90          2HD1      ILE  90  -0.501   0.040   5.052
  206   3HD1  ILE  90          3HD1      ILE  90  -0.840   1.768   5.156
  207    H    LEU  91           HN       LEU  91  -2.409  -2.472   7.295
  208    HA   LEU  91           HA       LEU  91  -2.242  -3.655   9.918
  209   1HB   LEU  91          2HB       LEU  91  -3.301  -4.904   7.389
  210   2HB   LEU  91          3HB       LEU  91  -3.737  -5.296   9.042
  211    HG   LEU  91           HG       LEU  91  -4.392  -2.736   7.585
  212   1HD1  LEU  91          1HD1      LEU  91  -5.914  -4.146   6.687
  213   2HD1  LEU  91          2HD1      LEU  91  -5.916  -5.226   8.083
  214   3HD1  LEU  91          3HD1      LEU  91  -6.776  -3.685   8.155
  215   1HD2  LEU  91          1HD2      LEU  91  -4.453  -1.888   9.660
  216   2HD2  LEU  91          2HD2      LEU  91  -5.973  -2.772   9.795
  217   3HD2  LEU  91          3HD2      LEU  91  -4.481  -3.481  10.418
  218    H    GLU  92           HN       GLU  92  -1.169  -4.373   6.647
  219    HA   GLU  92           HA       GLU  92   1.116  -5.819   7.720
  220   1HB   GLU  92          2HB       GLU  92  -1.088  -7.107   6.460
  221   2HB   GLU  92          3HB       GLU  92   0.296  -7.200   5.377
  222   1HG   GLU  92          2HG       GLU  92   1.093  -8.869   6.577
  223   2HG   GLU  92          3HG       GLU  92   1.265  -7.758   7.939
  224    H    GLN  93           HN       GLN  93   2.958  -5.456   6.615
  225    HA   GLN  93           HA       GLN  93   2.725  -3.926   4.129
  226   1HB   GLN  93          2HB       GLN  93   4.999  -2.943   5.012
  227   2HB   GLN  93          3HB       GLN  93   3.458  -2.270   5.515
  228   1HG   GLN  93          2HG       GLN  93   3.561  -3.796   7.479
  229   2HG   GLN  93          3HG       GLN  93   5.194  -4.168   6.982
  230   1HE2  GLN  93          1HE2      GLN  93   6.205  -1.792   6.234
  231   2HE2  GLN  93          2HE2      GLN  93   6.238  -0.693   7.567
  232    H    SER  94           HN       SER  94   3.008  -6.722   4.288
  233    HA   SER  94           HA       SER  94   5.797  -7.204   3.547
  234   1HB   SER  94          2HB       SER  94   4.321  -9.594   3.321
  235   2HB   SER  94          3HB       SER  94   5.448  -9.152   4.603
  236    HG   SER  94           HG       SER  94   3.764  -8.378   5.808
  237    H    GLY  95           HN       GLY  95   6.375  -7.207   1.481
  238   1HA   GLY  95          1HA       GLY  95   6.198  -7.815  -0.797
  239   2HA   GLY  95          2HA       GLY  95   4.486  -8.111  -0.554
  240    H    GLU  96           HN       GLU  96   5.567  -6.752  -2.715
  241    HA   GLU  96           HA       GLU  96   5.701  -4.015  -2.650
  242   1HB   GLU  96          2HB       GLU  96   6.144  -4.739  -4.743
  243   2HB   GLU  96          3HB       GLU  96   4.976  -6.050  -4.638
  244   1HG   GLU  96          2HG       GLU  96   3.191  -4.593  -5.078
  245   2HG   GLU  96          3HG       GLU  96   4.240  -3.179  -5.003
  246    H    TRP  97           HN       TRP  97   2.934  -5.978  -2.028
  247    HA   TRP  97           HA       TRP  97   1.213  -3.595  -2.156
  248   1HB   TRP  97          2HB       TRP  97   0.637  -6.517  -2.542
  249   2HB   TRP  97          3HB       TRP  97  -0.646  -5.392  -2.110
  250    HD1  TRP  97           1HD      TRP  97   1.735  -6.254  -4.983
  251    HE1  TRP  97           1HE      TRP  97   0.889  -5.110  -7.128
  252    HE3  TRP  97           3HE      TRP  97  -2.030  -3.448  -2.973
  253    HZ2  TRP  97           2HZ      TRP  97  -1.110  -3.255  -7.866
  254    HZ3  TRP  97           3HZ      TRP  97  -3.360  -2.015  -4.457
  255    HH2  TRP  97           2HH      TRP  97  -2.906  -1.917  -6.855
  256    H    TRP  98           HN       TRP  98   0.885  -2.713  -0.226
  257    HA   TRP  98           HA       TRP  98   1.108  -4.361   2.171
  258   1HB   TRP  98          2HB       TRP  98   1.080  -1.382   1.741
  259   2HB   TRP  98          3HB       TRP  98   1.001  -2.114   3.336
  260    HD1  TRP  98           1HD      TRP  98   3.217  -4.229   1.349
  261    HE1  TRP  98           1HE      TRP  98   5.687  -3.675   1.825
  262    HE3  TRP  98           3HE      TRP  98   2.579   0.207   3.760
  263    HZ2  TRP  98           2HZ      TRP  98   7.170  -1.598   3.055
  264    HZ3  TRP  98           3HZ      TRP  98   4.560   1.432   4.555
  265    HH2  TRP  98           2HH      TRP  98   6.811   0.542   4.212
  266    H    LYS  99           HN       LYS  99  -0.476  -4.687   3.618
  267    HA   LYS  99           HA       LYS  99  -3.199  -4.109   2.798
  268   1HB   LYS  99          2HB       LYS  99  -2.739  -6.340   3.651
  269   2HB   LYS  99          3HB       LYS  99  -2.050  -5.670   5.120
  270   1HG   LYS  99          2HG       LYS  99  -4.453  -6.627   5.157
  271   2HG   LYS  99          3HG       LYS  99  -4.103  -5.119   6.004
  272   1HD   LYS  99          2HD       LYS  99  -5.115  -3.823   4.391
  273   2HD   LYS  99          3HD       LYS  99  -5.062  -5.104   3.176
  274   1HE   LYS  99          2HE       LYS  99  -6.548  -5.991   5.462
  275   2HE   LYS  99          3HE       LYS  99  -7.177  -4.441   4.912
  276   1HZ   LYS  99          1HZ       LYS  99  -7.364  -7.027   3.685
  277   2HZ   LYS  99          2HZ       LYS  99  -6.838  -5.833   2.609
  278   3HZ   LYS  99          3HZ       LYS  99  -8.304  -5.642   3.433
  279    H    ALA 100           HN       ALA 100  -4.025  -2.167   3.339
  280    HA   ALA 100           HA       ALA 100  -3.233  -1.038   5.945
  281   1HB   ALA 100          1HB       ALA 100  -3.071   1.069   5.088
  282   2HB   ALA 100          2HB       ALA 100  -2.571   0.131   3.678
  283   3HB   ALA 100          3HB       ALA 100  -4.221   0.753   3.785
  284    H    GLN 101           HN       GLN 101  -4.763  -0.125   7.238
  285    HA   GLN 101           HA       GLN 101  -7.543  -0.602   6.407
  286   1HB   GLN 101          2HB       GLN 101  -7.042  -1.901   8.362
  287   2HB   GLN 101          3HB       GLN 101  -6.310  -0.528   9.170
  288   1HG   GLN 101          2HG       GLN 101  -8.586   0.538   8.978
  289   2HG   GLN 101          3HG       GLN 101  -9.202  -1.047   8.580
  290   1HE2  GLN 101          1HE2      GLN 101  -7.578   0.859  11.034
  291   2HE2  GLN 101          2HE2      GLN 101  -8.010  -0.142  12.372
  292    H    SER 102           HN       SER 102  -8.401   1.207   5.709
  293    HA   SER 102           HA       SER 102  -7.435   3.755   5.980
  294   1HB   SER 102          2HB       SER 102  -9.843   2.476   5.049
  295   2HB   SER 102          3HB       SER 102 -10.212   3.986   5.839
  296    HG   SER 102           HG       SER 102  -9.620   4.871   4.036
  297    H    LEU 103           HN       LEU 103  -8.556   5.597   7.144
  298    HA   LEU 103           HA       LEU 103  -9.300   4.722   9.857
  299   1HB   LEU 103          2HB       LEU 103  -7.388   6.859   9.009
  300   2HB   LEU 103          3HB       LEU 103  -8.123   6.852  10.598
  301    HG   LEU 103           HG       LEU 103  -7.216   4.283  10.414
  302   1HD1  LEU 103          1HD1      LEU 103  -4.831   4.571   9.634
  303   2HD1  LEU 103          2HD1      LEU 103  -6.079   4.501   8.388
  304   3HD1  LEU 103          3HD1      LEU 103  -5.379   6.053   8.849
  305   1HD2  LEU 103          1HD2      LEU 103  -5.740   4.811  12.094
  306   2HD2  LEU 103          2HD2      LEU 103  -5.352   6.392  11.405
  307   3HD2  LEU 103          3HD2      LEU 103  -6.905   6.135  12.203
  308    H    THR 104           HN       THR 104  -9.939   6.832   7.221
  309    HA   THR 104           HA       THR 104 -11.749   8.521   8.709
  310    HB   THR 104           HB       THR 104 -11.643   8.318   5.715
  311    HG1  THR 104           1HG      THR 104  -9.736   9.580   7.390
  312   1HG2  THR 104          1HG2      THR 104 -11.781  10.826   6.004
  313   2HG2  THR 104          2HG2      THR 104 -12.172  10.483   7.691
  314   3HG2  THR 104          3HG2      THR 104 -13.213   9.875   6.402
  315    H    THR 105           HN       THR 105 -11.795   5.902   6.427
  316    HA   THR 105           HA       THR 105 -14.692   5.499   6.750
  317    HB   THR 105           HB       THR 105 -14.712   4.676   4.626
  318    HG1  THR 105           1HG      THR 105 -11.975   4.010   4.785
  319   1HG2  THR 105          1HG2      THR 105 -13.893   6.922   4.325
  320   2HG2  THR 105          2HG2      THR 105 -13.185   5.849   3.117
  321   3HG2  THR 105          3HG2      THR 105 -12.234   6.352   4.516
  322    H    GLY 106           HN       GLY 106 -11.556   4.110   6.864
  323   1HA   GLY 106          1HA       GLY 106 -10.660   2.460   8.100
  324   2HA   GLY 106          2HA       GLY 106 -12.238   2.087   8.736
  325    H    GLN 107           HN       GLN 107 -12.515   2.166   5.436
  326    HA   GLN 107           HA       GLN 107 -13.026  -0.493   5.102
  327   1HB   GLN 107          2HB       GLN 107 -12.346   1.742   3.308
  328   2HB   GLN 107          3HB       GLN 107 -12.388   0.124   2.633
  329   1HG   GLN 107          2HG       GLN 107 -14.566   0.475   2.383
  330   2HG   GLN 107          3HG       GLN 107 -14.650   0.196   4.121
  331   1HE2  GLN 107          1HE2      GLN 107 -14.035   2.793   1.786
  332   2HE2  GLN 107          2HE2      GLN 107 -14.874   4.020   2.667
  333    H    GLU 108           HN       GLU 108 -11.839  -2.222   5.121
  334    HA   GLU 108           HA       GLU 108  -8.944  -1.985   5.090
  335   1HB   GLU 108          2HB       GLU 108 -10.664  -4.418   5.546
  336   2HB   GLU 108          3HB       GLU 108  -8.939  -4.308   5.811
  337   1HG   GLU 108          2HG       GLU 108  -9.222  -3.476   7.827
  338   2HG   GLU 108          3HG       GLU 108 -10.324  -2.236   7.240
  339    H    GLY 109           HN       GLY 109  -7.563  -2.949   3.651
  340   1HA   GLY 109          1HA       GLY 109  -8.201  -4.791   1.668
  341   2HA   GLY 109          2HA       GLY 109  -8.464  -3.200   0.976
  342    H    PHE 110           HN       PHE 110  -6.664  -4.537  -0.315
  343    HA   PHE 110           HA       PHE 110  -4.017  -4.137   0.780
  344   1HB   PHE 110          2HB       PHE 110  -5.223  -5.607  -1.479
  345   2HB   PHE 110          3HB       PHE 110  -3.617  -4.968  -1.766
  346    HD1  PHE 110           1HD      PHE 110  -2.080  -6.673  -1.612
  347    HD2  PHE 110           2HD      PHE 110  -5.237  -6.465   1.237
  348    HE1  PHE 110           1HE      PHE 110  -1.112  -8.586  -0.405
  349    HE2  PHE 110           2HE      PHE 110  -4.273  -8.377   2.449
  350    HZ   PHE 110           HZ       PHE 110  -2.207  -9.440   1.628
  351    H    ILE 111           HN       ILE 111  -2.504  -2.686  -0.002
  352    HA   ILE 111           HA       ILE 111  -3.393  -0.817  -2.088
  353    HB   ILE 111           HB       ILE 111  -2.586   1.100  -0.802
  354   1HG1  ILE 111          2HG1      ILE 111  -2.460  -0.557   1.687
  355   2HG1  ILE 111          3HG1      ILE 111  -1.078  -0.544   0.601
  356   1HG2  ILE 111          1HG2      ILE 111  -4.973   0.190  -0.681
  357   2HG2  ILE 111          2HG2      ILE 111  -4.544  -0.345   0.945
  358   3HG2  ILE 111          3HG2      ILE 111  -4.472   1.368   0.530
  359   1HD1  ILE 111          1HD1      ILE 111  -1.488   2.086   0.804
  360   2HD1  ILE 111          2HD1      ILE 111  -2.105   1.562   2.372
  361   3HD1  ILE 111          3HD1      ILE 111  -0.451   1.169   1.900
  362    HA   PRO 112           HA       PRO 112   0.598  -1.223  -3.853
  363   1HB   PRO 112          2HB       PRO 112   0.884   1.435  -4.647
  364   2HB   PRO 112          3HB       PRO 112   0.098   0.163  -5.584
  365   1HG   PRO 112          2HG       PRO 112  -1.116   2.261  -3.863
  366   2HG   PRO 112          3HG       PRO 112  -1.713   1.555  -5.362
  367   1HD   PRO 112          2HD       PRO 112  -2.717   0.887  -2.973
  368   2HD   PRO 112          3HD       PRO 112  -2.596  -0.274  -4.300
  369    H    PHE 113           HN       PHE 113   2.322  -1.439  -2.535
  370    HA   PHE 113           HA       PHE 113   2.812   0.024  -0.237
  371   1HB   PHE 113          2HB       PHE 113   4.832  -1.138  -0.051
  372   2HB   PHE 113          3HB       PHE 113   3.815  -2.218  -0.999
  373    HD1  PHE 113           1HD      PHE 113   4.049  -0.904  -3.672
  374    HD2  PHE 113           2HD      PHE 113   6.978  -1.746  -0.703
  375    HE1  PHE 113           1HE      PHE 113   5.785  -0.979  -5.413
  376    HE2  PHE 113           2HE      PHE 113   8.720  -1.825  -2.438
  377    HZ   PHE 113           HZ       PHE 113   8.124  -1.441  -4.797
  378    H    ASN 114           HN       ASN 114   3.430   0.949  -3.496
  379    HA   ASN 114           HA       ASN 114   5.282   3.053  -2.629
  380   1HB   ASN 114          2HB       ASN 114   5.523   3.405  -5.149
  381   2HB   ASN 114          3HB       ASN 114   6.174   1.908  -4.492
  382   1HD2  ASN 114          1HD2      ASN 114   4.754   3.012  -7.088
  383   2HD2  ASN 114          2HD2      ASN 114   3.746   1.679  -7.529
  384    H    PHE 115           HN       PHE 115   2.483   3.186  -1.981
  385    HA   PHE 115           HA       PHE 115   1.679   5.542  -3.568
  386   1HB   PHE 115          2HB       PHE 115   0.300   3.151  -3.201
  387   2HB   PHE 115          3HB       PHE 115  -0.476   4.265  -2.091
  388    HD1  PHE 115           1HD      PHE 115  -1.418   6.415  -2.998
  389    HD2  PHE 115           2HD      PHE 115  -0.113   3.233  -5.501
  390    HE1  PHE 115           1HE      PHE 115  -2.772   7.310  -4.838
  391    HE2  PHE 115           2HE      PHE 115  -1.464   4.126  -7.345
  392    HZ   PHE 115           HZ       PHE 115  -2.795   6.172  -7.021
  393    H    VAL 116           HN       VAL 116   2.016   4.122  -0.383
  394    HA   VAL 116           HA       VAL 116   1.085   6.632   0.824
  395    HB   VAL 116           HB       VAL 116   0.815   5.355   2.905
  396   1HG1  VAL 116          1HG1      VAL 116  -1.197   5.474   1.854
  397   2HG1  VAL 116          2HG1      VAL 116  -0.610   4.669   0.399
  398   3HG1  VAL 116          3HG1      VAL 116  -0.975   3.725   1.843
  399   1HG2  VAL 116          1HG2      VAL 116   2.035   3.482   3.110
  400   2HG2  VAL 116          2HG2      VAL 116   0.778   2.708   2.145
  401   3HG2  VAL 116          3HG2      VAL 116   2.234   3.323   1.365
  402    H    ALA 117           HN       ALA 117   2.184   7.663   2.412
  403    HA   ALA 117           HA       ALA 117   4.909   6.788   3.048
  404   1HB   ALA 117          1HB       ALA 117   4.899   8.519   1.195
  405   2HB   ALA 117          2HB       ALA 117   4.258   9.654   2.384
  406   3HB   ALA 117          3HB       ALA 117   5.846   8.926   2.626
  407    H    LYS 118           HN       LYS 118   5.498   7.212   5.162
  408    HA   LYS 118           HA       LYS 118   3.719   7.303   7.173
  409   1HB   LYS 118          2HB       LYS 118   6.537   7.823   6.929
  410   2HB   LYS 118          3HB       LYS 118   5.842   8.889   8.139
  411   1HG   LYS 118          2HG       LYS 118   6.756   6.635   8.912
  412   2HG   LYS 118          3HG       LYS 118   5.156   7.113   9.485
  413   1HD   LYS 118          2HD       LYS 118   4.084   5.536   8.233
  414   2HD   LYS 118          3HD       LYS 118   5.318   5.541   6.973
  415   1HE   LYS 118          2HE       LYS 118   5.801   3.527   7.908
  416   2HE   LYS 118          3HE       LYS 118   6.783   4.546   8.959
  417   1HZ   LYS 118          1HZ       LYS 118   5.064   2.786   9.896
  418   2HZ   LYS 118          2HZ       LYS 118   4.012   4.102   9.753
  419   3HZ   LYS 118          3HZ       LYS 118   5.402   4.232  10.707
  420    H    ALA 119           HN       ALA 119   2.565   8.732   8.363
  421    HA   ALA 119           HA       ALA 119   1.842  11.207   7.146
  422   1HB   ALA 119          1HB       ALA 119   0.674  11.478   9.509
  423   2HB   ALA 119          2HB       ALA 119   0.038  10.381   8.285
  424   3HB   ALA 119          3HB       ALA 119   1.021   9.754   9.613
  425    H    ASN 120           HN       ASN 120   4.472  11.494   7.408
  426    HA   ASN 120           HA       ASN 120   4.836  13.272   9.728
  427   1HB   ASN 120          2HB       ASN 120   6.401  11.118   8.929
  428   2HB   ASN 120          3HB       ASN 120   7.292  12.523   8.350
  429   1HD2  ASN 120          1HD2      ASN 120   7.550  14.295   9.981
  430   2HD2  ASN 120          2HD2      ASN 120   7.902  13.822  11.605
  Start of MODEL   23
    1    H    ASN  64           HN       ASN  64   1.554   2.866  12.803
    2    HA   ASN  64           HA       ASN  64   3.583   2.074  10.896
    3   1HB   ASN  64          2HB       ASN  64   1.401   0.206  11.784
    4   2HB   ASN  64          3HB       ASN  64   2.003   0.144  10.134
    5   1HD2  ASN  64          1HD2      ASN  64   2.194  -1.993  11.873
    6   2HD2  ASN  64          2HD2      ASN  64   3.860  -2.278  12.232
    7    H    LEU  65           HN       LEU  65   1.346   4.128  11.545
    8    HA   LEU  65           HA       LEU  65  -0.392   3.825   9.280
    9   1HB   LEU  65          2HB       LEU  65  -1.438   4.817  11.093
   10   2HB   LEU  65          3HB       LEU  65  -0.120   5.913  11.408
   11    HG   LEU  65           HG       LEU  65  -0.688   7.131   9.380
   12   1HD1  LEU  65          1HD1      LEU  65  -1.841   6.123   7.784
   13   2HD1  LEU  65          2HD1      LEU  65  -2.241   4.795   8.876
   14   3HD1  LEU  65          3HD1      LEU  65  -3.272   6.223   8.811
   15   1HD2  LEU  65          1HD2      LEU  65  -1.660   7.926  11.427
   16   2HD2  LEU  65          2HD2      LEU  65  -2.872   8.046  10.151
   17   3HD2  LEU  65          3HD2      LEU  65  -2.951   6.730  11.321
   18    H    VAL  66           HN       VAL  66  -0.416   4.929   7.472
   19    HA   VAL  66           HA       VAL  66   1.855   6.711   6.893
   20    HB   VAL  66           HB       VAL  66   1.638   5.799   4.542
   21   1HG1  VAL  66          1HG1      VAL  66   2.994   3.715   5.199
   22   2HG1  VAL  66          2HG1      VAL  66   3.611   5.297   5.676
   23   3HG1  VAL  66          3HG1      VAL  66   2.774   4.285   6.855
   24   1HG2  VAL  66          1HG2      VAL  66   0.852   3.430   4.435
   25   2HG2  VAL  66          2HG2      VAL  66   0.165   3.654   6.045
   26   3HG2  VAL  66          3HG2      VAL  66  -0.428   4.616   4.691
   27    H    ILE  67           HN       ILE  67   1.399   7.692   4.567
   28    HA   ILE  67           HA       ILE  67  -1.371   8.517   4.322
   29    HB   ILE  67           HB       ILE  67   0.683  10.227   5.415
   30   1HG1  ILE  67          2HG1      ILE  67  -2.261  10.432   4.872
   31   2HG1  ILE  67          3HG1      ILE  67  -1.480  10.016   6.369
   32   1HG2  ILE  67          1HG2      ILE  67   1.090  11.016   3.170
   33   2HG2  ILE  67          2HG2      ILE  67  -0.641  11.195   2.882
   34   3HG2  ILE  67          3HG2      ILE  67   0.169  12.237   4.050
   35   1HD1  ILE  67          1HD1      ILE  67  -0.598  12.597   5.556
   36   2HD1  ILE  67          2HD1      ILE  67  -2.362  12.531   5.505
   37   3HD1  ILE  67          3HD1      ILE  67  -1.507  12.134   6.996
   38    H    ALA  68           HN       ALA  68  -1.992   8.446   2.315
   39    HA   ALA  68           HA       ALA  68  -0.316   7.664   0.218
   40   1HB   ALA  68          1HB       ALA  68  -2.721   8.988  -0.713
   41   2HB   ALA  68          2HB       ALA  68  -2.225   7.303  -0.859
   42   3HB   ALA  68          3HB       ALA  68  -3.039   7.859   0.604
   43    H    LEU  69           HN       LEU  69   0.350   8.708  -1.665
   44    HA   LEU  69           HA       LEU  69   0.589  11.639  -1.456
   45   1HB   LEU  69          2HB       LEU  69   2.550   9.598  -2.489
   46   2HB   LEU  69          3HB       LEU  69   2.725  11.321  -2.767
   47    HG   LEU  69           HG       LEU  69   2.694   9.987  -0.056
   48   1HD1  LEU  69          1HD1      LEU  69   5.106  10.983  -0.123
   49   2HD1  LEU  69          2HD1      LEU  69   4.779   9.426  -0.881
   50   3HD1  LEU  69          3HD1      LEU  69   4.899  10.883  -1.870
   51   1HD2  LEU  69          1HD2      LEU  69   1.777  12.205   0.083
   52   2HD2  LEU  69          2HD2      LEU  69   3.416  12.228   0.732
   53   3HD2  LEU  69          3HD2      LEU  69   3.098  12.858  -0.884
   54    H    HIS  70           HN       HIS  70  -1.214   9.555  -2.956
   55    HA   HIS  70           HA       HIS  70  -1.621  11.142  -5.278
   56   1HB   HIS  70          2HB       HIS  70  -1.184   8.683  -6.553
   57   2HB   HIS  70          3HB       HIS  70  -0.220  10.143  -6.717
   58    HD1  HIS  70           1HD      HIS  70   2.006   8.943  -6.981
   59    HD2  HIS  70           2HD      HIS  70   0.013   7.917  -3.487
   60    HE1  HIS  70           1HE      HIS  70   3.679   7.675  -5.605
   61    HE2  HIS  70           2HE      HIS  70   2.503   7.228  -3.425
   62    H    SER  71           HN       SER  71  -3.618  10.762  -6.188
   63    HA   SER  71           HA       SER  71  -5.547   9.420  -4.671
   64   1HB   SER  71          2HB       SER  71  -6.089   9.742  -7.571
   65   2HB   SER  71          3HB       SER  71  -7.061  10.223  -6.183
   66    HG   SER  71           HG       SER  71  -5.078  11.611  -7.535
   67    H    TYR  72           HN       TYR  72  -6.040   7.335  -4.487
   68    HA   TYR  72           HA       TYR  72  -4.917   5.481  -6.474
   69   1HB   TYR  72          2HB       TYR  72  -4.291   5.181  -4.065
   70   2HB   TYR  72          3HB       TYR  72  -5.969   4.790  -3.734
   71    HD1  TYR  72           1HD      TYR  72  -6.146   2.539  -3.279
   72    HD2  TYR  72           2HD      TYR  72  -3.648   3.778  -6.491
   73    HE1  TYR  72           1HE      TYR  72  -5.741   0.188  -3.866
   74    HE2  TYR  72           2HE      TYR  72  -3.245   1.430  -7.088
   75    HH   TYR  72           HH       TYR  72  -5.086  -1.117  -5.866
   76    H    GLU  73           HN       GLU  73  -6.074   3.846  -7.394
   77    HA   GLU  73           HA       GLU  73  -8.958   3.768  -6.978
   78   1HB   GLU  73          2HB       GLU  73  -7.633   4.812  -9.250
   79   2HB   GLU  73          3HB       GLU  73  -8.450   3.338  -9.724
   80   1HG   GLU  73          2HG       GLU  73 -10.549   4.184  -9.038
   81   2HG   GLU  73          3HG       GLU  73  -9.791   5.542  -8.206
   82    HA   PRO  74           HA       PRO  74  -7.361  -0.445  -6.193
   83   1HB   PRO  74          2HB       PRO  74 -10.167  -1.134  -6.182
   84   2HB   PRO  74          3HB       PRO  74  -9.034  -1.086  -4.832
   85   1HG   PRO  74          2HG       PRO  74 -10.979   0.938  -5.705
   86   2HG   PRO  74          3HG       PRO  74 -10.206   0.724  -4.126
   87   1HD   PRO  74          2HD       PRO  74  -9.563   2.772  -5.777
   88   2HD   PRO  74          3HD       PRO  74  -8.359   1.985  -4.730
   89    H    SER  75           HN       SER  75  -6.867  -1.972  -7.606
   90    HA   SER  75           HA       SER  75  -8.564  -2.337  -9.980
   91   1HB   SER  75          2HB       SER  75  -6.160  -1.102 -10.148
   92   2HB   SER  75          3HB       SER  75  -5.659  -2.782 -10.341
   93    HG   SER  75           HG       SER  75  -7.425  -2.855 -11.970
   94    H    HIS  76           HN       HIS  76  -6.079  -3.721  -7.866
   95    HA   HIS  76           HA       HIS  76  -6.487  -6.390  -8.871
   96   1HB   HIS  76          2HB       HIS  76  -4.665  -5.070  -6.974
   97   2HB   HIS  76          3HB       HIS  76  -5.119  -6.708  -6.516
   98    HD1  HIS  76           1HD      HIS  76  -4.653  -5.667 -10.102
   99    HD2  HIS  76           2HD      HIS  76  -2.681  -7.844  -7.163
  100    HE1  HIS  76           1HE      HIS  76  -2.764  -6.833 -11.282
  101    HE2  HIS  76           2HE      HIS  76  -1.636  -8.209  -9.499
  102    H    ASP  77           HN       ASP  77  -7.199  -8.182  -7.535
  103    HA   ASP  77           HA       ASP  77  -9.657  -7.638  -6.236
  104   1HB   ASP  77          2HB       ASP  77  -9.544 -10.097  -5.625
  105   2HB   ASP  77          3HB       ASP  77  -9.446  -9.734  -7.345
  106    H    GLY  78           HN       GLY  78 -10.159  -7.367  -4.133
  107   1HA   GLY  78          1HA       GLY  78  -9.911  -7.265  -1.839
  108   2HA   GLY  78          2HA       GLY  78  -8.464  -8.246  -2.002
  109    H    ASP  79           HN       ASP  79  -9.019  -5.159  -3.608
  110    HA   ASP  79           HA       ASP  79  -6.713  -4.089  -2.142
  111   1HB   ASP  79          2HB       ASP  79  -7.930  -3.306  -4.792
  112   2HB   ASP  79          3HB       ASP  79  -6.651  -2.390  -3.999
  113    H    LEU  80           HN       LEU  80  -6.737  -1.897  -1.451
  114    HA   LEU  80           HA       LEU  80  -9.432  -0.929  -0.770
  115   1HB   LEU  80          2HB       LEU  80  -8.490  -1.354   1.287
  116   2HB   LEU  80          3HB       LEU  80  -6.863  -1.027   0.733
  117    HG   LEU  80           HG       LEU  80  -7.478   1.417   0.702
  118   1HD1  LEU  80          1HD1      LEU  80 -10.007   0.258   1.694
  119   2HD1  LEU  80          2HD1      LEU  80  -9.441   1.726   2.492
  120   3HD1  LEU  80          3HD1      LEU  80  -9.720   1.719   0.750
  121   1HD2  LEU  80          1HD2      LEU  80  -7.221   1.674   3.122
  122   2HD2  LEU  80          2HD2      LEU  80  -7.605  -0.034   3.340
  123   3HD2  LEU  80          3HD2      LEU  80  -6.138   0.438   2.482
  124    H    GLY  81           HN       GLY  81 -10.011   1.071  -1.421
  125   1HA   GLY  81          1HA       GLY  81  -8.041   2.570  -2.984
  126   2HA   GLY  81          2HA       GLY  81  -9.777   2.781  -3.061
  127    H    PHE  82           HN       PHE  82  -7.491   4.655  -2.613
  128    HA   PHE  82           HA       PHE  82  -8.705   6.077  -0.384
  129   1HB   PHE  82          2HB       PHE  82  -6.262   6.649   0.352
  130   2HB   PHE  82          3HB       PHE  82  -7.015   5.156   0.891
  131    HD1  PHE  82           1HD      PHE  82  -4.139   6.556  -0.519
  132    HD2  PHE  82           2HD      PHE  82  -6.588   3.083  -0.699
  133    HE1  PHE  82           1HE      PHE  82  -2.249   5.276  -1.457
  134    HE2  PHE  82           2HE      PHE  82  -4.711   1.808  -1.643
  135    HZ   PHE  82           HZ       PHE  82  -2.540   2.900  -2.016
  136    H    GLU  83           HN       GLU  83  -7.488   8.287  -0.160
  137    HA   GLU  83           HA       GLU  83  -7.248   9.354  -2.892
  138   1HB   GLU  83          2HB       GLU  83  -8.630  10.234  -0.489
  139   2HB   GLU  83          3HB       GLU  83  -7.610  11.495  -1.162
  140   1HG   GLU  83          2HG       GLU  83  -8.895  10.454  -3.366
  141   2HG   GLU  83          3HG       GLU  83 -10.129  10.432  -2.109
  142    H    LYS  84           HN       LYS  84  -5.922  11.493  -2.889
  143    HA   LYS  84           HA       LYS  84  -3.274  10.820  -2.045
  144   1HB   LYS  84          2HB       LYS  84  -3.313  12.001  -4.051
  145   2HB   LYS  84          3HB       LYS  84  -4.524  13.134  -3.476
  146   1HG   LYS  84          2HG       LYS  84  -2.613  13.871  -1.837
  147   2HG   LYS  84          3HG       LYS  84  -1.574  13.119  -3.045
  148   1HD   LYS  84          2HD       LYS  84  -3.677  15.091  -3.847
  149   2HD   LYS  84          3HD       LYS  84  -2.114  15.641  -3.244
  150   1HE   LYS  84          2HE       LYS  84  -1.320  13.803  -5.051
  151   2HE   LYS  84          3HE       LYS  84  -2.820  14.350  -5.799
  152   1HZ   LYS  84          1HZ       LYS  84  -0.553  16.085  -4.971
  153   2HZ   LYS  84          2HZ       LYS  84  -1.999  16.628  -5.660
  154   3HZ   LYS  84          3HZ       LYS  84  -0.948  15.657  -6.561
  155    H    GLY  85           HN       GLY  85  -2.302  11.320  -0.193
  156   1HA   GLY  85          1HA       GLY  85  -1.795  12.557   1.736
  157   2HA   GLY  85          2HA       GLY  85  -3.185  13.593   1.406
  158    H    GLU  86           HN       GLU  86  -4.607  10.822   0.972
  159    HA   GLU  86           HA       GLU  86  -6.011  10.725   3.362
  160   1HB   GLU  86          2HB       GLU  86  -6.247   9.522   0.939
  161   2HB   GLU  86          3HB       GLU  86  -5.664   8.176   1.899
  162   1HG   GLU  86          2HG       GLU  86  -8.280   9.069   1.612
  163   2HG   GLU  86          3HG       GLU  86  -7.682   7.812   2.672
  164    H    GLN  87           HN       GLN  87  -6.061   8.826   4.864
  165    HA   GLN  87           HA       GLN  87  -3.329   7.875   5.395
  166   1HB   GLN  87          2HB       GLN  87  -5.316   8.412   7.581
  167   2HB   GLN  87          3HB       GLN  87  -3.583   8.176   7.714
  168   1HG   GLN  87          2HG       GLN  87  -3.115  10.313   7.277
  169   2HG   GLN  87          3HG       GLN  87  -4.369  10.443   6.050
  170   1HE2  GLN  87          1HE2      GLN  87  -4.482   9.647   9.500
  171   2HE2  GLN  87          2HE2      GLN  87  -5.592  10.897   9.931
  172    H    LEU  88           HN       LEU  88  -3.080   5.865   6.231
  173    HA   LEU  88           HA       LEU  88  -5.397   4.133   6.579
  174   1HB   LEU  88          2HB       LEU  88  -3.265   3.013   4.857
  175   2HB   LEU  88          3HB       LEU  88  -4.978   2.655   4.895
  176    HG   LEU  88           HG       LEU  88  -4.398   5.342   3.898
  177   1HD1  LEU  88          1HD1      LEU  88  -3.715   3.263   1.927
  178   2HD1  LEU  88          2HD1      LEU  88  -3.099   4.906   2.111
  179   3HD1  LEU  88          3HD1      LEU  88  -2.489   3.614   3.149
  180   1HD2  LEU  88          1HD2      LEU  88  -6.577   4.116   3.832
  181   2HD2  LEU  88          2HD2      LEU  88  -6.028   4.736   2.274
  182   3HD2  LEU  88          3HD2      LEU  88  -5.846   3.020   2.651
  183    H    ARG  89           HN       ARG  89  -5.066   2.823   8.215
  184    HA   ARG  89           HA       ARG  89  -2.488   2.739   9.468
  185   1HB   ARG  89          2HB       ARG  89  -4.327   2.899  10.947
  186   2HB   ARG  89          3HB       ARG  89  -5.197   1.603  10.136
  187   1HG   ARG  89          2HG       ARG  89  -3.632  -0.012  10.945
  188   2HG   ARG  89          3HG       ARG  89  -2.636   1.257  11.643
  189   1HD   ARG  89          2HD       ARG  89  -4.767   1.899  12.933
  190   2HD   ARG  89          3HD       ARG  89  -5.323   0.287  12.519
  191    HE   ARG  89           HE       ARG  89  -2.707   0.416  13.741
  192   1HH1  ARG  89          2HH1      ARG  89  -6.139   0.053  14.271
  193   2HH1  ARG  89          1HH1      ARG  89  -5.946  -0.731  15.802
  194   1HH2  ARG  89          2HH2      ARG  89  -2.454  -0.615  15.757
  195   2HH2  ARG  89          1HH2      ARG  89  -3.855  -1.111  16.646
  196    H    ILE  90           HN       ILE  90  -1.054   1.540   8.448
  197    HA   ILE  90           HA       ILE  90  -1.556  -0.641   6.800
  198    HB   ILE  90           HB       ILE  90   1.023  -0.154   8.290
  199   1HG1  ILE  90          2HG1      ILE  90   0.227   1.878   7.135
  200   2HG1  ILE  90          3HG1      ILE  90   1.693   1.246   6.417
  201   1HG2  ILE  90          1HG2      ILE  90   0.317  -2.230   6.650
  202   2HG2  ILE  90          2HG2      ILE  90   1.114  -1.111   5.543
  203   3HG2  ILE  90          3HG2      ILE  90   1.965  -1.690   6.975
  204   1HD1  ILE  90          1HD1      ILE  90  -0.587   0.125   5.106
  205   2HD1  ILE  90          2HD1      ILE  90  -0.715   1.883   5.144
  206   3HD1  ILE  90          3HD1      ILE  90   0.711   1.118   4.442
  207    H    LEU  91           HN       LEU  91  -2.447  -2.448   7.319
  208    HA   LEU  91           HA       LEU  91  -2.274  -3.613   9.950
  209   1HB   LEU  91          2HB       LEU  91  -3.374  -4.896   7.457
  210   2HB   LEU  91          3HB       LEU  91  -3.819  -5.218   9.121
  211    HG   LEU  91           HG       LEU  91  -4.405  -2.678   7.606
  212   1HD1  LEU  91          1HD1      LEU  91  -6.817  -3.694   8.235
  213   2HD1  LEU  91          2HD1      LEU  91  -6.003  -3.940   6.690
  214   3HD1  LEU  91          3HD1      LEU  91  -5.902  -5.176   7.943
  215   1HD2  LEU  91          1HD2      LEU  91  -4.635  -1.767   9.624
  216   2HD2  LEU  91          2HD2      LEU  91  -6.039  -2.811   9.841
  217   3HD2  LEU  91          3HD2      LEU  91  -4.458  -3.327  10.427
  218    H    GLU  92           HN       GLU  92  -1.240  -4.351   6.682
  219    HA   GLU  92           HA       GLU  92   1.054  -5.813   7.712
  220   1HB   GLU  92          2HB       GLU  92  -1.194  -7.083   6.462
  221   2HB   GLU  92          3HB       GLU  92   0.217  -7.239   5.422
  222   1HG   GLU  92          2HG       GLU  92   0.943  -8.893   6.687
  223   2HG   GLU  92          3HG       GLU  92   1.093  -7.759   8.033
  224    H    GLN  93           HN       GLN  93   2.796  -5.963   6.144
  225    HA   GLN  93           HA       GLN  93   2.474  -4.239   3.817
  226   1HB   GLN  93          2HB       GLN  93   4.891  -3.409   4.625
  227   2HB   GLN  93          3HB       GLN  93   3.401  -2.581   5.032
  228   1HG   GLN  93          2HG       GLN  93   3.311  -3.859   7.115
  229   2HG   GLN  93          3HG       GLN  93   4.849  -4.575   6.692
  230   1HE2  GLN  93          1HE2      GLN  93   6.314  -3.757   8.029
  231   2HE2  GLN  93          2HE2      GLN  93   6.534  -2.079   8.373
  232    H    SER  94           HN       SER  94   2.698  -7.051   3.919
  233    HA   SER  94           HA       SER  94   5.424  -7.700   3.204
  234   1HB   SER  94          2HB       SER  94   4.751  -9.689   3.964
  235   2HB   SER  94          3HB       SER  94   3.070  -9.166   4.005
  236    HG   SER  94           HG       SER  94   4.025 -10.967   2.452
  237    H    GLY  95           HN       GLY  95   6.224  -7.814   1.203
  238   1HA   GLY  95          1HA       GLY  95   6.305  -7.844  -1.111
  239   2HA   GLY  95          2HA       GLY  95   4.606  -8.270  -1.108
  240    H    GLU  96           HN       GLU  96   5.586  -6.681  -3.011
  241    HA   GLU  96           HA       GLU  96   5.689  -3.966  -2.740
  242   1HB   GLU  96          2HB       GLU  96   6.061  -4.497  -4.895
  243   2HB   GLU  96          3HB       GLU  96   4.944  -5.856  -4.847
  244   1HG   GLU  96          2HG       GLU  96   3.097  -4.438  -5.112
  245   2HG   GLU  96          3HG       GLU  96   4.100  -2.997  -4.975
  246    H    TRP  97           HN       TRP  97   2.929  -5.975  -2.204
  247    HA   TRP  97           HA       TRP  97   1.192  -3.605  -2.181
  248   1HB   TRP  97          2HB       TRP  97   0.621  -6.537  -2.538
  249   2HB   TRP  97          3HB       TRP  97  -0.650  -5.397  -2.107
  250    HD1  TRP  97           1HD      TRP  97   1.707  -6.295  -4.991
  251    HE1  TRP  97           1HE      TRP  97   0.844  -5.173  -7.140
  252    HE3  TRP  97           3HE      TRP  97  -2.047  -3.475  -2.980
  253    HZ2  TRP  97           2HZ      TRP  97  -1.163  -3.328  -7.881
  254    HZ3  TRP  97           3HZ      TRP  97  -3.387  -2.057  -4.468
  255    HH2  TRP  97           2HH      TRP  97  -2.951  -1.981  -6.870
  256    H    TRP  98           HN       TRP  98   0.788  -2.751  -0.257
  257    HA   TRP  98           HA       TRP  98   1.116  -4.406   2.136
  258   1HB   TRP  98          2HB       TRP  98   1.105  -1.422   1.732
  259   2HB   TRP  98          3HB       TRP  98   1.095  -2.179   3.317
  260    HD1  TRP  98           1HD      TRP  98   3.194  -4.287   1.226
  261    HE1  TRP  98           1HE      TRP  98   5.691  -3.750   1.571
  262    HE3  TRP  98           3HE      TRP  98   2.705   0.153   3.654
  263    HZ2  TRP  98           2HZ      TRP  98   7.247  -1.678   2.725
  264    HZ3  TRP  98           3HZ      TRP  98   4.731   1.371   4.344
  265    HH2  TRP  98           2HH      TRP  98   6.959   0.468   3.892
  266    H    LYS  99           HN       LYS  99  -0.457  -4.705   3.617
  267    HA   LYS  99           HA       LYS  99  -3.176  -4.093   2.817
  268   1HB   LYS  99          2HB       LYS  99  -2.748  -6.323   3.671
  269   2HB   LYS  99          3HB       LYS  99  -2.027  -5.665   5.129
  270   1HG   LYS  99          2HG       LYS  99  -4.431  -6.583   5.227
  271   2HG   LYS  99          3HG       LYS  99  -4.062  -5.054   6.028
  272   1HD   LYS  99          2HD       LYS  99  -5.091  -3.797   4.396
  273   2HD   LYS  99          3HD       LYS  99  -5.053  -5.106   3.212
  274   1HE   LYS  99          2HE       LYS  99  -6.520  -5.955   5.515
  275   2HE   LYS  99          3HE       LYS  99  -7.142  -4.398   4.978
  276   1HZ   LYS  99          1HZ       LYS  99  -7.415  -6.974   3.772
  277   2HZ   LYS  99          2HZ       LYS  99  -6.836  -5.826   2.674
  278   3HZ   LYS  99          3HZ       LYS  99  -8.294  -5.555   3.489
  279    H    ALA 100           HN       ALA 100  -4.026  -2.172   3.375
  280    HA   ALA 100           HA       ALA 100  -3.210  -1.024   5.965
  281   1HB   ALA 100          1HB       ALA 100  -2.554   0.132   3.682
  282   2HB   ALA 100          2HB       ALA 100  -4.197   0.770   3.811
  283   3HB   ALA 100          3HB       ALA 100  -3.027   1.074   5.098
  284    H    GLN 101           HN       GLN 101  -4.740  -0.115   7.261
  285    HA   GLN 101           HA       GLN 101  -7.520  -0.592   6.434
  286   1HB   GLN 101          2HB       GLN 101  -7.025  -1.871   8.400
  287   2HB   GLN 101          3HB       GLN 101  -6.273  -0.496   9.190
  288   1HG   GLN 101          2HG       GLN 101  -8.544   0.589   9.010
  289   2HG   GLN 101          3HG       GLN 101  -9.176  -0.996   8.634
  290   1HE2  GLN 101          1HE2      GLN 101  -7.638   0.985  11.058
  291   2HE2  GLN 101          2HE2      GLN 101  -8.015  -0.023  12.409
  292    H    SER 102           HN       SER 102  -8.399   1.213   5.730
  293    HA   SER 102           HA       SER 102  -7.434   3.766   5.986
  294   1HB   SER 102          2HB       SER 102  -9.842   2.476   5.065
  295   2HB   SER 102          3HB       SER 102 -10.211   3.992   5.848
  296    HG   SER 102           HG       SER 102  -9.009   5.079   4.394
  297    H    LEU 103           HN       LEU 103  -8.543   5.606   7.156
  298    HA   LEU 103           HA       LEU 103  -9.289   4.728   9.868
  299   1HB   LEU 103          2HB       LEU 103  -7.385   6.874   9.022
  300   2HB   LEU 103          3HB       LEU 103  -8.117   6.856  10.613
  301    HG   LEU 103           HG       LEU 103  -7.206   4.299  10.440
  302   1HD1  LEU 103          1HD1      LEU 103  -4.833   4.570   9.613
  303   2HD1  LEU 103          2HD1      LEU 103  -6.105   4.488   8.391
  304   3HD1  LEU 103          3HD1      LEU 103  -5.393   6.043   8.820
  305   1HD2  LEU 103          1HD2      LEU 103  -5.699   4.846  12.089
  306   2HD2  LEU 103          2HD2      LEU 103  -5.317   6.415  11.370
  307   3HD2  LEU 103          3HD2      LEU 103  -6.857   6.177  12.199
  308    H    THR 104           HN       THR 104  -9.934   6.847   7.238
  309    HA   THR 104           HA       THR 104 -11.753   8.518   8.740
  310    HB   THR 104           HB       THR 104 -11.648   8.347   5.745
  311    HG1  THR 104           1HG      THR 104  -9.537   8.587   6.061
  312   1HG2  THR 104          1HG2      THR 104 -12.179  10.488   7.744
  313   2HG2  THR 104          2HG2      THR 104 -13.216   9.896   6.444
  314   3HG2  THR 104          3HG2      THR 104 -11.783  10.855   6.065
  315    H    THR 105           HN       THR 105 -11.788   5.932   6.420
  316    HA   THR 105           HA       THR 105 -14.684   5.518   6.724
  317    HB   THR 105           HB       THR 105 -14.686   4.709   4.597
  318    HG1  THR 105           1HG      THR 105 -11.956   4.022   4.780
  319   1HG2  THR 105          1HG2      THR 105 -13.841   6.953   4.322
  320   2HG2  THR 105          2HG2      THR 105 -13.150   5.879   3.105
  321   3HG2  THR 105          3HG2      THR 105 -12.190   6.359   4.506
  322    H    GLY 106           HN       GLY 106 -11.552   4.135   6.876
  323   1HA   GLY 106          1HA       GLY 106 -10.671   2.473   8.112
  324   2HA   GLY 106          2HA       GLY 106 -12.259   2.095   8.723
  325    H    GLN 107           HN       GLN 107 -12.539   2.194   5.438
  326    HA   GLN 107           HA       GLN 107 -13.033  -0.456   5.065
  327   1HB   GLN 107          2HB       GLN 107 -12.347   1.806   3.312
  328   2HB   GLN 107          3HB       GLN 107 -12.360   0.199   2.608
  329   1HG   GLN 107          2HG       GLN 107 -14.538   0.516   2.336
  330   2HG   GLN 107          3HG       GLN 107 -14.643   0.226   4.072
  331   1HE2  GLN 107          1HE2      GLN 107 -15.918   1.631   5.014
  332   2HE2  GLN 107          2HE2      GLN 107 -16.058   3.309   4.629
  333    H    GLU 108           HN       GLU 108 -11.842  -2.184   5.096
  334    HA   GLU 108           HA       GLU 108  -8.947  -1.947   5.076
  335   1HB   GLU 108          2HB       GLU 108 -10.708  -4.348   5.549
  336   2HB   GLU 108          3HB       GLU 108  -8.969  -4.312   5.742
  337   1HG   GLU 108          2HG       GLU 108  -9.141  -3.506   7.780
  338   2HG   GLU 108          3HG       GLU 108 -10.184  -2.194   7.245
  339    H    GLY 109           HN       GLY 109  -7.557  -2.970   3.668
  340   1HA   GLY 109          1HA       GLY 109  -8.176  -4.786   1.672
  341   2HA   GLY 109          2HA       GLY 109  -8.449  -3.196   0.977
  342    H    PHE 110           HN       PHE 110  -6.642  -4.498  -0.319
  343    HA   PHE 110           HA       PHE 110  -3.996  -4.126   0.778
  344   1HB   PHE 110          2HB       PHE 110  -5.210  -5.515  -1.525
  345   2HB   PHE 110          3HB       PHE 110  -3.607  -4.861  -1.804
  346    HD1  PHE 110           1HD      PHE 110  -2.153  -6.660  -1.805
  347    HD2  PHE 110           2HD      PHE 110  -5.108  -6.370   1.244
  348    HE1  PHE 110           1HE      PHE 110  -1.167  -8.609  -0.671
  349    HE2  PHE 110           2HE      PHE 110  -4.126  -8.317   2.385
  350    HZ   PHE 110           HZ       PHE 110  -2.154  -9.439   1.427
  351    H    ILE 111           HN       ILE 111  -2.387  -2.783  -0.199
  352    HA   ILE 111           HA       ILE 111  -3.310  -0.813  -2.143
  353    HB   ILE 111           HB       ILE 111  -2.580   1.093  -0.801
  354   1HG1  ILE 111          2HG1      ILE 111  -2.427  -0.623   1.644
  355   2HG1  ILE 111          3HG1      ILE 111  -1.039  -0.539   0.571
  356   1HG2  ILE 111          1HG2      ILE 111  -4.945   0.099  -0.709
  357   2HG2  ILE 111          2HG2      ILE 111  -4.501  -0.442   0.911
  358   3HG2  ILE 111          3HG2      ILE 111  -4.485   1.279   0.517
  359   1HD1  ILE 111          1HD1      ILE 111  -0.519   1.114   2.026
  360   2HD1  ILE 111          2HD1      ILE 111  -1.411   2.043   0.821
  361   3HD1  ILE 111          3HD1      ILE 111  -2.205   1.546   2.315
  362    HA   PRO 112           HA       PRO 112   0.710  -1.178  -3.869
  363   1HB   PRO 112          2HB       PRO 112   0.959   1.553  -4.535
  364   2HB   PRO 112          3HB       PRO 112   0.334   0.271  -5.573
  365   1HG   PRO 112          2HG       PRO 112  -1.136   2.280  -3.983
  366   2HG   PRO 112          3HG       PRO 112  -1.601   1.458  -5.468
  367   1HD   PRO 112          2HD       PRO 112  -2.656   0.854  -3.056
  368   2HD   PRO 112          3HD       PRO 112  -2.476  -0.329  -4.357
  369    H    PHE 113           HN       PHE 113   2.283  -1.502  -2.361
  370    HA   PHE 113           HA       PHE 113   2.753  -0.079  -0.069
  371   1HB   PHE 113          2HB       PHE 113   4.731  -1.267   0.175
  372   2HB   PHE 113          3HB       PHE 113   3.805  -2.296  -0.909
  373    HD1  PHE 113           1HD      PHE 113   4.197  -1.014  -3.503
  374    HD2  PHE 113           2HD      PHE 113   6.950  -1.615  -0.315
  375    HE1  PHE 113           1HE      PHE 113   6.062  -0.968  -5.109
  376    HE2  PHE 113           2HE      PHE 113   8.819  -1.572  -1.913
  377    HZ   PHE 113           HZ       PHE 113   8.376  -1.249  -4.314
  378    H    ASN 114           HN       ASN 114   3.630   0.838  -3.299
  379    HA   ASN 114           HA       ASN 114   5.374   2.966  -2.316
  380   1HB   ASN 114          2HB       ASN 114   6.033   3.269  -4.610
  381   2HB   ASN 114          3HB       ASN 114   6.081   1.549  -4.251
  382   1HD2  ASN 114          1HD2      ASN 114   4.399   0.214  -5.064
  383   2HD2  ASN 114          2HD2      ASN 114   3.499   0.684  -6.459
  384    H    PHE 115           HN       PHE 115   2.460   2.984  -1.878
  385    HA   PHE 115           HA       PHE 115   1.799   5.448  -3.359
  386   1HB   PHE 115          2HB       PHE 115   0.408   3.000  -3.288
  387   2HB   PHE 115          3HB       PHE 115  -0.535   4.123  -2.326
  388    HD1  PHE 115           1HD      PHE 115  -2.281   4.952  -3.500
  389    HD2  PHE 115           2HD      PHE 115   1.443   4.437  -5.480
  390    HE1  PHE 115           1HE      PHE 115  -3.243   5.914  -5.533
  391    HE2  PHE 115           2HE      PHE 115   0.488   5.404  -7.531
  392    HZ   PHE 115           HZ       PHE 115  -1.862   6.148  -7.562
  393    H    VAL 116           HN       VAL 116   3.003   4.855  -0.544
  394    HA   VAL 116           HA       VAL 116   1.372   6.853   0.777
  395    HB   VAL 116           HB       VAL 116   1.125   5.478   2.846
  396   1HG1  VAL 116          1HG1      VAL 116  -0.614   5.841   0.981
  397   2HG1  VAL 116          2HG1      VAL 116  -0.311   4.150   0.583
  398   3HG1  VAL 116          3HG1      VAL 116  -0.911   4.584   2.183
  399   1HG2  VAL 116          1HG2      VAL 116   1.076   2.897   2.020
  400   2HG2  VAL 116          2HG2      VAL 116   2.463   3.508   1.117
  401   3HG2  VAL 116          3HG2      VAL 116   2.429   3.635   2.878
  402    H    ALA 117           HN       ALA 117   2.296   7.842   2.542
  403    HA   ALA 117           HA       ALA 117   5.032   7.113   3.279
  404   1HB   ALA 117          1HB       ALA 117   5.771   8.754   1.913
  405   2HB   ALA 117          2HB       ALA 117   4.201   9.555   1.852
  406   3HB   ALA 117          3HB       ALA 117   5.265   9.808   3.234
  407    H    LYS 118           HN       LYS 118   5.486   7.502   5.415
  408    HA   LYS 118           HA       LYS 118   3.619   7.507   7.344
  409   1HB   LYS 118          2HB       LYS 118   6.297   8.897   7.472
  410   2HB   LYS 118          3HB       LYS 118   5.312   8.510   8.876
  411   1HG   LYS 118          2HG       LYS 118   6.678   6.615   6.990
  412   2HG   LYS 118          3HG       LYS 118   6.941   6.818   8.724
  413   1HD   LYS 118          2HD       LYS 118   4.679   5.979   9.155
  414   2HD   LYS 118          3HD       LYS 118   4.433   5.763   7.422
  415   1HE   LYS 118          2HE       LYS 118   6.343   4.299   9.228
  416   2HE   LYS 118          3HE       LYS 118   5.008   3.633   8.287
  417   1HZ   LYS 118          1HZ       LYS 118   7.698   4.344   7.444
  418   2HZ   LYS 118          2HZ       LYS 118   6.461   4.708   6.350
  419   3HZ   LYS 118          3HZ       LYS 118   6.674   3.118   6.884
  420    H    ALA 119           HN       ALA 119   2.340   8.873   8.471
  421    HA   ALA 119           HA       ALA 119   1.629  11.363   7.289
  422   1HB   ALA 119          1HB       ALA 119   0.310  11.565   9.552
  423   2HB   ALA 119          2HB       ALA 119  -0.192  10.406   8.322
  424   3HB   ALA 119          3HB       ALA 119   0.748   9.866   9.720
  425    H    ASN 120           HN       ASN 120   4.201  11.787   7.643
  426    HA   ASN 120           HA       ASN 120   4.301  13.710   9.860
  427   1HB   ASN 120          2HB       ASN 120   6.081  11.416   9.372
  428   2HB   ASN 120          3HB       ASN 120   6.917  12.939   9.664
  429   1HD2  ASN 120          1HD2      ASN 120   5.706  10.263  11.105
  430   2HD2  ASN 120          2HD2      ASN 120   5.485  10.866  12.709
  Start of MODEL   24
    1    H    ASN  64           HN       ASN  64   1.009   2.844  12.875
    2    HA   ASN  64           HA       ASN  64   3.341   2.324  11.355
    3   1HB   ASN  64          2HB       ASN  64   1.386   0.083  11.707
    4   2HB   ASN  64          3HB       ASN  64   2.115   0.320  10.124
    5   1HD2  ASN  64          1HD2      ASN  64   2.480  -1.968  11.660
    6   2HD2  ASN  64          2HD2      ASN  64   4.143  -2.065  12.114
    7    H    LEU  65           HN       LEU  65   1.112   4.215  11.677
    8    HA   LEU  65           HA       LEU  65  -0.504   3.903   9.333
    9   1HB   LEU  65          2HB       LEU  65  -1.586   4.945  11.106
   10   2HB   LEU  65          3HB       LEU  65  -0.278   6.062  11.397
   11    HG   LEU  65           HG       LEU  65  -0.806   7.179   9.294
   12   1HD1  LEU  65          1HD1      LEU  65  -3.385   6.238   8.742
   13   2HD1  LEU  65          2HD1      LEU  65  -1.943   6.104   7.735
   14   3HD1  LEU  65          3HD1      LEU  65  -2.345   4.821   8.877
   15   1HD2  LEU  65          1HD2      LEU  65  -2.956   8.174   9.993
   16   2HD2  LEU  65          2HD2      LEU  65  -3.134   6.885  11.182
   17   3HD2  LEU  65          3HD2      LEU  65  -1.806   8.037  11.324
   18    H    VAL  66           HN       VAL  66  -0.461   4.958   7.515
   19    HA   VAL  66           HA       VAL  66   1.857   6.675   6.920
   20    HB   VAL  66           HB       VAL  66   1.590   5.732   4.576
   21   1HG1  VAL  66          1HG1      VAL  66   2.720   4.237   6.903
   22   2HG1  VAL  66          2HG1      VAL  66   2.895   3.621   5.259
   23   3HG1  VAL  66          3HG1      VAL  66   3.564   5.195   5.687
   24   1HG2  VAL  66          1HG2      VAL  66   0.739   3.391   4.511
   25   2HG2  VAL  66          2HG2      VAL  66   0.091   3.643   6.131
   26   3HG2  VAL  66          3HG2      VAL  66  -0.507   4.608   4.783
   27    H    ILE  67           HN       ILE  67   1.406   7.624   4.567
   28    HA   ILE  67           HA       ILE  67  -1.343   8.498   4.314
   29    HB   ILE  67           HB       ILE  67   0.723  10.197   5.406
   30   1HG1  ILE  67          2HG1      ILE  67  -2.222  10.399   4.867
   31   2HG1  ILE  67          3HG1      ILE  67  -1.434  10.007   6.367
   32   1HG2  ILE  67          1HG2      ILE  67   1.126  10.971   3.151
   33   2HG2  ILE  67          2HG2      ILE  67  -0.605  11.169   2.876
   34   3HG2  ILE  67          3HG2      ILE  67   0.226  12.204   4.036
   35   1HD1  ILE  67          1HD1      ILE  67  -2.311  12.514   5.449
   36   2HD1  ILE  67          2HD1      ILE  67  -1.496  12.129   6.966
   37   3HD1  ILE  67          3HD1      ILE  67  -0.549  12.572   5.545
   38    H    ALA  68           HN       ALA  68  -1.962   8.470   2.304
   39    HA   ALA  68           HA       ALA  68  -0.263   7.672   0.213
   40   1HB   ALA  68          1HB       ALA  68  -2.948   7.694   0.575
   41   2HB   ALA  68          2HB       ALA  68  -2.749   8.985  -0.610
   42   3HB   ALA  68          3HB       ALA  68  -2.146   7.366  -0.962
   43    H    LEU  69           HN       LEU  69   0.368   8.725  -1.680
   44    HA   LEU  69           HA       LEU  69   0.568  11.658  -1.462
   45   1HB   LEU  69          2HB       LEU  69   2.550   9.648  -2.519
   46   2HB   LEU  69          3HB       LEU  69   2.700  11.375  -2.788
   47    HG   LEU  69           HG       LEU  69   2.710  10.021  -0.087
   48   1HD1  LEU  69          1HD1      LEU  69   4.799   9.509  -0.932
   49   2HD1  LEU  69          2HD1      LEU  69   4.881  10.976  -1.911
   50   3HD1  LEU  69          3HD1      LEU  69   5.102  11.067  -0.164
   51   1HD2  LEU  69          1HD2      LEU  69   3.395  12.270   0.715
   52   2HD2  LEU  69          2HD2      LEU  69   3.052  12.908  -0.892
   53   3HD2  LEU  69          3HD2      LEU  69   1.750  12.220   0.079
   54    H    HIS  70           HN       HIS  70  -1.248   9.597  -2.946
   55    HA   HIS  70           HA       HIS  70  -1.665  11.179  -5.267
   56   1HB   HIS  70          2HB       HIS  70  -1.240   8.732  -6.557
   57   2HB   HIS  70          3HB       HIS  70  -0.262  10.185  -6.709
   58    HD1  HIS  70           1HD      HIS  70   1.942   8.939  -6.998
   59    HD2  HIS  70           2HD      HIS  70  -0.038   7.955  -3.484
   60    HE1  HIS  70           1HE      HIS  70   3.605   7.648  -5.633
   61    HE2  HIS  70           2HE      HIS  70   2.443   7.229  -3.441
   62    H    SER  71           HN       SER  71  -3.663  10.790  -6.177
   63    HA   SER  71           HA       SER  71  -5.582   9.449  -4.644
   64   1HB   SER  71          2HB       SER  71  -6.145   9.793  -7.538
   65   2HB   SER  71          3HB       SER  71  -7.109  10.260  -6.139
   66    HG   SER  71           HG       SER  71  -5.465  11.937  -5.814
   67    H    TYR  72           HN       TYR  72  -6.083   7.368  -4.470
   68    HA   TYR  72           HA       TYR  72  -4.987   5.516  -6.477
   69   1HB   TYR  72          2HB       TYR  72  -4.329   5.211  -4.073
   70   2HB   TYR  72          3HB       TYR  72  -6.001   4.817  -3.724
   71    HD1  TYR  72           1HD      TYR  72  -3.719   3.815  -6.515
   72    HD2  TYR  72           2HD      TYR  72  -6.167   2.565  -3.270
   73    HE1  TYR  72           1HE      TYR  72  -3.320   1.469  -7.123
   74    HE2  TYR  72           2HE      TYR  72  -5.765   0.217  -3.864
   75    HH   TYR  72           HH       TYR  72  -5.144  -1.064  -5.957
   76    H    GLU  73           HN       GLU  73  -6.172   3.894  -7.392
   77    HA   GLU  73           HA       GLU  73  -9.047   3.826  -6.918
   78   1HB   GLU  73          2HB       GLU  73  -7.768   4.889  -9.205
   79   2HB   GLU  73          3HB       GLU  73  -8.599   3.423  -9.679
   80   1HG   GLU  73          2HG       GLU  73 -10.682   4.265  -8.959
   81   2HG   GLU  73          3HG       GLU  73  -9.911   5.597  -8.098
   82    HA   PRO  74           HA       PRO  74  -7.461  -0.406  -6.221
   83   1HB   PRO  74          2HB       PRO  74 -10.266  -1.085  -6.142
   84   2HB   PRO  74          3HB       PRO  74  -9.100  -1.047  -4.820
   85   1HG   PRO  74          2HG       PRO  74 -11.063   0.984  -5.636
   86   2HG   PRO  74          3HG       PRO  74 -10.256   0.757  -4.075
   87   1HD   PRO  74          2HD       PRO  74  -9.645   2.816  -5.721
   88   2HD   PRO  74          3HD       PRO  74  -8.419   2.019  -4.708
   89    H    SER  75           HN       SER  75  -6.937  -1.815  -7.726
   90    HA   SER  75           HA       SER  75  -8.730  -2.192 -10.030
   91   1HB   SER  75          2HB       SER  75  -6.763  -0.864 -10.704
   92   2HB   SER  75          3HB       SER  75  -5.701  -2.137 -10.101
   93    HG   SER  75           HG       SER  75  -7.675  -2.613 -12.072
   94    H    HIS  76           HN       HIS  76  -6.183  -3.583  -8.003
   95    HA   HIS  76           HA       HIS  76  -6.596  -6.244  -9.027
   96   1HB   HIS  76          2HB       HIS  76  -4.798  -4.970  -7.025
   97   2HB   HIS  76          3HB       HIS  76  -5.136  -6.686  -6.819
   98    HD1  HIS  76           1HD      HIS  76  -5.239  -7.153 -10.033
   99    HD2  HIS  76           2HD      HIS  76  -2.159  -5.479  -7.802
  100    HE1  HIS  76           1HE      HIS  76  -3.163  -7.463 -11.415
  101    HE2  HIS  76           2HE      HIS  76  -1.332  -6.348 -10.092
  102    H    ASP  77           HN       ASP  77  -7.238  -8.058  -7.669
  103    HA   ASP  77           HA       ASP  77  -9.685  -7.568  -6.338
  104   1HB   ASP  77          2HB       ASP  77  -7.976  -9.948  -6.859
  105   2HB   ASP  77          3HB       ASP  77  -9.170 -10.076  -5.570
  106    H    GLY  78           HN       GLY  78 -10.229  -7.575  -4.180
  107   1HA   GLY  78          1HA       GLY  78  -9.944  -7.294  -1.916
  108   2HA   GLY  78          2HA       GLY  78  -8.520  -8.308  -2.070
  109    H    ASP  79           HN       ASP  79  -9.160  -5.140  -3.537
  110    HA   ASP  79           HA       ASP  79  -6.777  -4.141  -2.132
  111   1HB   ASP  79          2HB       ASP  79  -7.970  -3.335  -4.783
  112   2HB   ASP  79          3HB       ASP  79  -6.679  -2.442  -3.985
  113    H    LEU  80           HN       LEU  80  -6.767  -1.953  -1.433
  114    HA   LEU  80           HA       LEU  80  -9.446  -0.953  -0.739
  115   1HB   LEU  80          2HB       LEU  80  -8.477  -1.375   1.307
  116   2HB   LEU  80          3HB       LEU  80  -6.858  -1.052   0.732
  117    HG   LEU  80           HG       LEU  80  -7.447   1.387   0.708
  118   1HD1  LEU  80          1HD1      LEU  80  -9.431   1.718   2.477
  119   2HD1  LEU  80          2HD1      LEU  80  -9.684   1.723   0.731
  120   3HD1  LEU  80          3HD1      LEU  80 -10.004   0.261   1.664
  121   1HD2  LEU  80          1HD2      LEU  80  -7.651  -0.020   3.365
  122   2HD2  LEU  80          2HD2      LEU  80  -6.153   0.357   2.514
  123   3HD2  LEU  80          3HD2      LEU  80  -7.181   1.660   3.110
  124    H    GLY  81           HN       GLY  81 -10.016   1.059  -1.371
  125   1HA   GLY  81          1HA       GLY  81  -8.048   2.539  -2.958
  126   2HA   GLY  81          2HA       GLY  81  -9.784   2.753  -3.037
  127    H    PHE  82           HN       PHE  82  -7.520   4.634  -2.616
  128    HA   PHE  82           HA       PHE  82  -8.719   6.073  -0.393
  129   1HB   PHE  82          2HB       PHE  82  -6.280   6.650   0.338
  130   2HB   PHE  82          3HB       PHE  82  -7.026   5.158   0.885
  131    HD1  PHE  82           1HD      PHE  82  -6.593   3.078  -0.694
  132    HD2  PHE  82           2HD      PHE  82  -4.154   6.559  -0.534
  133    HE1  PHE  82           1HE      PHE  82  -4.714   1.803  -1.634
  134    HE2  PHE  82           2HE      PHE  82  -2.262   5.278  -1.471
  135    HZ   PHE  82           HZ       PHE  82  -2.547   2.899  -2.018
  136    H    GLU  83           HN       GLU  83  -7.512   8.281  -0.194
  137    HA   GLU  83           HA       GLU  83  -7.260   9.321  -2.936
  138   1HB   GLU  83          2HB       GLU  83  -8.650  10.227  -0.546
  139   2HB   GLU  83          3HB       GLU  83  -7.625  11.479  -1.225
  140   1HG   GLU  83          2HG       GLU  83  -8.903  10.422  -3.426
  141   2HG   GLU  83          3HG       GLU  83 -10.142  10.411  -2.174
  142    H    LYS  84           HN       LYS  84  -5.954  11.504  -2.883
  143    HA   LYS  84           HA       LYS  84  -3.300  10.810  -2.068
  144   1HB   LYS  84          2HB       LYS  84  -3.367  12.029  -4.055
  145   2HB   LYS  84          3HB       LYS  84  -4.552  13.164  -3.434
  146   1HG   LYS  84          2HG       LYS  84  -2.603  13.840  -1.812
  147   2HG   LYS  84          3HG       LYS  84  -1.597  13.097  -3.053
  148   1HD   LYS  84          2HD       LYS  84  -3.366  14.679  -4.471
  149   2HD   LYS  84          3HD       LYS  84  -2.968  15.651  -3.055
  150   1HE   LYS  84          2HE       LYS  84  -0.627  14.377  -4.203
  151   2HE   LYS  84          3HE       LYS  84  -1.462  15.400  -5.371
  152   1HZ   LYS  84          1HZ       LYS  84  -0.489  16.224  -2.689
  153   2HZ   LYS  84          2HZ       LYS  84  -1.375  17.211  -3.738
  154   3HZ   LYS  84          3HZ       LYS  84   0.167  16.679  -4.181
  155    H    GLY  85           HN       GLY  85  -2.238  11.392  -0.270
  156   1HA   GLY  85          1HA       GLY  85  -1.760  12.523   1.715
  157   2HA   GLY  85          2HA       GLY  85  -3.123  13.595   1.392
  158    H    GLU  86           HN       GLU  86  -4.535  10.770   0.939
  159    HA   GLU  86           HA       GLU  86  -5.972  10.720   3.324
  160   1HB   GLU  86          2HB       GLU  86  -6.212   9.511   0.904
  161   2HB   GLU  86          3HB       GLU  86  -5.646   8.163   1.871
  162   1HG   GLU  86          2HG       GLU  86  -8.252   9.085   1.572
  163   2HG   GLU  86          3HG       GLU  86  -7.671   7.822   2.636
  164    H    GLN  87           HN       GLN  87  -6.045   8.821   4.828
  165    HA   GLN  87           HA       GLN  87  -3.321   7.855   5.369
  166   1HB   GLN  87          2HB       GLN  87  -5.309   8.412   7.546
  167   2HB   GLN  87          3HB       GLN  87  -3.578   8.161   7.686
  168   1HG   GLN  87          2HG       GLN  87  -3.091  10.293   7.248
  169   2HG   GLN  87          3HG       GLN  87  -4.338  10.430   6.013
  170   1HE2  GLN  87          1HE2      GLN  87  -3.580  10.780   9.372
  171   2HE2  GLN  87          2HE2      GLN  87  -5.028  11.602   9.830
  172    H    LEU  88           HN       LEU  88  -3.077   5.847   6.159
  173    HA   LEU  88           HA       LEU  88  -5.394   4.113   6.525
  174   1HB   LEU  88          2HB       LEU  88  -3.250   3.005   4.809
  175   2HB   LEU  88          3HB       LEU  88  -4.961   2.637   4.842
  176    HG   LEU  88           HG       LEU  88  -4.377   5.329   3.852
  177   1HD1  LEU  88          1HD1      LEU  88  -3.100   4.883   2.050
  178   2HD1  LEU  88          2HD1      LEU  88  -2.488   3.592   3.089
  179   3HD1  LEU  88          3HD1      LEU  88  -3.724   3.242   1.877
  180   1HD2  LEU  88          1HD2      LEU  88  -5.848   3.026   2.596
  181   2HD2  LEU  88          2HD2      LEU  88  -6.565   4.100   3.806
  182   3HD2  LEU  88          3HD2      LEU  88  -6.033   4.750   2.252
  183    H    ARG  89           HN       ARG  89  -5.066   2.786   8.153
  184    HA   ARG  89           HA       ARG  89  -2.497   2.716   9.426
  185   1HB   ARG  89          2HB       ARG  89  -4.347   2.852  10.892
  186   2HB   ARG  89          3HB       ARG  89  -5.196   1.547  10.073
  187   1HG   ARG  89          2HG       ARG  89  -3.621  -0.050  10.884
  188   2HG   ARG  89          3HG       ARG  89  -2.634   1.226  11.582
  189   1HD   ARG  89          2HD       ARG  89  -4.774   1.847  12.873
  190   2HD   ARG  89          3HD       ARG  89  -5.306   0.225  12.468
  191    HE   ARG  89           HE       ARG  89  -2.689   0.391  13.679
  192   1HH1  ARG  89          2HH1      ARG  89  -6.115   0.006  14.230
  193   2HH1  ARG  89          1HH1      ARG  89  -5.908  -0.759  15.770
  194   1HH2  ARG  89          2HH2      ARG  89  -2.417  -0.614  15.704
  195   2HH2  ARG  89          1HH2      ARG  89  -3.810  -1.111  16.607
  196    H    ILE  90           HN       ILE  90  -1.047   1.541   8.402
  197    HA   ILE  90           HA       ILE  90  -1.522  -0.642   6.742
  198    HB   ILE  90           HB       ILE  90   1.050  -0.097   8.226
  199   1HG1  ILE  90          2HG1      ILE  90   0.169   1.895   7.037
  200   2HG1  ILE  90          3HG1      ILE  90   1.688   1.327   6.380
  201   1HG2  ILE  90          1HG2      ILE  90   0.391  -2.204   6.600
  202   2HG2  ILE  90          2HG2      ILE  90   1.172  -1.080   5.489
  203   3HG2  ILE  90          3HG2      ILE  90   2.026  -1.632   6.931
  204   1HD1  ILE  90          1HD1      ILE  90  -0.763   1.784   5.046
  205   2HD1  ILE  90          2HD1      ILE  90   0.769   1.225   4.374
  206   3HD1  ILE  90          3HD1      ILE  90  -0.412   0.057   4.965
  207    H    LEU  91           HN       LEU  91  -2.381  -2.460   7.260
  208    HA   LEU  91           HA       LEU  91  -2.185  -3.626   9.888
  209   1HB   LEU  91          2HB       LEU  91  -3.271  -4.902   7.386
  210   2HB   LEU  91          3HB       LEU  91  -3.697  -5.265   9.047
  211    HG   LEU  91           HG       LEU  91  -4.349  -2.720   7.564
  212   1HD1  LEU  91          1HD1      LEU  91  -5.818  -5.231   7.969
  213   2HD1  LEU  91          2HD1      LEU  91  -6.732  -3.742   8.228
  214   3HD1  LEU  91          3HD1      LEU  91  -5.933  -4.028   6.684
  215   1HD2  LEU  91          1HD2      LEU  91  -4.728  -1.768   9.528
  216   2HD2  LEU  91          2HD2      LEU  91  -5.883  -3.039   9.928
  217   3HD2  LEU  91          3HD2      LEU  91  -4.181  -3.229  10.350
  218    H    GLU  92           HN       GLU  92  -1.154  -4.381   6.612
  219    HA   GLU  92           HA       GLU  92   1.138  -5.825   7.678
  220   1HB   GLU  92          2HB       GLU  92  -1.081  -7.109   6.441
  221   2HB   GLU  92          3HB       GLU  92   0.296  -7.215   5.348
  222   1HG   GLU  92          2HG       GLU  92   1.097  -8.879   6.553
  223   2HG   GLU  92          3HG       GLU  92   1.275  -7.763   7.911
  224    H    GLN  93           HN       GLN  93   2.974  -5.492   6.548
  225    HA   GLN  93           HA       GLN  93   2.728  -3.968   4.060
  226   1HB   GLN  93          2HB       GLN  93   5.028  -3.011   4.926
  227   2HB   GLN  93          3HB       GLN  93   3.497  -2.306   5.414
  228   1HG   GLN  93          2HG       GLN  93   3.565  -3.805   7.399
  229   2HG   GLN  93          3HG       GLN  93   5.194  -4.213   6.914
  230   1HE2  GLN  93          1HE2      GLN  93   6.355  -3.329   8.536
  231   2HE2  GLN  93          2HE2      GLN  93   6.361  -1.646   8.926
  232    H    SER  94           HN       SER  94   2.994  -6.768   4.252
  233    HA   SER  94           HA       SER  94   5.766  -7.280   3.471
  234   1HB   SER  94          2HB       SER  94   4.270  -9.658   3.282
  235   2HB   SER  94          3HB       SER  94   5.409  -9.215   4.551
  236    HG   SER  94           HG       SER  94   2.970  -9.696   4.965
  237    H    GLY  95           HN       GLY  95   6.311  -7.294   1.397
  238   1HA   GLY  95          1HA       GLY  95   6.095  -7.918  -0.874
  239   2HA   GLY  95          2HA       GLY  95   4.384  -8.193  -0.605
  240    H    GLU  96           HN       GLU  96   5.466  -6.855  -2.784
  241    HA   GLU  96           HA       GLU  96   5.625  -4.118  -2.728
  242   1HB   GLU  96          2HB       GLU  96   6.060  -4.861  -4.817
  243   2HB   GLU  96          3HB       GLU  96   4.870  -6.153  -4.709
  244   1HG   GLU  96          2HG       GLU  96   3.111  -4.671  -5.154
  245   2HG   GLU  96          3HG       GLU  96   4.178  -3.272  -5.078
  246    H    TRP  97           HN       TRP  97   2.844  -6.053  -2.083
  247    HA   TRP  97           HA       TRP  97   1.144  -3.656  -2.222
  248   1HB   TRP  97          2HB       TRP  97   0.540  -6.574  -2.601
  249   2HB   TRP  97          3HB       TRP  97  -0.733  -5.439  -2.165
  250    HD1  TRP  97           1HD      TRP  97   1.645  -6.305  -5.041
  251    HE1  TRP  97           1HE      TRP  97   0.809  -5.146  -7.181
  252    HE3  TRP  97           3HE      TRP  97  -2.113  -3.495  -3.025
  253    HZ2  TRP  97           2HZ      TRP  97  -1.180  -3.278  -7.914
  254    HZ3  TRP  97           3HZ      TRP  97  -3.431  -2.046  -4.504
  255    HH2  TRP  97           2HH      TRP  97  -2.970  -1.937  -6.900
  256    H    TRP  98           HN       TRP  98   0.963  -2.750  -0.280
  257    HA   TRP  98           HA       TRP  98   1.128  -4.384   2.123
  258   1HB   TRP  98          2HB       TRP  98   1.134  -1.408   1.672
  259   2HB   TRP  98          3HB       TRP  98   1.054  -2.126   3.273
  260    HD1  TRP  98           1HD      TRP  98   3.226  -4.286   1.296
  261    HE1  TRP  98           1HE      TRP  98   5.707  -3.762   1.749
  262    HE3  TRP  98           3HE      TRP  98   2.665   0.184   3.659
  263    HZ2  TRP  98           2HZ      TRP  98   7.227  -1.690   2.946
  264    HZ3  TRP  98           3HZ      TRP  98   4.667   1.392   4.426
  265    HH2  TRP  98           2HH      TRP  98   6.905   0.468   4.080
  266    H    LYS  99           HN       LYS  99  -0.456  -4.714   3.558
  267    HA   LYS  99           HA       LYS  99  -3.175  -4.113   2.756
  268   1HB   LYS  99          2HB       LYS  99  -2.734  -6.338   3.614
  269   2HB   LYS  99          3HB       LYS  99  -2.013  -5.675   5.069
  270   1HG   LYS  99          2HG       LYS  99  -4.421  -6.609   5.153
  271   2HG   LYS  99          3HG       LYS  99  -4.046  -5.099   5.986
  272   1HD   LYS  99          2HD       LYS  99  -5.077  -3.804   4.385
  273   2HD   LYS  99          3HD       LYS  99  -5.054  -5.090   3.176
  274   1HE   LYS  99          2HE       LYS  99  -6.505  -5.956   5.492
  275   2HE   LYS  99          3HE       LYS  99  -7.133  -4.405   4.944
  276   1HZ   LYS  99          1HZ       LYS  99  -7.396  -6.992   3.758
  277   2HZ   LYS  99          2HZ       LYS  99  -6.825  -5.847   2.650
  278   3HZ   LYS  99          3HZ       LYS  99  -8.282  -5.580   3.467
  279    H    ALA 100           HN       ALA 100  -3.999  -2.169   3.292
  280    HA   ALA 100           HA       ALA 100  -3.194  -1.026   5.889
  281   1HB   ALA 100          1HB       ALA 100  -4.203   0.767   3.746
  282   2HB   ALA 100          2HB       ALA 100  -3.019   1.069   5.021
  283   3HB   ALA 100          3HB       ALA 100  -2.561   0.132   3.597
  284    H    GLN 101           HN       GLN 101  -4.722  -0.142   7.197
  285    HA   GLN 101           HA       GLN 101  -7.504  -0.614   6.373
  286   1HB   GLN 101          2HB       GLN 101  -6.999  -1.921   8.319
  287   2HB   GLN 101          3HB       GLN 101  -6.257  -0.554   9.128
  288   1HG   GLN 101          2HG       GLN 101  -8.531   0.522   8.960
  289   2HG   GLN 101          3HG       GLN 101  -9.156  -1.058   8.554
  290   1HE2  GLN 101          1HE2      GLN 101  -7.546   0.843  11.015
  291   2HE2  GLN 101          2HE2      GLN 101  -7.959  -0.174  12.348
  292    H    SER 102           HN       SER 102  -8.367   1.198   5.685
  293    HA   SER 102           HA       SER 102  -7.408   3.744   5.961
  294   1HB   SER 102          2HB       SER 102  -9.823   2.464   5.046
  295   2HB   SER 102          3HB       SER 102 -10.184   3.975   5.839
  296    HG   SER 102           HG       SER 102  -9.393   3.726   3.414
  297    H    LEU 103           HN       LEU 103  -8.535   5.578   7.133
  298    HA   LEU 103           HA       LEU 103  -9.259   4.699   9.849
  299   1HB   LEU 103          2HB       LEU 103  -7.362   6.849   8.997
  300   2HB   LEU 103          3HB       LEU 103  -8.081   6.822  10.594
  301    HG   LEU 103           HG       LEU 103  -7.163   4.262  10.380
  302   1HD1  LEU 103          1HD1      LEU 103  -4.780   4.584   9.577
  303   2HD1  LEU 103          2HD1      LEU 103  -6.045   4.480   8.351
  304   3HD1  LEU 103          3HD1      LEU 103  -5.368   6.048   8.789
  305   1HD2  LEU 103          1HD2      LEU 103  -6.836   6.109  12.177
  306   2HD2  LEU 103          2HD2      LEU 103  -5.672   4.785  12.047
  307   3HD2  LEU 103          3HD2      LEU 103  -5.293   6.369  11.363
  308    H    THR 104           HN       THR 104  -9.906   6.819   7.221
  309    HA   THR 104           HA       THR 104 -11.717   8.499   8.720
  310    HB   THR 104           HB       THR 104 -11.623   8.306   5.725
  311    HG1  THR 104           1HG      THR 104  -9.503   8.518   6.079
  312   1HG2  THR 104          1HG2      THR 104 -12.143  10.463   7.711
  313   2HG2  THR 104          2HG2      THR 104 -13.187   9.861   6.421
  314   3HG2  THR 104          3HG2      THR 104 -11.755  10.814   6.026
  315    H    THR 105           HN       THR 105 -11.766   5.889   6.428
  316    HA   THR 105           HA       THR 105 -14.661   5.480   6.756
  317    HB   THR 105           HB       THR 105 -14.684   4.663   4.631
  318    HG1  THR 105           1HG      THR 105 -11.947   3.996   4.780
  319   1HG2  THR 105          1HG2      THR 105 -13.864   6.907   4.330
  320   2HG2  THR 105          2HG2      THR 105 -13.154   5.835   3.122
  321   3HG2  THR 105          3HG2      THR 105 -12.206   6.339   4.522
  322    H    GLY 106           HN       GLY 106 -11.525   4.098   6.869
  323   1HA   GLY 106          1HA       GLY 106 -10.625   2.443   8.099
  324   2HA   GLY 106          2HA       GLY 106 -12.201   2.070   8.738
  325    H    GLN 107           HN       GLN 107 -12.485   2.153   5.438
  326    HA   GLN 107           HA       GLN 107 -12.997  -0.505   5.102
  327   1HB   GLN 107          2HB       GLN 107 -12.322   1.732   3.310
  328   2HB   GLN 107          3HB       GLN 107 -12.365   0.115   2.631
  329   1HG   GLN 107          2HG       GLN 107 -14.543   0.459   2.389
  330   2HG   GLN 107          3HG       GLN 107 -14.623   0.184   4.128
  331   1HE2  GLN 107          1HE2      GLN 107 -14.012   2.778   1.788
  332   2HE2  GLN 107          2HE2      GLN 107 -14.853   4.005   2.668
  333    H    GLU 108           HN       GLU 108 -11.808  -2.231   5.134
  334    HA   GLU 108           HA       GLU 108  -8.915  -1.996   5.097
  335   1HB   GLU 108          2HB       GLU 108 -10.625  -4.437   5.540
  336   2HB   GLU 108          3HB       GLU 108  -8.905  -4.311   5.829
  337   1HG   GLU 108          2HG       GLU 108  -9.220  -3.475   7.837
  338   2HG   GLU 108          3HG       GLU 108 -10.335  -2.253   7.238
  339    H    GLY 109           HN       GLY 109  -7.532  -2.950   3.654
  340   1HA   GLY 109          1HA       GLY 109  -8.154  -4.798   1.675
  341   2HA   GLY 109          2HA       GLY 109  -8.443  -3.211   0.981
  342    H    PHE 110           HN       PHE 110  -6.630  -4.524  -0.318
  343    HA   PHE 110           HA       PHE 110  -3.983  -4.135   0.759
  344   1HB   PHE 110          2HB       PHE 110  -5.201  -5.479  -1.579
  345   2HB   PHE 110          3HB       PHE 110  -3.578  -4.860  -1.805
  346    HD1  PHE 110           1HD      PHE 110  -2.196  -6.721  -1.829
  347    HD2  PHE 110           2HD      PHE 110  -5.163  -6.362   1.202
  348    HE1  PHE 110           1HE      PHE 110  -1.288  -8.714  -0.710
  349    HE2  PHE 110           2HE      PHE 110  -4.258  -8.355   2.328
  350    HZ   PHE 110           HZ       PHE 110  -2.318  -9.533   1.371
  351    H    ILE 111           HN       ILE 111  -2.371  -2.810  -0.279
  352    HA   ILE 111           HA       ILE 111  -3.321  -0.819  -2.181
  353    HB   ILE 111           HB       ILE 111  -2.595   1.085  -0.843
  354   1HG1  ILE 111          2HG1      ILE 111  -2.398  -0.605   1.613
  355   2HG1  ILE 111          3HG1      ILE 111  -1.028  -0.557   0.514
  356   1HG2  ILE 111          1HG2      ILE 111  -4.475  -0.472   0.894
  357   2HG2  ILE 111          2HG2      ILE 111  -4.478   1.250   0.509
  358   3HG2  ILE 111          3HG2      ILE 111  -4.946   0.073  -0.717
  359   1HD1  ILE 111          1HD1      ILE 111  -2.118   1.552   2.269
  360   2HD1  ILE 111          2HD1      ILE 111  -0.446   1.131   1.892
  361   3HD1  ILE 111          3HD1      ILE 111  -1.410   2.045   0.731
  362    HA   PRO 112           HA       PRO 112   0.669  -1.160  -3.969
  363   1HB   PRO 112          2HB       PRO 112   0.924   1.589  -4.567
  364   2HB   PRO 112          3HB       PRO 112   0.291   0.333  -5.632
  365   1HG   PRO 112          2HG       PRO 112  -1.167   2.302  -3.981
  366   2HG   PRO 112          3HG       PRO 112  -1.645   1.517  -5.481
  367   1HD   PRO 112          2HD       PRO 112  -2.684   0.854  -3.081
  368   2HD   PRO 112          3HD       PRO 112  -2.504  -0.305  -4.406
  369    H    PHE 113           HN       PHE 113   2.255  -1.537  -2.498
  370    HA   PHE 113           HA       PHE 113   2.787  -0.202  -0.174
  371   1HB   PHE 113          2HB       PHE 113   4.809  -1.368  -0.047
  372   2HB   PHE 113          3HB       PHE 113   3.804  -2.385  -1.073
  373    HD1  PHE 113           1HD      PHE 113   6.986  -1.758  -0.691
  374    HD2  PHE 113           2HD      PHE 113   4.034  -1.064  -3.677
  375    HE1  PHE 113           1HE      PHE 113   8.742  -1.713  -2.412
  376    HE2  PHE 113           2HE      PHE 113   5.786  -1.018  -5.403
  377    HZ   PHE 113           HZ       PHE 113   8.143  -1.343  -4.772
  378    H    ASN 114           HN       ASN 114   3.615   0.830  -3.384
  379    HA   ASN 114           HA       ASN 114   5.349   2.933  -2.338
  380   1HB   ASN 114          2HB       ASN 114   5.349   1.412  -4.704
  381   2HB   ASN 114          3HB       ASN 114   5.101   3.092  -5.145
  382   1HD2  ASN 114          1HD2      ASN 114   7.085   3.419  -6.044
  383   2HD2  ASN 114          2HD2      ASN 114   8.554   3.413  -5.133
  384    H    PHE 115           HN       PHE 115   2.463   2.967  -1.909
  385    HA   PHE 115           HA       PHE 115   1.804   5.434  -3.386
  386   1HB   PHE 115          2HB       PHE 115   0.397   2.996  -3.302
  387   2HB   PHE 115          3HB       PHE 115  -0.531   4.129  -2.337
  388    HD1  PHE 115           1HD      PHE 115   1.457   4.513  -5.473
  389    HD2  PHE 115           2HD      PHE 115  -2.305   4.883  -3.531
  390    HE1  PHE 115           1HE      PHE 115   0.499   5.489  -7.518
  391    HE2  PHE 115           2HE      PHE 115  -3.268   5.856  -5.558
  392    HZ   PHE 115           HZ       PHE 115  -1.870   6.166  -7.565
  393    H    VAL 116           HN       VAL 116   3.005   4.800  -0.562
  394    HA   VAL 116           HA       VAL 116   1.420   6.836   0.757
  395    HB   VAL 116           HB       VAL 116   1.133   5.468   2.822
  396   1HG1  VAL 116          1HG1      VAL 116  -0.922   4.620   2.153
  397   2HG1  VAL 116          2HG1      VAL 116  -0.594   5.876   0.958
  398   3HG1  VAL 116          3HG1      VAL 116  -0.329   4.181   0.551
  399   1HG2  VAL 116          1HG2      VAL 116   2.392   3.594   2.855
  400   2HG2  VAL 116          2HG2      VAL 116   1.019   2.889   1.999
  401   3HG2  VAL 116          3HG2      VAL 116   2.421   3.463   1.096
  402    H    ALA 117           HN       ALA 117   2.358   7.796   2.526
  403    HA   ALA 117           HA       ALA 117   5.068   6.998   3.284
  404   1HB   ALA 117          1HB       ALA 117   4.313   9.455   1.843
  405   2HB   ALA 117          2HB       ALA 117   5.361   9.691   3.242
  406   3HB   ALA 117          3HB       ALA 117   5.865   8.623   1.932
  407    H    LYS 118           HN       LYS 118   5.518   7.392   5.426
  408    HA   LYS 118           HA       LYS 118   3.631   7.435   7.335
  409   1HB   LYS 118          2HB       LYS 118   6.336   8.770   7.486
  410   2HB   LYS 118          3HB       LYS 118   5.328   8.416   8.882
  411   1HG   LYS 118          2HG       LYS 118   6.676   6.480   7.028
  412   2HG   LYS 118          3HG       LYS 118   6.914   6.684   8.765
  413   1HD   LYS 118          2HD       LYS 118   4.622   5.902   9.157
  414   2HD   LYS 118          3HD       LYS 118   4.409   5.675   7.421
  415   1HE   LYS 118          2HE       LYS 118   6.326   4.217   9.234
  416   2HE   LYS 118          3HE       LYS 118   4.915   3.549   8.416
  417   1HZ   LYS 118          1HZ       LYS 118   6.612   2.897   7.042
  418   2HZ   LYS 118          2HZ       LYS 118   7.527   4.296   7.297
  419   3HZ   LYS 118          3HZ       LYS 118   6.160   4.350   6.302
  420    H    ALA 119           HN       ALA 119   2.379   8.834   8.464
  421    HA   ALA 119           HA       ALA 119   1.714  11.327   7.259
  422   1HB   ALA 119          1HB       ALA 119  -0.130  10.434   8.295
  423   2HB   ALA 119          2HB       ALA 119   0.794   9.852   9.686
  424   3HB   ALA 119          3HB       ALA 119   0.407  11.565   9.536
  425    H    ASN 120           HN       ASN 120   4.287  11.706   7.604
  426    HA   ASN 120           HA       ASN 120   4.412  13.732   9.710
  427   1HB   ASN 120          2HB       ASN 120   6.046  11.283   9.561
  428   2HB   ASN 120          3HB       ASN 120   6.964  12.766   9.804
  429   1HD2  ASN 120          1HD2      ASN 120   7.398  13.064  11.854
  430   2HD2  ASN 120          2HD2      ASN 120   6.340  12.746  13.182
  Start of MODEL   25
    1    H    ASN  64           HN       ASN  64   1.237   2.881  12.893
    2    HA   ASN  64           HA       ASN  64   3.419   2.193  11.201
    3   1HB   ASN  64          2HB       ASN  64   1.345   0.107  11.787
    4   2HB   ASN  64          3HB       ASN  64   2.020   0.217  10.169
    5   1HD2  ASN  64          1HD2      ASN  64   2.271  -1.983  11.924
    6   2HD2  ASN  64          2HD2      ASN  64   3.952  -2.185  12.272
    7    H    LEU  65           HN       LEU  65   1.245   4.189  11.649
    8    HA   LEU  65           HA       LEU  65  -0.479   3.867   9.376
    9   1HB   LEU  65          2HB       LEU  65  -1.481   4.931  11.188
   10   2HB   LEU  65          3HB       LEU  65  -0.158   6.045  11.409
   11    HG   LEU  65           HG       LEU  65  -0.768   7.132   9.310
   12   1HD1  LEU  65          1HD1      LEU  65  -2.338   4.778   8.999
   13   2HD1  LEU  65          2HD1      LEU  65  -3.377   6.200   8.891
   14   3HD1  LEU  65          3HD1      LEU  65  -1.982   6.043   7.819
   15   1HD2  LEU  65          1HD2      LEU  65  -1.670   8.043  11.355
   16   2HD2  LEU  65          2HD2      LEU  65  -2.890   8.144  10.084
   17   3HD2  LEU  65          3HD2      LEU  65  -3.000   6.885  11.316
   18    H    VAL  66           HN       VAL  66  -0.492   4.926   7.555
   19    HA   VAL  66           HA       VAL  66   1.838   6.592   6.873
   20    HB   VAL  66           HB       VAL  66   1.454   5.651   4.543
   21   1HG1  VAL  66          1HG1      VAL  66   2.841   3.638   5.051
   22   2HG1  VAL  66          2HG1      VAL  66   3.444   5.138   5.758
   23   3HG1  VAL  66          3HG1      VAL  66   2.581   3.973   6.763
   24   1HG2  VAL  66          1HG2      VAL  66  -0.008   3.590   6.167
   25   2HG2  VAL  66          2HG2      VAL  66  -0.656   4.570   4.853
   26   3HG2  VAL  66          3HG2      VAL  66   0.555   3.333   4.516
   27    H    ILE  67           HN       ILE  67   1.327   7.527   4.526
   28    HA   ILE  67           HA       ILE  67  -1.398   8.470   4.337
   29    HB   ILE  67           HB       ILE  67   0.708  10.120   5.419
   30   1HG1  ILE  67          2HG1      ILE  67  -2.233  10.386   4.889
   31   2HG1  ILE  67          3HG1      ILE  67  -1.447   9.973   6.383
   32   1HG2  ILE  67          1HG2      ILE  67  -0.599  11.131   2.892
   33   2HG2  ILE  67          2HG2      ILE  67   0.248  12.147   4.057
   34   3HG2  ILE  67          3HG2      ILE  67   1.128  10.901   3.172
   35   1HD1  ILE  67          1HD1      ILE  67  -1.463  12.096   6.990
   36   2HD1  ILE  67          2HD1      ILE  67  -0.523  12.528   5.560
   37   3HD1  ILE  67          3HD1      ILE  67  -2.286  12.498   5.481
   38    H    ALA  68           HN       ALA  68  -2.039   8.402   2.338
   39    HA   ALA  68           HA       ALA  68  -0.421   7.575   0.221
   40   1HB   ALA  68          1HB       ALA  68  -2.717   8.964  -0.782
   41   2HB   ALA  68          2HB       ALA  68  -2.381   7.235  -0.750
   42   3HB   ALA  68          3HB       ALA  68  -3.155   8.007   0.634
   43    H    LEU  69           HN       LEU  69   0.202   8.618  -1.708
   44    HA   LEU  69           HA       LEU  69   0.629  11.523  -1.440
   45   1HB   LEU  69          2HB       LEU  69   2.436   9.401  -2.586
   46   2HB   LEU  69          3HB       LEU  69   2.706  11.119  -2.811
   47    HG   LEU  69           HG       LEU  69   2.669   9.694  -0.147
   48   1HD1  LEU  69          1HD1      LEU  69   4.872  10.523  -1.992
   49   2HD1  LEU  69          2HD1      LEU  69   5.132  10.551  -0.250
   50   3HD1  LEU  69          3HD1      LEU  69   4.692   9.042  -1.048
   51   1HD2  LEU  69          1HD2      LEU  69   1.885  11.961   0.081
   52   2HD2  LEU  69          2HD2      LEU  69   3.532  11.854   0.704
   53   3HD2  LEU  69          3HD2      LEU  69   3.234  12.564  -0.882
   54    H    HIS  70           HN       HIS  70  -1.218   9.425  -3.012
   55    HA   HIS  70           HA       HIS  70  -1.673  11.152  -5.239
   56   1HB   HIS  70          2HB       HIS  70  -1.269   8.683  -6.569
   57   2HB   HIS  70          3HB       HIS  70  -0.382  10.184  -6.793
   58    HD1  HIS  70           1HD      HIS  70   1.913   9.198  -7.118
   59    HD2  HIS  70           2HD      HIS  70   0.093   7.869  -3.634
   60    HE1  HIS  70           1HE      HIS  70   3.706   7.983  -5.851
   61    HE2  HIS  70           2HE      HIS  70   2.625   7.347  -3.670
   62    H    SER  71           HN       SER  71  -3.681  10.808  -6.170
   63    HA   SER  71           HA       SER  71  -5.629   9.490  -4.672
   64   1HB   SER  71          2HB       SER  71  -6.149   9.780  -7.579
   65   2HB   SER  71          3HB       SER  71  -7.123  10.295  -6.203
   66    HG   SER  71           HG       SER  71  -5.647  12.024  -5.913
   67    H    TYR  72           HN       TYR  72  -6.140   7.409  -4.465
   68    HA   TYR  72           HA       TYR  72  -5.028   5.529  -6.435
   69   1HB   TYR  72          2HB       TYR  72  -4.398   5.269  -4.013
   70   2HB   TYR  72          3HB       TYR  72  -6.071   4.850  -3.691
   71    HD1  TYR  72           1HD      TYR  72  -3.776   3.871  -6.472
   72    HD2  TYR  72           2HD      TYR  72  -6.160   2.597  -3.189
   73    HE1  TYR  72           1HE      TYR  72  -3.329   1.527  -7.061
   74    HE2  TYR  72           2HE      TYR  72  -5.706   0.253  -3.762
   75    HH   TYR  72           HH       TYR  72  -4.575  -0.736  -6.661
   76    H    GLU  73           HN       GLU  73  -6.195   3.895  -7.334
   77    HA   GLU  73           HA       GLU  73  -9.069   3.800  -6.885
   78   1HB   GLU  73          2HB       GLU  73  -7.791   4.877  -9.166
   79   2HB   GLU  73          3HB       GLU  73  -8.603   3.400  -9.643
   80   1HG   GLU  73          2HG       GLU  73 -10.698   4.219  -8.931
   81   2HG   GLU  73          3HG       GLU  73  -9.945   5.564  -8.073
   82    HA   PRO  74           HA       PRO  74  -7.422  -0.406  -6.169
   83   1HB   PRO  74          2HB       PRO  74 -10.220  -1.126  -6.122
   84   2HB   PRO  74          3HB       PRO  74  -9.066  -1.078  -4.789
   85   1HG   PRO  74          2HG       PRO  74 -11.049   0.930  -5.614
   86   2HG   PRO  74          3HG       PRO  74 -10.249   0.712  -4.049
   87   1HD   PRO  74          2HD       PRO  74  -9.654   2.782  -5.688
   88   2HD   PRO  74          3HD       PRO  74  -8.426   2.000  -4.667
   89    H    SER  75           HN       SER  75  -6.875  -1.832  -7.649
   90    HA   SER  75           HA       SER  75  -8.627  -2.240  -9.978
   91   1HB   SER  75          2HB       SER  75  -6.722  -0.883 -10.685
   92   2HB   SER  75          3HB       SER  75  -5.603  -2.057  -9.993
   93    HG   SER  75           HG       SER  75  -6.856  -2.079 -12.398
   94    H    HIS  76           HN       HIS  76  -6.068  -3.571  -7.922
   95    HA   HIS  76           HA       HIS  76  -6.406  -6.240  -8.950
   96   1HB   HIS  76          2HB       HIS  76  -4.662  -4.920  -6.934
   97   2HB   HIS  76          3HB       HIS  76  -4.962  -6.642  -6.723
   98    HD1  HIS  76           1HD      HIS  76  -2.864  -7.716  -7.506
   99    HD2  HIS  76           2HD      HIS  76  -4.186  -4.773 -10.125
  100    HE1  HIS  76           1HE      HIS  76  -1.326  -7.842  -9.491
  101    HE2  HIS  76           2HE      HIS  76  -2.095  -5.999 -11.028
  102    H    ASP  77           HN       ASP  77  -7.013  -8.070  -7.594
  103    HA   ASP  77           HA       ASP  77  -9.487  -7.638  -6.289
  104   1HB   ASP  77          2HB       ASP  77  -7.728  -9.973  -6.822
  105   2HB   ASP  77          3HB       ASP  77  -8.901 -10.140  -5.518
  106    H    GLY  78           HN       GLY  78 -10.039  -7.559  -4.154
  107   1HA   GLY  78          1HA       GLY  78  -9.788  -7.314  -1.881
  108   2HA   GLY  78          2HA       GLY  78  -8.339  -8.297  -2.019
  109    H    ASP  79           HN       ASP  79  -8.998  -5.159  -3.534
  110    HA   ASP  79           HA       ASP  79  -6.661  -4.105  -2.094
  111   1HB   ASP  79          2HB       ASP  79  -7.856  -3.326  -4.753
  112   2HB   ASP  79          3HB       ASP  79  -6.592  -2.401  -3.948
  113    H    LEU  80           HN       LEU  80  -6.700  -1.916  -1.397
  114    HA   LEU  80           HA       LEU  80  -9.401  -0.972  -0.714
  115   1HB   LEU  80          2HB       LEU  80  -8.439  -1.382   1.337
  116   2HB   LEU  80          3HB       LEU  80  -6.820  -1.030   0.772
  117    HG   LEU  80           HG       LEU  80  -7.447   1.398   0.752
  118   1HD1  LEU  80          1HD1      LEU  80  -9.992   0.232   1.701
  119   2HD1  LEU  80          2HD1      LEU  80  -9.445   1.706   2.502
  120   3HD1  LEU  80          3HD1      LEU  80  -9.693   1.690   0.755
  121   1HD2  LEU  80          1HD2      LEU  80  -7.643  -0.026   3.400
  122   2HD2  LEU  80          2HD2      LEU  80  -6.149   0.393   2.564
  123   3HD2  LEU  80          3HD2      LEU  80  -7.212   1.666   3.161
  124    H    GLY  81           HN       GLY  81 -10.006   1.033  -1.335
  125   1HA   GLY  81          1HA       GLY  81  -8.072   2.549  -2.928
  126   2HA   GLY  81          2HA       GLY  81  -9.812   2.742  -2.981
  127    H    PHE  82           HN       PHE  82  -7.609   4.681  -2.608
  128    HA   PHE  82           HA       PHE  82  -8.796   6.096  -0.374
  129   1HB   PHE  82          2HB       PHE  82  -6.374   6.665   0.401
  130   2HB   PHE  82          3HB       PHE  82  -7.119   5.160   0.920
  131    HD1  PHE  82           1HD      PHE  82  -6.624   3.084  -0.599
  132    HD2  PHE  82           2HD      PHE  82  -4.263   6.620  -0.520
  133    HE1  PHE  82           1HE      PHE  82  -4.723   1.835  -1.530
  134    HE2  PHE  82           2HE      PHE  82  -2.348   5.366  -1.447
  135    HZ   PHE  82           HZ       PHE  82  -2.584   2.971  -1.947
  136    H    GLU  83           HN       GLU  83  -7.526   8.295  -0.153
  137    HA   GLU  83           HA       GLU  83  -7.275   9.341  -2.892
  138   1HB   GLU  83          2HB       GLU  83  -8.636  10.261  -0.489
  139   2HB   GLU  83          3HB       GLU  83  -7.598  11.499  -1.175
  140   1HG   GLU  83          2HG       GLU  83  -8.913  10.463  -3.366
  141   2HG   GLU  83          3HG       GLU  83 -10.140  10.473  -2.102
  142    H    LYS  84           HN       LYS  84  -5.932  11.497  -2.845
  143    HA   LYS  84           HA       LYS  84  -3.287  10.765  -2.015
  144   1HB   LYS  84          2HB       LYS  84  -3.388  11.947  -4.044
  145   2HB   LYS  84          3HB       LYS  84  -4.467  13.164  -3.383
  146   1HG   LYS  84          2HG       LYS  84  -2.510  13.810  -1.867
  147   2HG   LYS  84          3HG       LYS  84  -1.519  12.832  -2.947
  148   1HD   LYS  84          2HD       LYS  84  -2.382  14.199  -4.846
  149   2HD   LYS  84          3HD       LYS  84  -3.159  15.252  -3.665
  150   1HE   LYS  84          2HE       LYS  84  -0.879  15.558  -2.624
  151   2HE   LYS  84          3HE       LYS  84  -0.217  14.744  -4.041
  152   1HZ   LYS  84          1HZ       LYS  84  -1.653  17.330  -3.932
  153   2HZ   LYS  84          2HZ       LYS  84  -1.413  16.494  -5.382
  154   3HZ   LYS  84          3HZ       LYS  84  -0.083  17.029  -4.486
  155    H    GLY  85           HN       GLY  85  -2.233  11.345  -0.213
  156   1HA   GLY  85          1HA       GLY  85  -1.745  12.522   1.749
  157   2HA   GLY  85          2HA       GLY  85  -3.105  13.594   1.407
  158    H    GLU  86           HN       GLU  86  -4.535  10.787   0.975
  159    HA   GLU  86           HA       GLU  86  -5.980  10.752   3.353
  160   1HB   GLU  86          2HB       GLU  86  -6.214   9.533   0.939
  161   2HB   GLU  86          3HB       GLU  86  -5.654   8.188   1.914
  162   1HG   GLU  86          2HG       GLU  86  -8.255   9.104   1.597
  163   2HG   GLU  86          3HG       GLU  86  -7.680   7.855   2.680
  164    H    GLN  87           HN       GLN  87  -6.064   8.867   4.871
  165    HA   GLN  87           HA       GLN  87  -3.346   7.890   5.423
  166   1HB   GLN  87          2HB       GLN  87  -5.348   8.460   7.586
  167   2HB   GLN  87          3HB       GLN  87  -3.622   8.189   7.742
  168   1HG   GLN  87          2HG       GLN  87  -3.097  10.312   7.273
  169   2HG   GLN  87          3HG       GLN  87  -4.373  10.472   6.072
  170   1HE2  GLN  87          1HE2      GLN  87  -4.277   9.794   9.555
  171   2HE2  GLN  87          2HE2      GLN  87  -5.410  11.020   9.999
  172    H    LEU  88           HN       LEU  88  -3.110   5.887   6.231
  173    HA   LEU  88           HA       LEU  88  -5.433   4.160   6.580
  174   1HB   LEU  88          2HB       LEU  88  -3.281   3.037   4.885
  175   2HB   LEU  88          3HB       LEU  88  -4.993   2.677   4.906
  176    HG   LEU  88           HG       LEU  88  -4.397   5.364   3.911
  177   1HD1  LEU  88          1HD1      LEU  88  -2.493   3.628   3.178
  178   2HD1  LEU  88          2HD1      LEU  88  -3.712   3.276   1.950
  179   3HD1  LEU  88          3HD1      LEU  88  -3.092   4.917   2.131
  180   1HD2  LEU  88          1HD2      LEU  88  -6.005   4.741   2.250
  181   2HD2  LEU  88          2HD2      LEU  88  -5.865   3.035   2.695
  182   3HD2  LEU  88          3HD2      LEU  88  -6.587   4.189   3.823
  183    H    ARG  89           HN       ARG  89  -5.123   2.850   8.219
  184    HA   ARG  89           HA       ARG  89  -2.567   2.769   9.516
  185   1HB   ARG  89          2HB       ARG  89  -4.424   2.936  10.963
  186   2HB   ARG  89          3HB       ARG  89  -5.291   1.650  10.136
  187   1HG   ARG  89          2HG       ARG  89  -3.726   0.027  10.964
  188   2HG   ARG  89          3HG       ARG  89  -2.777   1.299  11.719
  189   1HD   ARG  89          2HD       ARG  89  -4.918   1.906  12.953
  190   2HD   ARG  89          3HD       ARG  89  -5.517   0.336  12.447
  191    HE   ARG  89           HE       ARG  89  -2.952   0.322  13.784
  192   1HH1  ARG  89          2HH1      ARG  89  -6.416   0.035  14.136
  193   2HH1  ARG  89          1HH1      ARG  89  -6.317  -0.834  15.630
  194   1HH2  ARG  89          2HH2      ARG  89  -2.827  -0.821  15.752
  195   2HH2  ARG  89          1HH2      ARG  89  -4.282  -1.318  16.548
  196    H    ILE  90           HN       ILE  90  -1.117   1.573   8.504
  197    HA   ILE  90           HA       ILE  90  -1.603  -0.619   6.864
  198    HB   ILE  90           HB       ILE  90   0.968  -0.106   8.358
  199   1HG1  ILE  90          2HG1      ILE  90   0.167   1.910   7.186
  200   2HG1  ILE  90          3HG1      ILE  90   1.634   1.277   6.469
  201   1HG2  ILE  90          1HG2      ILE  90   0.284  -2.203   6.739
  202   2HG2  ILE  90          2HG2      ILE  90   1.066  -1.089   5.618
  203   3HG2  ILE  90          3HG2      ILE  90   1.926  -1.643   7.054
  204   1HD1  ILE  90          1HD1      ILE  90  -0.538   0.087   5.121
  205   2HD1  ILE  90          2HD1      ILE  90  -0.872   1.814   5.246
  206   3HD1  ILE  90          3HD1      ILE  90   0.628   1.258   4.503
  207    H    LEU  91           HN       LEU  91  -2.475  -2.434   7.382
  208    HA   LEU  91           HA       LEU  91  -2.302  -3.587  10.020
  209   1HB   LEU  91          2HB       LEU  91  -3.380  -4.885   7.525
  210   2HB   LEU  91          3HB       LEU  91  -3.829  -5.210   9.187
  211    HG   LEU  91           HG       LEU  91  -4.434  -2.680   7.662
  212   1HD1  LEU  91          1HD1      LEU  91  -5.919  -5.185   8.033
  213   2HD1  LEU  91          2HD1      LEU  91  -6.837  -3.700   8.293
  214   3HD1  LEU  91          3HD1      LEU  91  -6.017  -3.972   6.756
  215   1HD2  LEU  91          1HD2      LEU  91  -4.585  -1.788   9.707
  216   2HD2  LEU  91          2HD2      LEU  91  -6.068  -2.729   9.859
  217   3HD2  LEU  91          3HD2      LEU  91  -4.552  -3.364  10.497
  218    H    GLU  92           HN       GLU  92  -1.245  -4.320   6.759
  219    HA   GLU  92           HA       GLU  92   1.070  -5.742   7.795
  220   1HB   GLU  92          2HB       GLU  92  -1.165  -7.061   6.568
  221   2HB   GLU  92          3HB       GLU  92   0.247  -7.210   5.527
  222   1HG   GLU  92          2HG       GLU  92   1.002  -8.836   6.812
  223   2HG   GLU  92          3HG       GLU  92   1.131  -7.685   8.146
  224    H    GLN  93           HN       GLN  93   2.801  -5.894   6.202
  225    HA   GLN  93           HA       GLN  93   2.433  -4.206   3.860
  226   1HB   GLN  93          2HB       GLN  93   4.825  -3.299   4.625
  227   2HB   GLN  93          3HB       GLN  93   3.322  -2.513   5.067
  228   1HG   GLN  93          2HG       GLN  93   3.326  -3.793   7.154
  229   2HG   GLN  93          3HG       GLN  93   4.876  -4.455   6.691
  230   1HE2  GLN  93          1HE2      GLN  93   6.698  -3.078   6.603
  231   2HE2  GLN  93          2HE2      GLN  93   6.732  -1.588   7.477
  232    H    SER  94           HN       SER  94   2.718  -7.011   4.013
  233    HA   SER  94           HA       SER  94   5.451  -7.621   3.296
  234   1HB   SER  94          2HB       SER  94   4.812  -9.608   4.091
  235   2HB   SER  94          3HB       SER  94   3.122  -9.115   4.118
  236    HG   SER  94           HG       SER  94   2.955  -9.758   1.956
  237    H    GLY  95           HN       GLY  95   6.250  -7.768   1.291
  238   1HA   GLY  95          1HA       GLY  95   6.313  -7.859  -1.025
  239   2HA   GLY  95          2HA       GLY  95   4.605  -8.249  -1.004
  240    H    GLU  96           HN       GLU  96   5.623  -6.699  -2.933
  241    HA   GLU  96           HA       GLU  96   5.765  -3.982  -2.679
  242   1HB   GLU  96          2HB       GLU  96   6.159  -4.537  -4.825
  243   2HB   GLU  96          3HB       GLU  96   5.019  -5.876  -4.784
  244   1HG   GLU  96          2HG       GLU  96   3.200  -4.434  -5.087
  245   2HG   GLU  96          3HG       GLU  96   4.219  -3.006  -4.937
  246    H    TRP  97           HN       TRP  97   2.980  -5.955  -2.155
  247    HA   TRP  97           HA       TRP  97   1.276  -3.559  -2.146
  248   1HB   TRP  97          2HB       TRP  97   0.668  -6.472  -2.567
  249   2HB   TRP  97          3HB       TRP  97  -0.593  -5.333  -2.108
  250    HD1  TRP  97           1HD      TRP  97   1.766  -6.167  -5.011
  251    HE1  TRP  97           1HE      TRP  97   0.906  -4.994  -7.134
  252    HE3  TRP  97           3HE      TRP  97  -1.993  -3.395  -2.940
  253    HZ2  TRP  97           2HZ      TRP  97  -1.099  -3.134  -7.835
  254    HZ3  TRP  97           3HZ      TRP  97  -3.332  -1.942  -4.396
  255    HH2  TRP  97           2HH      TRP  97  -2.889  -1.812  -6.797
  256    H    TRP  98           HN       TRP  98   0.865  -2.728  -0.212
  257    HA   TRP  98           HA       TRP  98   1.149  -4.417   2.160
  258   1HB   TRP  98          2HB       TRP  98   1.118  -1.427   1.814
  259   2HB   TRP  98          3HB       TRP  98   1.136  -2.226   3.378
  260    HD1  TRP  98           1HD      TRP  98   3.238  -4.328   1.344
  261    HE1  TRP  98           1HE      TRP  98   5.730  -3.737   1.620
  262    HE3  TRP  98           3HE      TRP  98   2.713   0.211   3.564
  263    HZ2  TRP  98           2HZ      TRP  98   7.270  -1.584   2.646
  264    HZ3  TRP  98           3HZ      TRP  98   4.727   1.497   4.161
  265    HH2  TRP  98           2HH      TRP  98   6.963   0.610   3.713
  266    H    LYS  99           HN       LYS  99  -0.414  -4.635   3.694
  267    HA   LYS  99           HA       LYS  99  -3.139  -4.074   2.856
  268   1HB   LYS  99          2HB       LYS  99  -2.701  -6.296   3.720
  269   2HB   LYS  99          3HB       LYS  99  -1.987  -5.628   5.178
  270   1HG   LYS  99          2HG       LYS  99  -4.386  -6.562   5.269
  271   2HG   LYS  99          3HG       LYS  99  -4.027  -5.035   6.075
  272   1HD   LYS  99          2HD       LYS  99  -5.068  -3.779   4.455
  273   2HD   LYS  99          3HD       LYS  99  -5.008  -5.075   3.257
  274   1HE   LYS  99          2HE       LYS  99  -6.477  -5.965   5.546
  275   2HE   LYS  99          3HE       LYS  99  -7.116  -4.411   5.018
  276   1HZ   LYS  99          1HZ       LYS  99  -6.771  -5.828   2.707
  277   2HZ   LYS  99          2HZ       LYS  99  -8.240  -5.564   3.505
  278   3HZ   LYS  99          3HZ       LYS  99  -7.361  -6.980   3.798
  279    H    ALA 100           HN       ALA 100  -4.009  -2.158   3.403
  280    HA   ALA 100           HA       ALA 100  -3.224  -0.997   5.997
  281   1HB   ALA 100          1HB       ALA 100  -4.197   0.785   3.824
  282   2HB   ALA 100          2HB       ALA 100  -3.050   1.103   5.129
  283   3HB   ALA 100          3HB       ALA 100  -2.546   0.162   3.723
  284    H    GLN 101           HN       GLN 101  -4.775  -0.087   7.270
  285    HA   GLN 101           HA       GLN 101  -7.545  -0.573   6.410
  286   1HB   GLN 101          2HB       GLN 101  -7.067  -1.870   8.371
  287   2HB   GLN 101          3HB       GLN 101  -6.333  -0.500   9.183
  288   1HG   GLN 101          2HG       GLN 101  -8.604   0.578   8.985
  289   2HG   GLN 101          3HG       GLN 101  -9.226  -1.004   8.578
  290   1HE2  GLN 101          1HE2      GLN 101  -7.689   0.926  11.055
  291   2HE2  GLN 101          2HE2      GLN 101  -8.101  -0.095  12.385
  292    H    SER 102           HN       SER 102  -8.411   1.236   5.710
  293    HA   SER 102           HA       SER 102  -7.447   3.784   5.989
  294   1HB   SER 102          2HB       SER 102  -9.848   2.506   5.036
  295   2HB   SER 102          3HB       SER 102 -10.221   4.017   5.823
  296    HG   SER 102           HG       SER 102  -9.770   4.571   3.762
  297    H    LEU 103           HN       LEU 103  -8.582   5.624   7.140
  298    HA   LEU 103           HA       LEU 103  -9.341   4.755   9.851
  299   1HB   LEU 103          2HB       LEU 103  -7.443   6.904   9.002
  300   2HB   LEU 103          3HB       LEU 103  -8.184   6.896  10.587
  301    HG   LEU 103           HG       LEU 103  -7.259   4.340  10.437
  302   1HD1  LEU 103          1HD1      LEU 103  -6.141   4.537   8.393
  303   2HD1  LEU 103          2HD1      LEU 103  -5.430   6.088   8.836
  304   3HD1  LEU 103          3HD1      LEU 103  -4.885   4.610   9.629
  305   1HD2  LEU 103          1HD2      LEU 103  -6.941   6.220  12.193
  306   2HD2  LEU 103          2HD2      LEU 103  -5.765   4.905  12.093
  307   3HD2  LEU 103          3HD2      LEU 103  -5.398   6.478  11.377
  308    H    THR 104           HN       THR 104  -9.980   6.846   7.201
  309    HA   THR 104           HA       THR 104 -11.809   8.534   8.669
  310    HB   THR 104           HB       THR 104 -11.679   8.318   5.678
  311    HG1  THR 104           1HG      THR 104  -9.555   8.519   6.099
  312   1HG2  THR 104          1HG2      THR 104 -13.251   9.879   6.325
  313   2HG2  THR 104          2HG2      THR 104 -11.810  10.834   5.967
  314   3HG2  THR 104          3HG2      THR 104 -12.243  10.482   7.641
  315    H    THR 105           HN       THR 105 -11.829   5.925   6.374
  316    HA   THR 105           HA       THR 105 -14.725   5.507   6.672
  317    HB   THR 105           HB       THR 105 -14.717   4.679   4.548
  318    HG1  THR 105           1HG      THR 105 -12.747   3.794   3.589
  319   1HG2  THR 105          1HG2      THR 105 -13.194   5.878   3.059
  320   2HG2  THR 105          2HG2      THR 105 -12.252   6.377   4.465
  321   3HG2  THR 105          3HG2      THR 105 -13.914   6.937   4.272
  322    H    GLY 106           HN       GLY 106 -11.588   4.130   6.824
  323   1HA   GLY 106          1HA       GLY 106 -10.701   2.484   8.073
  324   2HA   GLY 106          2HA       GLY 106 -12.287   2.105   8.687
  325    H    GLN 107           HN       GLN 107 -12.535   2.176   5.389
  326    HA   GLN 107           HA       GLN 107 -13.025  -0.483   5.046
  327   1HB   GLN 107          2HB       GLN 107 -12.334   1.758   3.265
  328   2HB   GLN 107          3HB       GLN 107 -12.356   0.141   2.585
  329   1HG   GLN 107          2HG       GLN 107 -14.532   0.479   2.306
  330   2HG   GLN 107          3HG       GLN 107 -14.638   0.192   4.041
  331   1HE2  GLN 107          1HE2      GLN 107 -14.208   2.740   1.633
  332   2HE2  GLN 107          2HE2      GLN 107 -14.994   3.979   2.544
  333    H    GLU 108           HN       GLU 108 -11.833  -2.210   5.075
  334    HA   GLU 108           HA       GLU 108  -8.939  -1.963   5.086
  335   1HB   GLU 108          2HB       GLU 108 -10.694  -4.369   5.545
  336   2HB   GLU 108          3HB       GLU 108  -8.958  -4.327   5.755
  337   1HG   GLU 108          2HG       GLU 108  -9.151  -3.514   7.788
  338   2HG   GLU 108          3HG       GLU 108 -10.201  -2.212   7.240
  339    H    GLY 109           HN       GLY 109  -7.528  -2.990   3.700
  340   1HA   GLY 109          1HA       GLY 109  -8.101  -4.810   1.702
  341   2HA   GLY 109          2HA       GLY 109  -8.398  -3.229   0.999
  342    H    PHE 110           HN       PHE 110  -6.551  -4.505  -0.276
  343    HA   PHE 110           HA       PHE 110  -3.924  -4.086   0.846
  344   1HB   PHE 110          2HB       PHE 110  -5.087  -5.456  -1.504
  345   2HB   PHE 110          3HB       PHE 110  -3.478  -4.796  -1.722
  346    HD1  PHE 110           1HD      PHE 110  -5.043  -6.337   1.276
  347    HD2  PHE 110           2HD      PHE 110  -2.045  -6.617  -1.734
  348    HE1  PHE 110           1HE      PHE 110  -4.092  -8.305   2.409
  349    HE2  PHE 110           2HE      PHE 110  -1.091  -8.585  -0.607
  350    HZ   PHE 110           HZ       PHE 110  -2.115  -9.431   1.467
  351    H    ILE 111           HN       ILE 111  -2.305  -2.759  -0.215
  352    HA   ILE 111           HA       ILE 111  -3.283  -0.761  -2.095
  353    HB   ILE 111           HB       ILE 111  -2.553   1.137  -0.741
  354   1HG1  ILE 111          2HG1      ILE 111  -2.384  -0.547   1.713
  355   2HG1  ILE 111          3HG1      ILE 111  -1.014  -0.555   0.612
  356   1HG2  ILE 111          1HG2      ILE 111  -4.436  -0.432   0.983
  357   2HG2  ILE 111          2HG2      ILE 111  -4.448   1.289   0.594
  358   3HG2  ILE 111          3HG2      ILE 111  -4.907   0.106  -0.629
  359   1HD1  ILE 111          1HD1      ILE 111  -1.256   2.043   0.786
  360   2HD1  ILE 111          2HD1      ILE 111  -2.070   1.641   2.298
  361   3HD1  ILE 111          3HD1      ILE 111  -0.407   1.116   2.026
  362    HA   PRO 112           HA       PRO 112   0.713  -1.034  -3.874
  363   1HB   PRO 112          2HB       PRO 112   0.938   1.688  -4.530
  364   2HB   PRO 112          3HB       PRO 112   0.255   0.423  -5.553
  365   1HG   PRO 112          2HG       PRO 112  -1.124   2.417  -3.852
  366   2HG   PRO 112          3HG       PRO 112  -1.651   1.663  -5.355
  367   1HD   PRO 112          2HD       PRO 112  -2.646   0.969  -2.950
  368   2HD   PRO 112          3HD       PRO 112  -2.495  -0.175  -4.290
  369    H    PHE 113           HN       PHE 113   2.354  -1.338  -2.456
  370    HA   PHE 113           HA       PHE 113   2.842   0.113  -0.152
  371   1HB   PHE 113          2HB       PHE 113   4.801  -1.120   0.095
  372   2HB   PHE 113          3HB       PHE 113   3.805  -2.159  -0.917
  373    HD1  PHE 113           1HD      PHE 113   4.188  -0.837  -3.558
  374    HD2  PHE 113           2HD      PHE 113   6.966  -1.736  -0.463
  375    HE1  PHE 113           1HE      PHE 113   6.002  -0.923  -5.217
  376    HE2  PHE 113           2HE      PHE 113   8.784  -1.827  -2.117
  377    HZ   PHE 113           HZ       PHE 113   8.304  -1.419  -4.497
  378    H    ASN 114           HN       ASN 114   3.584   0.987  -3.400
  379    HA   ASN 114           HA       ASN 114   5.451   3.059  -2.499
  380   1HB   ASN 114          2HB       ASN 114   5.791   3.377  -5.003
  381   2HB   ASN 114          3HB       ASN 114   6.355   1.853  -4.328
  382   1HD2  ASN 114          1HD2      ASN 114   4.548   3.289  -6.729
  383   2HD2  ASN 114          2HD2      ASN 114   3.697   1.895  -7.293
  384    H    PHE 115           HN       PHE 115   2.580   3.192  -1.999
  385    HA   PHE 115           HA       PHE 115   1.911   5.576  -3.605
  386   1HB   PHE 115          2HB       PHE 115   0.434   3.202  -3.218
  387   2HB   PHE 115          3HB       PHE 115  -0.384   4.446  -2.290
  388    HD1  PHE 115           1HD      PHE 115   1.425   4.624  -5.544
  389    HD2  PHE 115           2HD      PHE 115  -2.252   5.043  -3.452
  390    HE1  PHE 115           1HE      PHE 115   0.357   5.471  -7.593
  391    HE2  PHE 115           2HE      PHE 115  -3.323   5.887  -5.484
  392    HZ   PHE 115           HZ       PHE 115  -2.023   6.105  -7.568
  393    H    VAL 116           HN       VAL 116   2.199   4.206  -0.413
  394    HA   VAL 116           HA       VAL 116   1.207   6.725   0.734
  395    HB   VAL 116           HB       VAL 116   0.908   5.428   2.843
  396   1HG1  VAL 116          1HG1      VAL 116  -1.091   5.767   1.801
  397   2HG1  VAL 116          2HG1      VAL 116  -0.596   4.925   0.332
  398   3HG1  VAL 116          3HG1      VAL 116  -1.030   4.004   1.772
  399   1HG2  VAL 116          1HG2      VAL 116   0.771   2.938   2.589
  400   2HG2  VAL 116          2HG2      VAL 116   1.584   3.111   1.036
  401   3HG2  VAL 116          3HG2      VAL 116   2.408   3.591   2.521
  402    H    ALA 117           HN       ALA 117   2.236   7.708   2.419
  403    HA   ALA 117           HA       ALA 117   4.933   6.810   3.128
  404   1HB   ALA 117          1HB       ALA 117   5.243   9.527   3.060
  405   2HB   ALA 117          2HB       ALA 117   5.775   8.417   1.796
  406   3HB   ALA 117          3HB       ALA 117   4.222   9.240   1.650
  407    H    LYS 118           HN       LYS 118   5.474   7.234   5.256
  408    HA   LYS 118           HA       LYS 118   3.641   7.312   7.219
  409   1HB   LYS 118          2HB       LYS 118   6.465   7.841   7.055
  410   2HB   LYS 118          3HB       LYS 118   5.733   8.889   8.258
  411   1HG   LYS 118          2HG       LYS 118   6.630   6.643   9.043
  412   2HG   LYS 118          3HG       LYS 118   5.000   7.089   9.553
  413   1HD   LYS 118          2HD       LYS 118   4.006   5.518   8.222
  414   2HD   LYS 118          3HD       LYS 118   5.309   5.544   7.034
  415   1HE   LYS 118          2HE       LYS 118   5.406   4.279   9.771
  416   2HE   LYS 118          3HE       LYS 118   5.291   3.427   8.232
  417   1HZ   LYS 118          1HZ       LYS 118   7.582   4.921   9.345
  418   2HZ   LYS 118          2HZ       LYS 118   7.463   4.627   7.683
  419   3HZ   LYS 118          3HZ       LYS 118   7.532   3.331   8.767
  420    H    ALA 119           HN       ALA 119   2.462   8.741   8.394
  421    HA   ALA 119           HA       ALA 119   1.766  11.219   7.166
  422   1HB   ALA 119          1HB       ALA 119  -0.058  10.386   8.273
  423   2HB   ALA 119          2HB       ALA 119   0.902   9.772   9.625
  424   3HB   ALA 119          3HB       ALA 119   0.551  11.495   9.501
  425    H    ASN 120           HN       ASN 120   4.404  11.486   7.498
  426    HA   ASN 120           HA       ASN 120   4.590  13.574   9.548
  427   1HB   ASN 120          2HB       ASN 120   5.690  11.269  10.161
  428   2HB   ASN 120          3HB       ASN 120   6.959  11.805   9.063
  429   1HD2  ASN 120          1HD2      ASN 120   6.437  11.520  12.139
  430   2HD2  ASN 120          2HD2      ASN 120   7.181  12.947  12.767