*HEADER    CELL CYCLE/GENE REGULATION              29-OCT-98   2NMB      
*TITLE     DNUMB PTB DOMAIN COMPLEXED WITH A PHOSPHOTYROSINE PEPTIDE,    
*TITLE    2 NMR, ENSEMBLE OF STRUCTURES.                                 
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: NUMB PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                    
*COMPND   4 FRAGMENT: PTB DOMAIN;                                        
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MOL_ID: 2;                                                   
*COMPND   7 MOLECULE: GPPY PEPTIDE;                                      
*COMPND   8 CHAIN: B;                                                    
*COMPND   9 ENGINEERED: YES;                                             
*COMPND  10 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                        
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                  
*SOURCE   4 GENE: NUMB;                                                  
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                          
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                          
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX4T2;                          
*SOURCE   9 MOL_ID: 2;                                                   
*SOURCE  10 SYNTHETIC: YES                                               
*KEYWDS    COMPLEX, SIGNAL TRANSDUCTION, PHOSPHOTYROSINE BINDING         
*KEYWDS   2 DOMAIN (PTB), ASYMETR IC CELL DIVISION                       
*EXPDTA    NMR, 14 STRUCTURES                                            
*AUTHOR    S.-C.LI,C.ZWAHLEN,S.J.F.VINCENT,C.J.MCGLADE,T.PAWSON,         
*AUTHOR   2 J.D.FORMAN-KAY                                               
*REVDAT   1   12-OCT-04 2NMB    0   

 ASSI {    8}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      3.200     2.000     2.000 peak     8 weight  0.10000E+01 volume  0.15292E+01 ppm1      8.468 ppm2      0.868
 OR {    8}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI {   18}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  119 and name HN  ))
      3.400     2.300     2.100 peak    18 weight  0.10000E+01 volume  0.10899E+01 ppm1      8.979 ppm2      9.124
 OR {   18}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  133 and name HN  ))
 ASSI {   34}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  174 and name HA  ))
      2.500     1.300     1.300 peak    34 weight  0.10000E+01 volume  0.66217E+01 ppm1      8.711 ppm2      5.506
 OR {   34}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
 ASSI {   47}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  177 and name HB1 ))
      3.400     2.300     2.100 peak    47 weight  0.10000E+01 volume  0.94510E+00 ppm1      9.698 ppm2      3.210
 OR {   47}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  180 and name HB2 ))
 OR {   47}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HD1 ))
 ASSI {   70}
   (( segid PTB  and resid   69 and name HE1 ))
   (( segid PTB  and resid  186 and name HA  ))
      3.100     1.900     1.900 peak    70 weight  0.10000E+01 volume  0.17602E+01 ppm1     10.227 ppm2      2.955
 OR {   70}
   (( segid PTB  and resid   69 and name HE1 ))
   (( segid PTB  and resid   72 and name HB1 ))
 ASSI {  100}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  132 and name HN  ))
      3.400     2.300     2.100 peak   100 weight  0.10000E+01 volume  0.10262E+01 ppm1      8.733 ppm2      8.861
 OR {  100}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  130 and name HN  ))
 OR {  100}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  139 and name HN  ))
 ASSI {  126}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid   95 and name HA  ))
      3.200     2.000     2.000 peak   126 weight  0.10000E+01 volume  0.16061E+01 ppm1     10.019 ppm2      4.293
 OR {  126}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid  165 and name HA  ))
 ASSI {  127}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid   96 and name HB2 ))
      3.300     2.200     2.200 peak   127 weight  0.10000E+01 volume  0.11724E+01 ppm1     10.021 ppm2      1.456
 OR {  127}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid  171 and name HG1 ))
 ASSI {  137}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  157 and name HB2 ))
      3.300     2.200     2.200 peak   137 weight  0.10000E+01 volume  0.13207E+01 ppm1      9.105 ppm2      2.847
 OR {  137}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   99 and name HG2 ))
 ASSI {  145}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.600     1.400     1.400 peak   145 weight  0.10000E+01 volume  0.46483E+01 ppm1      8.418 ppm2      0.905
 OR {  145}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 ASSI {  153}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      3.000     1.800     1.800 peak   153 weight  0.10000E+01 volume  0.20006E+01 ppm1      9.813 ppm2      0.867
 OR {  153}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
 OR {  153}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR {  153}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 ASSI {  162}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      3.000     1.800     1.800 peak   162 weight  0.10000E+01 volume  0.19685E+01 ppm1      8.413 ppm2      0.775
 OR {  162}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI {  168}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  129 and name HB1 ))
      3.300     2.200     2.200 peak   168 weight  0.10000E+01 volume  0.12737E+01 ppm1      9.819 ppm2      1.647
 OR {  168}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  130 and name HB  ))
 OR {  168}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  129 and name HB2 ))
 ASSI {  179}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      3.400     2.300     2.100 peak   179 weight  0.10000E+01 volume  0.97550E+00 ppm1      9.110 ppm2      0.815
 OR {  179}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 ASSI {  188}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.800     1.600     1.600 peak   188 weight  0.10000E+01 volume  0.29903E+01 ppm1      8.680 ppm2      0.583
 OR {  188}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI {  205}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  135 and name HN  ))
      3.500     2.500     2.000 peak   205 weight  0.10000E+01 volume  0.93060E+00 ppm1      9.124 ppm2      8.071
 OR {  205}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  136 and name HN  ))
 ASSI {  207}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  114 and name HN  ))
      3.100     1.900     1.900 peak   207 weight  0.10000E+01 volume  0.17684E+01 ppm1      8.656 ppm2      7.908
 OR {  207}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid   90 and name HN  ))
 ASSI {  222}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  163 and name HB  ))
      3.300     2.200     2.200 peak   222 weight  0.10000E+01 volume  0.13266E+01 ppm1      8.059 ppm2      1.679
 OR {  222}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
 ASSI {  227}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  148 and name HA  ))
      3.100     1.900     1.900 peak   227 weight  0.10000E+01 volume  0.16301E+01 ppm1      8.082 ppm2      4.427
 OR {  227}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  147 and name HA  ))
 ASSI {  277}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      3.400     2.300     2.100 peak   277 weight  0.10000E+01 volume  0.10796E+01 ppm1      8.813 ppm2      0.599
 OR {  277}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI {  296}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      3.300     2.200     2.200 peak   296 weight  0.10000E+01 volume  0.11289E+01 ppm1      9.677 ppm2      0.596
 OR {  296}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI {  302}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   86 and name HB2 ))
      3.300     2.200     2.200 peak   302 weight  0.10000E+01 volume  0.11144E+01 ppm1      9.662 ppm2      1.852
 OR {  302}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid  121 and name HB1 ))
 ASSI {  309}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  128 and name HN  ))
      3.100     1.900     1.900 peak   309 weight  0.10000E+01 volume  0.17858E+01 ppm1      8.807 ppm2      8.548
 OR {  309}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HN  ))
 ASSI {  317}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.300     2.200     2.200 peak   317 weight  0.10000E+01 volume  0.12470E+01 ppm1      8.743 ppm2      1.666
 OR {  317}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  129 and name HG1 ))
 OR {  317}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  129 and name HG2 ))
 OR {  317}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  144 and name HG11))
 ASSI {  322}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      3.400     2.300     2.100 peak   322 weight  0.10000E+01 volume  0.97390E+00 ppm1      8.720 ppm2      0.806
 OR {  322}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
 OR {  322}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 ASSI {  335}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      3.400     2.300     2.100 peak   335 weight  0.10000E+01 volume  0.93900E+00 ppm1      8.804 ppm2      1.375
 OR {  335}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
 ASSI {  336}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   83 and name HN  ))
      3.300     2.200     2.200 peak   336 weight  0.10000E+01 volume  0.12078E+01 ppm1      8.009 ppm2      8.570
 OR {  336}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   80 and name HN  ))
 ASSI {  346}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      3.000     1.800     1.800 peak   346 weight  0.10000E+01 volume  0.21617E+01 ppm1      8.825 ppm2      0.555
 OR {  346}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 ASSI {  354}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   80 and name HB  ))
      3.400     2.300     2.100 peak   354 weight  0.10000E+01 volume  0.10335E+01 ppm1      7.441 ppm2      4.332
 OR {  354}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI {  372}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      3.300     2.200     2.200 peak   372 weight  0.10000E+01 volume  0.13072E+01 ppm1      9.062 ppm2      0.619
 OR {  372}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI {  374}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
      3.300     2.200     2.200 peak   374 weight  0.10000E+01 volume  0.12014E+01 ppm1      9.056 ppm2      0.117
 OR {  374}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 ASSI {  378}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  177 and name HB1 ))
      3.400     2.300     2.100 peak   378 weight  0.10000E+01 volume  0.94140E+00 ppm1      8.820 ppm2      3.155
 OR {  378}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  176 and name HA2 ))
 ASSI {  390}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   66 and name HD1 ))
      2.800     1.600     1.600 peak   390 weight  0.10000E+01 volume  0.30213E+01 ppm1      8.131 ppm2      3.597
 OR {  390}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   66 and name HD2 ))
 OR {  390}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid  125 and name HA1 ))
 ASSI {  400}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      3.300     2.200     2.200 peak   400 weight  0.10000E+01 volume  0.11267E+01 ppm1      7.434 ppm2      1.532
 OR {  400}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid  128 and name HG  ))
 ASSI {  411}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   83 and name HN  ))
      3.500     2.500     2.000 peak   411 weight  0.10000E+01 volume  0.90090E+00 ppm1      8.318 ppm2      8.565
 OR {  411}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  129 and name HN  ))
 ASSI {  415}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  122 and name HB1 ))
      2.800     1.600     1.600 peak   415 weight  0.10000E+01 volume  0.30982E+01 ppm1      8.318 ppm2      3.002
 OR {  415}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   82 and name HB1 ))
 OR {  415}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  122 and name HB2 ))
 ASSI {  419}
   (( segid PTB  and resid  210 and name HN  ))
   (( segid PTB  and resid  210 and name HB1 )
     OR 
    ( segid PTB  and resid  210 and name HB3 )
     OR 
    ( segid PTB  and resid  210 and name HB2 ))
      3.000     1.800     1.800 peak   419 weight  0.10000E+01 volume  0.19977E+01 ppm1      8.206 ppm2      1.419
 OR {  419}
   (( segid PTB  and resid  210 and name HN  ))
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
 ASSI {  420}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      3.400     2.300     2.100 peak   420 weight  0.10000E+01 volume  0.98860E+00 ppm1      8.084 ppm2      1.026
 OR {  420}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 ASSI {  456}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   71 and name HA  ))
      3.300     2.200     2.200 peak   456 weight  0.10000E+01 volume  0.13017E+01 ppm1      7.867 ppm2      4.216
 OR {  456}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   81 and name HA  ))
 ASSI {  458}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   74 and name HG1 ))
      3.200     2.000     2.000 peak   458 weight  0.10000E+01 volume  0.15917E+01 ppm1      7.865 ppm2      2.278
 OR {  458}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   73 and name HB1 ))
 OR {  458}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   73 and name HB2 ))
 ASSI {  483}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  101 and name HA  ))
      3.400     2.300     2.100 peak   483 weight  0.10000E+01 volume  0.96700E+00 ppm1      7.614 ppm2      3.608
 OR {  483}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  161 and name HB1 ))
 ASSI {  486}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  103 and name HB1 ))
      3.200     2.000     2.000 peak   486 weight  0.10000E+01 volume  0.13336E+01 ppm1      7.619 ppm2      1.935
 OR {  486}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  103 and name HB2 ))
 OR {  486}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  101 and name HB  ))
 OR {  486}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  107 and name HB1 ))
 ASSI {  495}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
      3.100     1.900     1.900 peak   495 weight  0.10000E+01 volume  0.16871E+01 ppm1      8.554 ppm2      4.471
 OR {  495}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  133 and name HA  ))
 ASSI {  497}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  131 and name HB  ))
      3.200     2.000     2.000 peak   497 weight  0.10000E+01 volume  0.14801E+01 ppm1      8.555 ppm2      1.896
 OR {  497}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  121 and name HB1 ))
 OR {  497}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  121 and name HB2 ))
 ASSI {  510}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  189 and name HA  ))
      3.300     2.200     2.200 peak   510 weight  0.10000E+01 volume  0.13064E+01 ppm1      7.357 ppm2      4.044
 OR {  510}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
 ASSI {  515}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  187 and name HB1 ))
      3.100     1.900     1.900 peak   515 weight  0.10000E+01 volume  0.17094E+01 ppm1      7.355 ppm2      0.668
 OR {  515}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  187 and name HB2 ))
 OR {  515}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
 OR {  515}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 ASSI {  527}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  140 and name HB  ))
      2.700     1.500     1.500 peak   527 weight  0.10000E+01 volume  0.36415E+01 ppm1      8.864 ppm2      1.586
 OR {  527}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  128 and name HB2 ))
 ASSI {  572}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.700     1.500     1.500 peak   572 weight  0.10000E+01 volume  0.40846E+01 ppm1      7.694 ppm2      1.435
 OR {  572}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI {  582}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid GPPY and resid 4    and name HN  ))
      3.400     2.300     2.100 peak   582 weight  0.10000E+01 volume  0.94650E+00 ppm1      8.745 ppm2      7.697
 OR {  582}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  161 and name HN  ))
 ASSI {  587}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  123 and name HN  ))
      3.400     2.300     2.100 peak   587 weight  0.10000E+01 volume  0.97190E+00 ppm1      8.605 ppm2      8.306
 OR {  587}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  124 and name HN  ))
 ASSI {  592}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid   91 and name HB  ))
      2.200     2.200     2.300 peak   592 weight  0.10000E+01 volume  0.12346E+02 ppm1      8.600 ppm2      1.990
 OR {  592}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  107 and name HB1 ))
 OR {  592}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  107 and name HB2 ))
 ASSI {  593}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.800     1.600     1.600 peak   593 weight  0.10000E+01 volume  0.34736E+01 ppm1      8.567 ppm2      0.775
 OR {  593}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  109 and name HG  ))
 OR {  593}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
 ASSI {  595}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  105 and name HA  ))
      3.400     2.300     2.100 peak   595 weight  0.10000E+01 volume  0.93300E+00 ppm1      8.561 ppm2      4.006
 OR {  595}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  112 and name HB1 ))
 OR {  595}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  110 and name HA  ))
 OR {  595}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  127 and name HA1 ))
 ASSI {  603}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.300     2.200     2.200 peak   603 weight  0.10000E+01 volume  0.11625E+01 ppm1      8.542 ppm2      1.288
 OR {  603}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  107 and name HG2 ))
 ASSI {  616}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid   87 and name HB1 ))
      3.200     2.000     2.000 peak   616 weight  0.10000E+01 volume  0.13695E+01 ppm1      8.031 ppm2      2.875
 OR {  616}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid   89 and name HA2 ))
 ASSI {  662}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid   80 and name HN  ))
      3.500     2.500     2.000 peak   662 weight  0.10000E+01 volume  0.90000E+00 ppm1      8.310 ppm2      8.556
 OR {  662}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  128 and name HN  ))
 OR {  662}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  129 and name HN  ))
 ASSI {  670}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      3.200     2.000     2.000 peak   670 weight  0.10000E+01 volume  0.13570E+01 ppm1      8.034 ppm2      0.606
 OR {  670}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI {  673}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  175 and name HN  ))
      3.300     2.200     2.200 peak   673 weight  0.10000E+01 volume  0.12754E+01 ppm1      9.720 ppm2      8.728
 OR {  673}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  166 and name HN  ))
 ASSI {  678}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  163 and name HB  ))
      3.200     2.000     2.000 peak   678 weight  0.10000E+01 volume  0.14482E+01 ppm1      9.713 ppm2      1.678
 OR {  678}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  173 and name HB1 ))
 ASSI {  679}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      3.400     2.300     2.100 peak   679 weight  0.10000E+01 volume  0.10034E+01 ppm1      9.719 ppm2      1.361
 OR {  679}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  165 and name HB1 ))
 ASSI {  681}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.900     1.700     1.700 peak   681 weight  0.10000E+01 volume  0.24778E+01 ppm1      9.713 ppm2      0.628
 OR {  681}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 ASSI {  699}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
      2.900     1.700     1.700 peak   699 weight  0.10000E+01 volume  0.25104E+01 ppm1      7.470 ppm2      7.023
 OR {  699}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
 OR {  699}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
 ASSI {  704}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  191 and name HB  ))
      3.200     2.000     2.000 peak   704 weight  0.10000E+01 volume  0.14883E+01 ppm1      7.469 ppm2      2.128
 OR {  704}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  197 and name HB  ))
 OR {  704}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
 OR {  704}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
 ASSI {  706}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      3.000     1.800     1.800 peak   706 weight  0.10000E+01 volume  0.21565E+01 ppm1      7.468 ppm2      1.242
 OR {  706}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI {  707}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.900     1.700     1.700 peak   707 weight  0.10000E+01 volume  0.27159E+01 ppm1      7.469 ppm2      0.984
 OR {  707}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 ASSI {  716}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  149 and name HA  ))
      3.400     2.300     2.100 peak   716 weight  0.10000E+01 volume  0.96050E+00 ppm1      9.553 ppm2      5.508
 OR {  716}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
 ASSI {  744}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
      3.300     2.200     2.200 peak   744 weight  0.10000E+01 volume  0.12891E+01 ppm1      7.473 ppm2      0.567
 OR {  744}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
 OR {  744}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
 ASSI {  745}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   73 and name HA  ))
      3.300     2.200     2.200 peak   745 weight  0.10000E+01 volume  0.12531E+01 ppm1      8.572 ppm2      3.876
 OR {  745}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   77 and name HA  ))
 ASSI {  763}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  152 and name HA  ))
      2.600     1.400     1.400 peak   763 weight  0.10000E+01 volume  0.48518E+01 ppm1      8.221 ppm2      5.182
 OR {  763}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  160 and name HA  ))
 ASSI {  791}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.000     1.800     1.800 peak   791 weight  0.10000E+01 volume  0.21854E+01 ppm1      9.136 ppm2      0.607
 OR {  791}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 OR {  791}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 ASSI {  801}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HG2 ))
      3.000     1.800     1.800 peak   801 weight  0.10000E+01 volume  0.23496E+01 ppm1      8.262 ppm2      2.509
 OR {  801}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HG1 ))
 OR {  801}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  103 and name HG1 ))
 ASSI {  835}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  183 and name HB2 ))
      3.000     1.800     1.800 peak   835 weight  0.10000E+01 volume  0.20958E+01 ppm1      8.656 ppm2      4.046
 OR {  835}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
 OR {  835}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  188 and name HB1 ))
 ASSI {  860}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      3.300     2.200     2.200 peak   860 weight  0.10000E+01 volume  0.12248E+01 ppm1      7.656 ppm2      0.850
 OR {  860}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 OR {  860}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 OR {  860}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 ASSI {  861}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  181 and name HG2 ))
      3.500     2.500     2.000 peak   861 weight  0.10000E+01 volume  0.91700E+00 ppm1      8.657 ppm2      1.419
 OR {  861}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR {  861}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 ASSI {  864}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  197 and name HA  ))
      2.800     1.600     1.600 peak   864 weight  0.10000E+01 volume  0.29984E+01 ppm1      8.275 ppm2      3.607
 OR {  864}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  197 and name HA  ))
 OR {  864}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
 OR {  864}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  125 and name HA1 ))
 ASSI {  865}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  197 and name HB  ))
      2.900     1.700     1.700 peak   865 weight  0.10000E+01 volume  0.29295E+01 ppm1      8.271 ppm2      2.152
 OR {  865}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  197 and name HB  ))
 ASSI {  870}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  125 and name HA2 ))
      3.300     2.200     2.200 peak   870 weight  0.10000E+01 volume  0.11848E+01 ppm1      8.218 ppm2      3.972
 OR {  870}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
 ASSI {  880}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  205 and name HG1 ))
      3.100     1.900     1.900 peak   880 weight  0.10000E+01 volume  0.18838E+01 ppm1      8.072 ppm2      1.727
 OR {  880}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  204 and name HG2 ))
 OR {  880}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  205 and name HG2 ))
 OR {  880}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  204 and name HG1 ))
 ASSI {  889}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      3.300     2.200     2.200 peak   889 weight  0.10000E+01 volume  0.11746E+01 ppm1      7.910 ppm2      1.497
 OR {  889}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 ASSI {  897}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.400     2.300     2.100 peak   897 weight  0.10000E+01 volume  0.10357E+01 ppm1      7.649 ppm2      1.552
 OR {  897}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  106 and name HG  ))
 OR {  897}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  106 and name HB2 ))
 OR {  897}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 ASSI {  908}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  125 and name HA2 ))
      3.400     2.300     2.100 peak   908 weight  0.10000E+01 volume  0.11042E+01 ppm1      8.279 ppm2      3.960
 OR {  908}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  145 and name HA  ))
 ASSI {  937}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  100 and name HB2 ))
      3.200     2.000     2.000 peak   937 weight  0.10000E+01 volume  0.14403E+01 ppm1      6.863 ppm2      2.398
 OR {  937}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  104 and name HG1 ))
 ASSI {  939}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      3.500     2.500     2.000 peak   939 weight  0.10000E+01 volume  0.92530E+00 ppm1      9.179 ppm2      0.984
 OR {  939}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  165 and name HG1 ))
 ASSI {  942}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  166 and name HN  ))
      3.400     2.300     2.100 peak   942 weight  0.10000E+01 volume  0.10242E+01 ppm1      9.173 ppm2      8.706
 OR {  942}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  172 and name HN  ))
 ASSI {  944}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  165 and name HA  ))
      3.200     2.000     2.000 peak   944 weight  0.10000E+01 volume  0.13695E+01 ppm1      9.168 ppm2      4.304
 OR {  944}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  171 and name HA  ))
 OR {  944}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  169 and name HB  ))
 ASSI {  946}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  165 and name HB1 ))
      3.200     2.000     2.000 peak   946 weight  0.10000E+01 volume  0.13639E+01 ppm1      9.173 ppm2      1.386
 OR {  946}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  165 and name HB2 ))
 OR {  946}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
 ASSI {  964}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  203 and name HA  ))
      2.500     1.300     1.300 peak   964 weight  0.10000E+01 volume  0.70908E+01 ppm1      7.961 ppm2      4.239
 OR {  964}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HA  ))
 ASSI {  990}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.800     1.600     1.600 peak   990 weight  0.10000E+01 volume  0.31429E+01 ppm1      8.907 ppm2      0.583
 OR {  990}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
 OR {  990}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI {  992}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   85 and name HB  ))
      3.400     2.300     2.100 peak   992 weight  0.10000E+01 volume  0.97130E+00 ppm1      8.894 ppm2      2.368
 OR {  992}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  160 and name HB2 ))
 ASSI {  996}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  162 and name HB1 ))
      3.000     1.800     1.800 peak   996 weight  0.10000E+01 volume  0.21299E+01 ppm1      8.569 ppm2      2.696
 OR {  996}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid GPPY and resid 4    and name HA2 ))
 OR {  996}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid   99 and name HG1 ))
 ASSI { 1008}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      3.400     2.300     2.100 peak  1008 weight  0.10000E+01 volume  0.10262E+01 ppm1      8.453 ppm2      0.822
 OR { 1008}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 OR { 1008}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1012}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   71 and name HA  ))
      2.800     1.600     1.600 peak  1012 weight  0.10000E+01 volume  0.33409E+01 ppm1      8.225 ppm2      4.206
 OR { 1012}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  196 and name HA  ))
 OR { 1012}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 1012}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  100 and name HA  ))
 ASSI { 1016}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   72 and name HB1 ))
      2.700     1.500     1.500 peak  1016 weight  0.10000E+01 volume  0.42047E+01 ppm1      8.223 ppm2      2.994
 OR { 1016}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  102 and name HB2 ))
 ASSI { 1021}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
      3.500     2.500     2.000 peak  1021 weight  0.10000E+01 volume  0.90000E+00 ppm1      8.178 ppm2      4.165
 OR { 1021}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  100 and name HA  ))
 OR { 1021}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   70 and name HA  ))
 ASSI { 1032}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
      3.300     2.200     2.200 peak  1032 weight  0.10000E+01 volume  0.12386E+01 ppm1      7.754 ppm2      3.968
 OR { 1032}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  188 and name HB1 ))
 OR { 1032}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
 OR { 1032}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  125 and name HA2 ))
 ASSI { 1040}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.500     1.300     1.300 peak  1040 weight  0.10000E+01 volume  0.69097E+01 ppm1      7.737 ppm2      0.668
 OR { 1040}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 OR { 1040}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  187 and name HB1 ))
 ASSI { 1045}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  199 and name HA  ))
      2.900     1.700     1.700 peak  1045 weight  0.10000E+01 volume  0.27378E+01 ppm1      8.212 ppm2      4.097
 OR { 1045}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  198 and name HA  ))
 ASSI { 1064}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HD1 ))
      3.400     2.300     2.100 peak  1064 weight  0.10000E+01 volume  0.10443E+01 ppm1      8.072 ppm2      3.072
 OR { 1064}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HD2 ))
 OR { 1064}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid  193 and name HB1 ))
 ASSI { 1070}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      3.400     2.300     2.100 peak  1070 weight  0.10000E+01 volume  0.99210E+00 ppm1      7.468 ppm2      0.780
 OR { 1070}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  109 and name HG  ))
 OR { 1070}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI { 1075}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HG2 ))
      3.200     2.000     2.000 peak  1075 weight  0.10000E+01 volume  0.15512E+01 ppm1      7.437 ppm2      1.325
 OR { 1075}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 OR { 1075}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HG1 ))
 ASSI { 1096}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HN  ))
      2.500     1.300     1.300 peak  1096 weight  0.10000E+01 volume  0.72425E+01 ppm1      7.265 ppm2      8.825
 OR { 1096}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  130 and name HN  ))
 ASSI { 1109}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  201 and name HA  ))
      2.600     1.400     1.400 peak  1109 weight  0.10000E+01 volume  0.52977E+01 ppm1      8.070 ppm2      4.121
 OR { 1109}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  202 and name HA  ))
 OR { 1109}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  200 and name HA  ))
 ASSI { 1115}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HA  ))
      2.400     1.200     1.200 peak  1115 weight  0.10000E+01 volume  0.77188E+01 ppm1      7.548 ppm2      3.842
 OR { 1115}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 1119}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      3.100     1.900     1.900 peak  1119 weight  0.10000E+01 volume  0.16659E+01 ppm1      7.545 ppm2      1.077
 OR { 1119}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  109 and name HB1 ))
 ASSI { 1142}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  107 and name HB1 ))
      3.500     2.500     2.000 peak  1142 weight  0.10000E+01 volume  0.90000E+00 ppm1      8.517 ppm2      1.928
 OR { 1142}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  107 and name HB2 ))
 OR { 1142}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  103 and name HB1 ))
 OR { 1142}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  103 and name HB2 ))
 ASSI { 1172}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  180 and name HB2 ))
      3.200     2.000     2.000 peak  1172 weight  0.10000E+01 volume  0.14421E+01 ppm1      7.063 ppm2      3.216
 OR { 1172}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  158 and name HD1 ))
 ASSI { 1184}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      3.200     2.000     2.000 peak  1184 weight  0.10000E+01 volume  0.13745E+01 ppm1      8.837 ppm2      0.839
 OR { 1184}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
 OR { 1184}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1190}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  100 and name HB2 ))
      2.700     1.500     1.500 peak  1190 weight  0.10000E+01 volume  0.43430E+01 ppm1      8.815 ppm2      2.406
 OR { 1190}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  134 and name HG2 ))
 ASSI { 1203}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  106 and name HB2 ))
      3.400     2.300     2.100 peak  1203 weight  0.10000E+01 volume  0.10377E+01 ppm1      8.455 ppm2      1.535
 OR { 1203}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  106 and name HG  ))
 OR { 1203}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  114 and name HG1 ))
 OR { 1203}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI { 1227}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  161 and name HA  ))
      3.200     2.000     2.000 peak  1227 weight  0.10000E+01 volume  0.14744E+01 ppm1      9.162 ppm2      5.400
 OR { 1227}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  177 and name HA  ))
 ASSI { 1251}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      3.400     2.300     2.100 peak  1251 weight  0.10000E+01 volume  0.10001E+01 ppm1      7.718 ppm2      1.501
 OR { 1251}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   77 and name HG2 ))
 ASSI { 1258}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HD2 ))
      3.200     2.000     2.000 peak  1258 weight  0.10000E+01 volume  0.13915E+01 ppm1      7.346 ppm2      3.117
 OR { 1258}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HD2 ))
 OR { 1258}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HD1 ))
 OR { 1258}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HD1 ))
 ASSI { 1275}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HE  ))
      3.100     1.900     1.900 peak  1275 weight  0.10000E+01 volume  0.17692E+01 ppm1      7.308 ppm2      7.175
 OR { 1275}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HE  ))
 ASSI { 1299}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.600     1.400     1.400 peak  1299 weight  0.10000E+01 volume  0.53823E+01 ppm1      8.351 ppm2      0.778
 OR { 1299}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI { 1302}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid  172 and name HD1 ))
      3.400     2.300     2.100 peak  1302 weight  0.10000E+01 volume  0.10437E+01 ppm1      7.181 ppm2      6.873
 OR { 1302}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   97 and name HN  ))
 ASSI { 1360}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
      3.400     2.300     2.100 peak  1360 weight  0.10000E+01 volume  0.10277E+01 ppm1      8.062 ppm2      2.589
 OR { 1360}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  133 and name HB1 ))
 ASSI { 1378}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      3.200     2.000     2.000 peak  1378 weight  0.10000E+01 volume  0.13656E+01 ppm1      8.567 ppm2      0.896
 OR { 1378}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 OR { 1378}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 1388}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
      3.400     2.300     2.100 peak  1388 weight  0.10000E+01 volume  0.96350E+00 ppm1      8.243 ppm2      3.989
 OR { 1388}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  125 and name HA2 ))
 ASSI { 1393}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      3.300     2.200     2.200 peak  1393 weight  0.10000E+01 volume  0.11885E+01 ppm1      8.244 ppm2      0.585
 OR { 1393}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
 ASSI { 1395}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  133 and name HA  ))
      3.300     2.200     2.200 peak  1395 weight  0.10000E+01 volume  0.12094E+01 ppm1      8.064 ppm2      4.452
 OR { 1395}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
 ASSI { 1403}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.300     2.200     2.200 peak  1403 weight  0.10000E+01 volume  0.12118E+01 ppm1      8.574 ppm2      0.109
 OR { 1403}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 ASSI { 1450}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  160 and name CE1 ))
      3.800     2.900     1.700 peak  1450 weight  0.10000E+01 volume  0.98070E+00 ppm1      8.065 ppm2      6.991
 OR { 1450}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
 OR { 1450}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid   69 and name HD1 ))
 OR { 1450}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
 ASSI { 1458}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  205 and name HB1 ))
      3.000     1.800     1.800 peak  1458 weight  0.10000E+01 volume  0.20199E+01 ppm1      8.055 ppm2      1.907
 OR { 1458}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  205 and name HB2 ))
 OR { 1458}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  204 and name HB2 ))
 OR { 1458}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  204 and name HB1 ))
 ASSI { 1474}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  112 and name HB2 ))
      2.200     2.200     2.300 peak  1474 weight  0.10000E+01 volume  0.13242E+02 ppm1      7.310 ppm2      3.980
 OR { 1474}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  110 and name HA  ))
 ASSI { 1477}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  144 and name HG12))
      3.400     2.300     2.100 peak  1477 weight  0.10000E+01 volume  0.95950E+00 ppm1      7.939 ppm2      1.379
 OR { 1477}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
 ASSI { 1479}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.200     2.000     2.000 peak  1479 weight  0.10000E+01 volume  0.14327E+01 ppm1      7.920 ppm2      1.011
 OR { 1479}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 ASSI { 1489}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  198 and name HN  ))
      3.300     2.200     2.200 peak  1489 weight  0.10000E+01 volume  0.11593E+01 ppm1      7.883 ppm2      8.264
 OR { 1489}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  197 and name HN  ))
 OR { 1489}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  195 and name HN  ))
 ASSI { 1558}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  120 and name HB1 ))
      3.400     2.300     2.100 peak  1558 weight  0.10000E+01 volume  0.98180E+00 ppm1      9.083 ppm2      1.506
 OR { 1558}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid   86 and name HB1 ))
 OR { 1558}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  120 and name HB2 ))
 ASSI { 1564}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  158 and name HA  ))
      2.200     2.200     2.300 peak  1564 weight  0.10000E+01 volume  0.13511E+02 ppm1      7.292 ppm2      4.732
 OR { 1564}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  155 and name HA  ))
 ASSI { 1565}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  158 and name HD1 ))
      3.100     1.900     1.900 peak  1565 weight  0.10000E+01 volume  0.16980E+01 ppm1      7.292 ppm2      3.169
 OR { 1565}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HD1 ))
 OR { 1565}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HD2 ))
 ASSI { 1584}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  146 and name HA  ))
      2.900     1.700     1.700 peak  1584 weight  0.10000E+01 volume  0.26917E+01 ppm1      6.636 ppm2      4.433
 OR { 1584}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  143 and name HB  ))
 ASSI { 1603}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid  114 and name HA  ))
      2.800     1.600     1.600 peak  1603 weight  0.10000E+01 volume  0.35672E+01 ppm1      7.178 ppm2      4.261
 OR { 1603}
   (( segid PTB  and resid  113 and name HE  ))
   (( segid PTB  and resid  114 and name HA  ))
 OR { 1603}
   (( segid PTB  and resid  113 and name HE  ))
   (( segid PTB  and resid  113 and name HA  ))
 ASSI { 1604}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HD2 ))
      2.800     1.600     1.600 peak  1604 weight  0.10000E+01 volume  0.30450E+01 ppm1      7.176 ppm2      3.107
 OR { 1604}
   (( segid PTB  and resid  154 and name HE  ))
   (( segid PTB  and resid  154 and name HD1 ))
 OR { 1604}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HD1 ))
 ASSI { 1606}
   (( segid PTB  and resid  205 and name HE  ))
   (( segid PTB  and resid  205 and name HG2 ))
      3.300     2.200     2.200 peak  1606 weight  0.10000E+01 volume  0.12683E+01 ppm1      7.174 ppm2      1.758
 OR { 1606}
   (( segid PTB  and resid  205 and name HE  ))
   (( segid PTB  and resid  205 and name HG1 ))
 OR { 1606}
   (( segid PTB  and resid   68 and name HE21))
   (( segid PTB  and resid   68 and name HB1 ))
 ASSI { 1616}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  177 and name HN  ))
      3.300     2.200     2.200 peak  1616 weight  0.10000E+01 volume  0.11131E+01 ppm1      8.125 ppm2      9.153
 OR { 1616}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  163 and name HN  ))
 ASSI { 1618}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   76 and name HN  ))
      3.100     1.900     1.900 peak  1618 weight  0.10000E+01 volume  0.17406E+01 ppm1      8.024 ppm2      8.601
 OR { 1618}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   80 and name HN  ))
 ASSI { 1624}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
      3.300     2.200     2.200 peak  1624 weight  0.10000E+01 volume  0.11579E+01 ppm1      8.033 ppm2      2.095
 OR { 1624}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   74 and name HB1 ))
 OR { 1624}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   74 and name HB2 ))
 ASSI { 1627}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   77 and name HG2 ))
      3.000     1.800     1.800 peak  1627 weight  0.10000E+01 volume  0.20310E+01 ppm1      8.030 ppm2      1.534
 OR { 1627}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   77 and name HG1 ))
 OR { 1627}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
 ASSI { 1629}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      3.300     2.200     2.200 peak  1629 weight  0.10000E+01 volume  0.13116E+01 ppm1      8.027 ppm2      0.992
 OR { 1629}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1655}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  162 and name HE1 )
     OR 
    ( segid PTB  and resid  162 and name HE2 ))
      3.400     2.300     2.100 peak  1655 weight  0.10000E+01 volume  0.10963E+01 ppm1      8.127 ppm2      6.632
 OR { 1655}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
 OR { 1655}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  175 and name HD2 ))
 ASSI { 1664}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.300     2.200     2.200 peak  1664 weight  0.10000E+01 volume  0.12360E+01 ppm1      8.110 ppm2      1.327
 OR { 1664}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
 OR { 1664}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid   88 and name HB1 ))
 ASSI { 1665}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      3.400     2.300     2.100 peak  1665 weight  0.10000E+01 volume  0.93800E+00 ppm1      8.120 ppm2      0.832
 OR { 1665}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 OR { 1665}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 OR { 1665}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
 OR { 1665}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1665}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI { 1800}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   90 and name HB1 ))
      2.800     1.600     1.600 peak  1800 weight  0.10000E+01 volume  0.31751E+01 ppm1      7.909 ppm2      1.593
 OR { 1800}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid  114 and name HG2 ))
 OR { 1800}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid  114 and name HG1 ))
 ASSI { 1818}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  183 and name HB2 ))
      3.100     1.900     1.900 peak  1818 weight  0.10000E+01 volume  0.16171E+01 ppm1      9.419 ppm2      4.046
 OR { 1818}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  188 and name HB1 ))
 OR { 1818}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
 ASSI { 1829}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   95 and name HG2 ))
      2.800     1.600     1.600 peak  1829 weight  0.10000E+01 volume  0.31884E+01 ppm1      7.576 ppm2      2.195
 OR { 1829}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   95 and name HG1 ))
 OR { 1829}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   93 and name HB  ))
 ASSI { 1876}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
      3.300     2.200     2.200 peak  1876 weight  0.10000E+01 volume  0.11625E+01 ppm1      8.332 ppm2      3.995
 OR { 1876}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
 OR { 1876}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  188 and name HB1 ))
 ASSI { 1900}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  136 and name HB1 ))
      3.400     2.300     2.100 peak  1900 weight  0.10000E+01 volume  0.10090E+01 ppm1      8.388 ppm2      1.945
 OR { 1900}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  131 and name HB  ))
 ASSI { 1928}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  153 and name HB1 ))
      3.400     2.300     2.100 peak  1928 weight  0.10000E+01 volume  0.10640E+01 ppm1      8.481 ppm2      3.355
 OR { 1928}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  153 and name HB2 ))
 OR { 1928}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  156 and name HB2 ))
 ASSI { 1941}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      3.400     2.300     2.100 peak  1941 weight  0.10000E+01 volume  0.10706E+01 ppm1      8.471 ppm2      0.817
 OR { 1941}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 ASSI { 1955}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   90 and name HB1 ))
      3.100     1.900     1.900 peak  1955 weight  0.10000E+01 volume  0.17125E+01 ppm1      7.991 ppm2      1.582
 OR { 1955}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  114 and name HG1 ))
 OR { 1955}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  114 and name HG2 ))
 OR { 1955}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  178 and name HB2 ))
 ASSI { 1956}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
      3.200     2.000     2.000 peak  1956 weight  0.10000E+01 volume  0.14744E+01 ppm1      7.996 ppm2      0.842
 OR { 1956}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 OR { 1956}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 OR { 1956}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
 OR { 1956}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 1973}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      3.300     2.200     2.200 peak  1973 weight  0.10000E+01 volume  0.13275E+01 ppm1      9.140 ppm2      1.542
 OR { 1973}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  128 and name HG  ))
 ASSI { 2118}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   99 and name HB2 ))
      3.700     2.700     1.800 peak  2118 weight  0.10000E+01 volume  0.59680E+00 ppm1      3.165 ppm2      2.118
 OR { 2118}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   99 and name HB1 ))
 OR { 2118}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid  100 and name HB1 ))
 ASSI { 2143}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  105 and name HA  ))
      2.900     1.700     1.700 peak  2143 weight  0.10000E+01 volume  0.26619E+01 ppm1      8.523 ppm2      4.026
 OR { 2143}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI { 2154}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   93 and name HB  ))
      3.600     2.600     1.900 peak  2154 weight  0.10000E+01 volume  0.73990E+00 ppm1      8.272 ppm2      2.187
 OR { 2154}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  173 and name HG2 ))
 ASSI { 2160}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.600     2.600     1.900 peak  2160 weight  0.10000E+01 volume  0.69230E+00 ppm1      8.353 ppm2      1.683
 OR { 2160}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  129 and name HB1 ))
 OR { 2160}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   65 and name HB2 ))
 ASSI { 2161}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      3.600     2.600     1.900 peak  2161 weight  0.10000E+01 volume  0.73770E+00 ppm1      8.324 ppm2      1.511
 OR { 2161}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  128 and name HG  ))
 OR { 2161}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
 ASSI { 2163}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      3.500     2.500     2.000 peak  2163 weight  0.10000E+01 volume  0.81750E+00 ppm1      8.331 ppm2      0.259
 OR { 2163}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 ASSI { 2165}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   99 and name HG1 ))
      3.500     2.500     2.000 peak  2165 weight  0.10000E+01 volume  0.88110E+00 ppm1      9.113 ppm2      2.663
 OR { 2165}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  155 and name HB2 ))
 ASSI { 2168}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid   98 and name HN  ))
      3.600     2.600     1.900 peak  2168 weight  0.10000E+01 volume  0.70030E+00 ppm1      6.856 ppm2      3.201
 OR { 2168}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  102 and name HB1 ))
 ASSI { 2169}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid   98 and name HA2 ))
      3.500     2.500     2.000 peak  2169 weight  0.10000E+01 volume  0.82700E+00 ppm1      7.121 ppm2      4.281
 OR { 2169}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid GPPY and resid 5    and name HA  ))
 ASSI { 2180}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  103 and name HA  ))
      3.500     2.500     2.000 peak  2180 weight  0.10000E+01 volume  0.81250E+00 ppm1      7.617 ppm2      3.847
 OR { 2180}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 2181}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  106 and name HB2 ))
      3.500     2.500     2.000 peak  2181 weight  0.10000E+01 volume  0.78750E+00 ppm1      7.616 ppm2      1.530
 OR { 2181}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  106 and name HG  ))
 OR { 2181}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 ASSI { 2184}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      3.500     2.500     2.000 peak  2184 weight  0.10000E+01 volume  0.87870E+00 ppm1      8.522 ppm2      1.072
 OR { 2184}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  109 and name HB1 ))
 ASSI { 2186}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  108 and name HA  ))
      3.600     2.600     1.900 peak  2186 weight  0.10000E+01 volume  0.76540E+00 ppm1      7.546 ppm2      3.611
 OR { 2186}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  161 and name HB2 ))
 OR { 2186}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  161 and name HB1 ))
 ASSI { 2192}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HD2 ))
      3.700     2.700     1.800 peak  2192 weight  0.10000E+01 volume  0.58000E+00 ppm1      8.466 ppm2      3.086
 OR { 2192}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  176 and name HA2 ))
 ASSI { 2198}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      3.600     2.600     1.900 peak  2198 weight  0.10000E+01 volume  0.71820E+00 ppm1      7.523 ppm2      1.070
 OR { 2198}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  109 and name HB1 ))
 OR { 2198}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  109 and name HB2 ))
 ASSI { 2204}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  114 and name HG1 ))
      3.500     2.500     2.000 peak  2204 weight  0.10000E+01 volume  0.81330E+00 ppm1      7.307 ppm2      1.589
 OR { 2204}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  114 and name HG2 ))
 OR { 2204}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  107 and name HD2 ))
 ASSI { 2210}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid   88 and name HA  ))
      3.600     2.600     1.900 peak  2210 weight  0.10000E+01 volume  0.77390E+00 ppm1      8.632 ppm2      3.952
 OR { 2210}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  112 and name HB2 ))
 ASSI { 2215}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
      3.500     2.500     2.000 peak  2215 weight  0.10000E+01 volume  0.79320E+00 ppm1      8.990 ppm2      2.586
 OR { 2215}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  133 and name HB1 ))
 ASSI { 2219}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  133 and name HB1 ))
      3.800     2.900     1.700 peak  2219 weight  0.10000E+01 volume  0.50190E+00 ppm1      9.110 ppm2      2.597
 OR { 2219}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  133 and name HB2 ))
 OR { 2219}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
 OR { 2219}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  180 and name HB1 ))
 ASSI { 2220}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid   84 and name HA  ))
      3.600     2.600     1.900 peak  2220 weight  0.10000E+01 volume  0.69030E+00 ppm1      8.556 ppm2      4.938
 OR { 2220}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  118 and name HA  ))
 ASSI { 2221}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  130 and name HA  ))
      3.800     2.900     1.700 peak  2221 weight  0.10000E+01 volume  0.53750E+00 ppm1      9.067 ppm2      5.394
 OR { 2221}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   82 and name HA  ))
 ASSI { 2232}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  128 and name HB2 ))
      3.800     2.900     1.700 peak  2232 weight  0.10000E+01 volume  0.51120E+00 ppm1      8.308 ppm2      1.515
 OR { 2232}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  128 and name HG  ))
 OR { 2232}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  120 and name HB2 ))
 OR { 2232}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
 OR { 2232}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  120 and name HB1 ))
 ASSI { 2233}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.700     2.700     1.800 peak  2233 weight  0.10000E+01 volume  0.56480E+00 ppm1      8.316 ppm2      1.025
 OR { 2233}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
 ASSI { 2234}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  129 and name HB1 ))
      3.500     2.500     2.000 peak  2234 weight  0.10000E+01 volume  0.81350E+00 ppm1      8.334 ppm2      1.648
 OR { 2234}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  129 and name HG2 ))
 OR { 2234}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  129 and name HG1 ))
 OR { 2234}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  129 and name HB2 ))
 OR { 2234}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  130 and name HB  ))
 ASSI { 2241}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  125 and name HA1 ))
      3.600     2.600     1.900 peak  2241 weight  0.10000E+01 volume  0.68840E+00 ppm1      7.546 ppm2      3.602
 OR { 2241}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
 ASSI { 2243}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  124 and name HN  ))
      3.500     2.500     2.000 peak  2243 weight  0.10000E+01 volume  0.79760E+00 ppm1      8.555 ppm2      8.298
 OR { 2243}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  123 and name HN  ))
 ASSI { 2245}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      3.000     1.800     1.800 peak  2245 weight  0.10000E+01 volume  0.22152E+01 ppm1      8.535 ppm2      0.843
 OR { 2245}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 OR { 2245}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 OR { 2245}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 2247}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      3.800     2.900     1.700 peak  2247 weight  0.10000E+01 volume  0.53910E+00 ppm1      8.494 ppm2      0.595
 OR { 2247}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
 OR { 2247}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 2248}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      3.600     2.600     1.900 peak  2248 weight  0.10000E+01 volume  0.69480E+00 ppm1      8.538 ppm2      0.609
 OR { 2248}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
 OR { 2248}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 OR { 2248}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 OR { 2248}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  121 and name HG  ))
 ASSI { 2251}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  122 and name HB2 ))
      3.500     2.500     2.000 peak  2251 weight  0.10000E+01 volume  0.79800E+00 ppm1      8.871 ppm2      2.962
 OR { 2251}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  129 and name HD2 ))
 OR { 2251}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  129 and name HD1 ))
 ASSI { 2255}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  136 and name HN  ))
      3.700     2.700     1.800 peak  2255 weight  0.10000E+01 volume  0.61140E+00 ppm1      8.903 ppm2      8.067
 OR { 2255}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  135 and name HN  ))
 ASSI { 2273}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      3.600     2.600     1.900 peak  2273 weight  0.10000E+01 volume  0.77090E+00 ppm1      7.914 ppm2      1.745
 OR { 2273}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid  139 and name HB  ))
 ASSI { 2277}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  174 and name HN  ))
      3.700     2.700     1.800 peak  2277 weight  0.10000E+01 volume  0.61800E+00 ppm1      8.278 ppm2      9.163
 OR { 2277}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  173 and name HN  ))
 ASSI { 2278}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  101 and name HA  ))
      3.600     2.600     1.900 peak  2278 weight  0.10000E+01 volume  0.72100E+00 ppm1      8.456 ppm2      3.604
 OR { 2278}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  161 and name HB1 ))
 ASSI { 2283}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  136 and name HD2 ))
      3.500     2.500     2.000 peak  2283 weight  0.10000E+01 volume  0.89750E+00 ppm1      8.388 ppm2      1.680
 OR { 2283}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  138 and name HB2 ))
 ASSI { 2284}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  136 and name HD1 ))
      3.800     2.900     1.700 peak  2284 weight  0.10000E+01 volume  0.52560E+00 ppm1      8.390 ppm2      1.558
 OR { 2284}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  138 and name HB1 ))
 ASSI { 2285}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  129 and name HD2 ))
      3.700     2.700     1.800 peak  2285 weight  0.10000E+01 volume  0.57940E+00 ppm1      8.552 ppm2      3.008
 OR { 2285}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  122 and name HB2 ))
 OR { 2285}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  129 and name HD1 ))
 OR { 2285}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  122 and name HB1 ))
 OR { 2285}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
 ASSI { 2290}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.600     2.600     1.900 peak  2290 weight  0.10000E+01 volume  0.73910E+00 ppm1      8.823 ppm2      0.131
 OR { 2290}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 ASSI { 2294}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   81 and name HB1 ))
      3.500     2.500     2.000 peak  2294 weight  0.10000E+01 volume  0.82630E+00 ppm1      8.581 ppm2      3.051
 OR { 2294}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid  193 and name HB1 ))
 ASSI { 2295}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   78 and name HA  ))
      3.700     2.700     1.800 peak  2295 weight  0.10000E+01 volume  0.58880E+00 ppm1      8.081 ppm2      4.474
 OR { 2295}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
 ASSI { 2297}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid   99 and name HA  ))
      3.500     2.500     2.000 peak  2297 weight  0.10000E+01 volume  0.83810E+00 ppm1      8.453 ppm2      4.062
 OR { 2297}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI { 2302}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  186 and name HA  ))
      3.500     2.500     2.000 peak  2302 weight  0.10000E+01 volume  0.83530E+00 ppm1      8.070 ppm2      2.973
 OR { 2302}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
 OR { 2302}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  186 and name HD2 ))
 ASSI { 2305}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
      3.600     2.600     1.900 peak  2305 weight  0.10000E+01 volume  0.67830E+00 ppm1      7.541 ppm2      2.095
 OR { 2305}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  191 and name HB  ))
 ASSI { 2308}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      3.500     2.500     2.000 peak  2308 weight  0.10000E+01 volume  0.82220E+00 ppm1      8.243 ppm2      0.270
 OR { 2308}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
 ASSI { 2315}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  172 and name HE3 ))
      3.600     2.600     1.900 peak  2315 weight  0.10000E+01 volume  0.71040E+00 ppm1      8.244 ppm2      6.890
 OR { 2315}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
 OR { 2315}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  172 and name HD1 ))
 ASSI { 2319}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      3.700     2.700     1.800 peak  2319 weight  0.10000E+01 volume  0.65640E+00 ppm1      8.730 ppm2      0.647
 OR { 2319}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 ASSI { 2322}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      3.500     2.500     2.000 peak  2322 weight  0.10000E+01 volume  0.89000E+00 ppm1      8.731 ppm2      0.819
 OR { 2322}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 2322}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 OR { 2322}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 ASSI { 2324}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  177 and name HB2 ))
      3.500     2.500     2.000 peak  2324 weight  0.10000E+01 volume  0.79520E+00 ppm1      7.993 ppm2      2.844
 OR { 2324}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   89 and name HA2 ))
 ASSI { 2325}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   88 and name HB1 ))
      3.800     2.900     1.700 peak  2325 weight  0.10000E+01 volume  0.53830E+00 ppm1      7.989 ppm2      1.365
 OR { 2325}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   88 and name HB2 ))
 OR { 2325}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2327}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid  123 and name HN  ))
      3.500     2.500     2.000 peak  2327 weight  0.10000E+01 volume  0.88550E+00 ppm1      7.435 ppm2      8.304
 OR { 2327}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid  124 and name HN  ))
 ASSI { 2331}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  176 and name HA2 ))
      3.600     2.600     1.900 peak  2331 weight  0.10000E+01 volume  0.70760E+00 ppm1      8.127 ppm2      3.129
 OR { 2331}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  102 and name HB1 ))
 ASSI { 2333}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  172 and name HA  ))
      3.500     2.500     2.000 peak  2333 weight  0.10000E+01 volume  0.85360E+00 ppm1      9.712 ppm2      5.249
 OR { 2333}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  173 and name HA  ))
 ASSI { 2335}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  172 and name HE3 ))
      3.800     2.900     1.700 peak  2335 weight  0.10000E+01 volume  0.48430E+00 ppm1      9.749 ppm2      6.891
 OR { 2335}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
 OR { 2335}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  172 and name HD1 ))
 ASSI { 2337}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  172 and name HE3 ))
      3.500     2.500     2.000 peak  2337 weight  0.10000E+01 volume  0.85210E+00 ppm1      9.710 ppm2      6.923
 OR { 2337}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
 OR { 2337}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  165 and name HE  ))
 OR { 2337}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  172 and name HD1 ))
 ASSI { 2339}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  147 and name HA  ))
      3.700     2.700     1.800 peak  2339 weight  0.10000E+01 volume  0.62800E+00 ppm1      9.724 ppm2      4.432
 OR { 2339}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  148 and name HA  ))
 OR { 2339}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  169 and name HA  ))
 ASSI { 2341}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  162 and name HB1 ))
      3.800     2.900     1.700 peak  2341 weight  0.10000E+01 volume  0.54780E+00 ppm1      9.694 ppm2      2.685
 OR { 2341}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  172 and name HB2 ))
 ASSI { 2346}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  161 and name HB2 ))
      3.600     2.600     1.900 peak  2346 weight  0.10000E+01 volume  0.78040E+00 ppm1      9.168 ppm2      3.642
 OR { 2346}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  161 and name HB1 ))
 OR { 2346}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  159 and name HA1 ))
 ASSI { 2352}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  154 and name HB2 ))
      3.600     2.600     1.900 peak  2352 weight  0.10000E+01 volume  0.68480E+00 ppm1      7.674 ppm2      1.830
 OR { 2352}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  154 and name HB1 ))
 OR { 2352}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  154 and name HG2 ))
 OR { 2352}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  154 and name HG1 ))
 OR { 2352}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  158 and name HG1 ))
 OR { 2352}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  158 and name HG2 ))
 ASSI { 2354}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  176 and name HA1 ))
      3.600     2.600     1.900 peak  2354 weight  0.10000E+01 volume  0.77110E+00 ppm1      7.651 ppm2      4.914
 OR { 2354}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  151 and name HA  ))
 ASSI { 2358}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   78 and name HB2 ))
      3.800     2.900     1.700 peak  2358 weight  0.10000E+01 volume  0.53740E+00 ppm1      8.608 ppm2      3.931
 OR { 2358}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   77 and name HA  ))
 ASSI { 2363}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
      3.900     3.000     1.600 peak  2363 weight  0.10000E+01 volume  0.50710E+00 ppm1      7.354 ppm2      6.982
 OR { 2363}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
 OR { 2363}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  160 and name CE1 ))
 ASSI { 2384}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  150 and name HB1 ))
      3.600     2.600     1.900 peak  2384 weight  0.10000E+01 volume  0.75577E+00 ppm1      8.746 ppm2      2.738
 OR { 2384}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid GPPY and resid 4    and name HA2 ))
 ASSI { 2385}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  149 and name HB1 ))
      3.600     2.600     1.900 peak  2385 weight  0.10000E+01 volume  0.66548E+00 ppm1      8.743 ppm2      2.540
 OR { 2385}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  149 and name HB2 ))
 OR { 2385}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid GPPY and resid 4    and name HA1 ))
 ASSI { 2387}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  151 and name HA  ))
      3.700     2.700     1.800 peak  2387 weight  0.10000E+01 volume  0.58071E+00 ppm1      8.229 ppm2      4.926
 OR { 2387}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  176 and name HA1 ))
 OR { 2387}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  178 and name HA  ))
 ASSI { 2392}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  153 and name HB2 ))
      3.600     2.600     1.900 peak  2392 weight  0.10000E+01 volume  0.74531E+00 ppm1      8.738 ppm2      3.347
 OR { 2392}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  153 and name HB1 ))
 OR { 2392}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  156 and name HB2 ))
 ASSI { 2393}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  156 and name HB1 ))
      3.800     2.900     1.700 peak  2393 weight  0.10000E+01 volume  0.51881E+00 ppm1      8.733 ppm2      3.081
 OR { 2393}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  154 and name HD1 ))
 ASSI { 2396}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  156 and name HA  ))
      3.600     2.600     1.900 peak  2396 weight  0.10000E+01 volume  0.71438E+00 ppm1      9.846 ppm2      4.569
 OR { 2396}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  183 and name HA  ))
 ASSI { 2403}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid  171 and name HD2 ))
      3.600     2.600     1.900 peak  2403 weight  0.10000E+01 volume  0.75603E+00 ppm1      7.188 ppm2      3.143
 OR { 2403}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid  171 and name HD1 ))
 OR { 2403}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   98 and name HN  ))
 ASSI { 2407}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.700     2.700     1.800 peak  2407 weight  0.10000E+01 volume  0.57610E+00 ppm1      8.119 ppm2      0.641
 OR { 2407}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 OR { 2407}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 OR { 2407}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 OR { 2407}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 ASSI { 2408}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  164 and name HN  ))
      3.600     2.600     1.900 peak  2408 weight  0.10000E+01 volume  0.66790E+00 ppm1      9.156 ppm2      9.682
 OR { 2408}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   87 and name HN  ))
 ASSI { 2409}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  173 and name HB1 ))
      3.500     2.500     2.000 peak  2409 weight  0.10000E+01 volume  0.90000E+00 ppm1      8.730 ppm2      1.674
 OR { 2409}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  171 and name HB2 ))
 OR { 2409}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  171 and name HB1 ))
 ASSI { 2411}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  171 and name HA  ))
      3.700     2.700     1.800 peak  2411 weight  0.10000E+01 volume  0.65115E+00 ppm1      8.494 ppm2      4.300
 OR { 2411}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  168 and name HA  ))
 OR { 2411}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  169 and name HB  ))
 OR { 2411}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  165 and name HA  ))
 ASSI { 2417}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid   93 and name HN  ))
      3.800     2.900     1.700 peak  2417 weight  0.10000E+01 volume  0.51582E+00 ppm1      9.178 ppm2      8.255
 OR { 2417}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  165 and name HN  ))
 ASSI { 2418}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   91 and name HA  ))
      3.700     2.700     1.800 peak  2418 weight  0.10000E+01 volume  0.60737E+00 ppm1      9.173 ppm2      4.392
 OR { 2418}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   93 and name HA  ))
 ASSI { 2420}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  179 and name HN  ))
      3.700     2.700     1.800 peak  2420 weight  0.10000E+01 volume  0.64451E+00 ppm1      8.876 ppm2      9.685
 OR { 2420}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   87 and name HN  ))
 ASSI { 2421}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  181 and name HB1 ))
      3.500     2.500     2.000 peak  2421 weight  0.10000E+01 volume  0.85360E+00 ppm1      8.250 ppm2      1.823
 OR { 2421}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   86 and name HB2 ))
 OR { 2421}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   68 and name HB1 ))
 OR { 2421}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   68 and name HB2 ))
 ASSI { 2427}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  186 and name HN  ))
      3.600     2.600     1.900 peak  2427 weight  0.10000E+01 volume  0.68414E+00 ppm1      8.324 ppm2      7.691
 OR { 2427}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  188 and name HN  ))
 ASSI { 2433}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  187 and name HA  ))
      3.600     2.600     1.900 peak  2433 weight  0.10000E+01 volume  0.69342E+00 ppm1      7.701 ppm2      2.672
 OR { 2433}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  189 and name HB2 ))
 ASSI { 2438}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  192 and name HN  ))
      3.500     2.500     2.000 peak  2438 weight  0.10000E+01 volume  0.82024E+00 ppm1      7.729 ppm2      8.335
 OR { 2438}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  183 and name HN  ))
 ASSI { 2440}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      3.600     2.600     1.900 peak  2440 weight  0.10000E+01 volume  0.68780E+00 ppm1      7.737 ppm2      1.245
 OR { 2440}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  187 and name HG  ))
 ASSI { 2441}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid GPPY and resid 2    and name HE1 )
     OR 
    ( segid GPPY and resid 2    and name HE2 ))
      3.600     2.600     1.900 peak  2441 weight  0.10000E+01 volume  0.72015E+00 ppm1      8.332 ppm2      6.616
 OR { 2441}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  162 and name HE1 )
     OR 
    ( segid PTB  and resid  162 and name HE2 ))
 ASSI { 2445}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
      3.500     2.500     2.000 peak  2445 weight  0.10000E+01 volume  0.90000E+00 ppm1      8.381 ppm2      4.459
 OR { 2445}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  133 and name HA  ))
 ASSI { 2448}
   (( segid PTB  and resid  154 and name HE  ))
   (( segid PTB  and resid  154 and name HA  ))
      3.800     2.900     1.700 peak  2448 weight  0.10000E+01 volume  0.55323E+00 ppm1      7.217 ppm2      4.117
 OR { 2448}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid   89 and name HA1 ))
 ASSI {   61}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  173 and name HG1 ))
      3.100     1.100     1.100 peak    61 weight  0.10000E+01 volume  0.89930E+00 ppm1      8.753 ppm2      2.190
 OR {   61}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  173 and name HG2 ))
 OR {   61}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  165 and name HD2 ))
 ASSI {  115}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  155 and name HA  ))
      3.100     1.100     1.100 peak   115 weight  0.10000E+01 volume  0.90000E+00 ppm1      9.113 ppm2      4.735
 OR {  115}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  158 and name HA  ))
 ASSI {  124}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.400     0.800     0.800 peak   124 weight  0.10000E+01 volume  0.47772E+01 ppm1      8.421 ppm2      1.752
 OR {  124}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   92 and name HB1 ))
 ASSI {  131}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.900     1.000     1.000 peak   131 weight  0.10000E+01 volume  0.16345E+01 ppm1      9.823 ppm2      0.634
 OR {  131}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI {  143}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
      2.100     0.700     0.700 peak   143 weight  0.10000E+01 volume  0.11309E+02 ppm1      9.122 ppm2      4.476
 OR {  143}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  133 and name HA  ))
 ASSI {  151}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.500     0.900     0.900 peak   151 weight  0.10000E+01 volume  0.33193E+01 ppm1      8.687 ppm2      0.814
 OR {  151}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 OR {  151}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 ASSI {  218}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
      2.700     0.900     0.900 peak   218 weight  0.10000E+01 volume  0.20535E+01 ppm1      7.544 ppm2      0.570
 OR {  218}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
 ASSI {  227}
   (( segid PTB  and resid  208 and name HN  ))
   (( segid PTB  and resid  208 and name HA  ))
      2.600     0.900     0.900 peak   227 weight  0.10000E+01 volume  0.27023E+01 ppm1      8.231 ppm2      4.330
 OR {  227}
   (( segid PTB  and resid  208 and name HN  ))
   (( segid PTB  and resid  207 and name HA  ))
 ASSI {  301}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   64 and name HA  ))
      2.100     0.700     0.700 peak   301 weight  0.10000E+01 volume  0.89786E+01 ppm1      8.127 ppm2      4.463
 OR {  301}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   65 and name HA  ))
 ASSI {  302}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   64 and name HB2 ))
      2.800     1.000     1.000 peak   302 weight  0.10000E+01 volume  0.18905E+01 ppm1      8.126 ppm2      3.870
 OR {  302}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   64 and name HB1 ))
 OR {  302}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid   78 and name HB1 ))
 ASSI {  312}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      3.000     1.000     1.000 peak   312 weight  0.10000E+01 volume  0.12238E+01 ppm1      8.453 ppm2      0.843
 OR {  312}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 OR {  312}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 ASSI {  313}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   81 and name HB1 ))
      3.000     1.000     1.000 peak   313 weight  0.10000E+01 volume  0.11993E+01 ppm1      8.327 ppm2      3.044
 OR {  313}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   82 and name HB1 ))
 ASSI {  355}
   (( segid PTB  and resid  209 and name HN  ))
   (( segid PTB  and resid  208 and name HA  ))
      2.500     0.900     0.900 peak   355 weight  0.10000E+01 volume  0.35260E+01 ppm1      8.174 ppm2      4.304
 OR {  355}
   (( segid PTB  and resid  209 and name HN  ))
   (( segid PTB  and resid  209 and name HA  ))
 OR {  355}
   (( segid PTB  and resid  207 and name HN  ))
   (( segid PTB  and resid  207 and name HA  ))
 OR {  355}
   (( segid PTB  and resid  207 and name HN  ))
   (( segid PTB  and resid  206 and name HA  ))
 ASSI {  356}
   (( segid PTB  and resid  209 and name HN  ))
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
      2.800     1.000     1.000 peak   356 weight  0.10000E+01 volume  0.19984E+01 ppm1      8.167 ppm2      1.423
 OR {  356}
   (( segid PTB  and resid  209 and name HN  ))
   (( segid PTB  and resid  208 and name HB1 )
     OR 
    ( segid PTB  and resid  208 and name HB3 )
     OR 
    ( segid PTB  and resid  208 and name HB2 ))
 ASSI {  365}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  105 and name HA  ))
      2.400     0.800     0.800 peak   365 weight  0.10000E+01 volume  0.49893E+01 ppm1      7.620 ppm2      4.036
 OR {  365}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI {  368}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      3.200     1.100     1.100 peak   368 weight  0.10000E+01 volume  0.80860E+00 ppm1      7.617 ppm2      0.808
 OR {  368}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI {  371}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  119 and name HN  ))
      3.000     1.000     1.000 peak   371 weight  0.10000E+01 volume  0.11762E+01 ppm1      8.563 ppm2      9.108
 OR {  371}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  121 and name HN  ))
 OR {  371}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  133 and name HN  ))
 ASSI {  378}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  120 and name HG  ))
      2.800     1.000     1.000 peak   378 weight  0.10000E+01 volume  0.19147E+01 ppm1      8.561 ppm2      0.818
 OR {  378}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR {  378}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
 ASSI {  383}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  191 and name HN  ))
      2.500     0.900     0.900 peak   383 weight  0.10000E+01 volume  0.34839E+01 ppm1      7.361 ppm2      7.744
 OR {  383}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  188 and name HN  ))
 ASSI {  386}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  189 and name HB2 ))
      2.700     0.900     0.900 peak   386 weight  0.10000E+01 volume  0.22541E+01 ppm1      7.362 ppm2      2.671
 OR {  386}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  187 and name HA  ))
 ASSI {  395}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  129 and name HA  ))
      2.200     0.800     0.800 peak   395 weight  0.10000E+01 volume  0.75050E+01 ppm1      8.871 ppm2      5.325
 OR {  395}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  130 and name HA  ))
 ASSI {  406}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  130 and name HB  ))
      2.600     0.900     0.900 peak   406 weight  0.10000E+01 volume  0.27727E+01 ppm1      8.872 ppm2      1.700
 OR {  406}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  129 and name HB2 ))
 ASSI {  416}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  188 and name HN  ))
      2.500     0.900     0.900 peak   416 weight  0.10000E+01 volume  0.33391E+01 ppm1      6.515 ppm2      7.707
 OR {  416}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  186 and name HN  ))
 ASSI {  443}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  109 and name HA  ))
      2.700     0.900     0.900 peak   443 weight  0.10000E+01 volume  0.24798E+01 ppm1      8.558 ppm2      3.829
 OR {  443}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI {  447}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.900     1.000     1.000 peak   447 weight  0.10000E+01 volume  0.15470E+01 ppm1      8.562 ppm2      0.904
 OR {  447}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 ASSI {  450}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   69 and name HN  ))
      2.900     1.000     1.000 peak   450 weight  0.10000E+01 volume  0.13656E+01 ppm1      8.342 ppm2      8.594
 OR {  450}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   69 and name HN  ))
 ASSI {  451}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   70 and name HN  ))
      2.600     0.900     0.900 peak   451 weight  0.10000E+01 volume  0.31032E+01 ppm1      8.340 ppm2      7.946
 OR {  451}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  126 and name HN  ))
 ASSI {  475}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  128 and name HA  ))
      2.200     0.800     0.800 peak   475 weight  0.10000E+01 volume  0.83660E+01 ppm1      8.573 ppm2      5.311
 OR {  475}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  129 and name HA  ))
 ASSI {  478}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      3.100     1.100     1.100 peak   478 weight  0.10000E+01 volume  0.10721E+01 ppm1      8.570 ppm2      0.633
 OR {  478}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
 ASSI {  481}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  112 and name HA  ))
      2.200     0.800     0.800 peak   481 weight  0.10000E+01 volume  0.79505E+01 ppm1      8.459 ppm2      4.295
 OR {  481}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HA  ))
 ASSI {  501}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  173 and name HN  ))
      3.000     1.000     1.000 peak   501 weight  0.10000E+01 volume  0.12888E+01 ppm1      9.717 ppm2      9.177
 OR {  501}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  163 and name HN  ))
 ASSI {  510}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  114 and name HA  ))
      2.200     0.800     0.800 peak   510 weight  0.10000E+01 volume  0.71190E+01 ppm1      7.910 ppm2      4.247
 OR {  510}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  113 and name HA  ))
 ASSI {  514}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  147 and name HA  ))
      2.700     0.900     0.900 peak   514 weight  0.10000E+01 volume  0.21861E+01 ppm1      7.719 ppm2      4.442
 OR {  514}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  146 and name HA  ))
 ASSI {  518}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
      2.600     0.900     0.900 peak   518 weight  0.10000E+01 volume  0.30758E+01 ppm1      7.480 ppm2      3.991
 OR {  518}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
 ASSI {  519}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
      2.600     0.900     0.900 peak   519 weight  0.10000E+01 volume  0.28186E+01 ppm1      7.474 ppm2      3.617
 OR {  519}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  195 and name HB2 ))
 OR {  519}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
 ASSI {  520}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  195 and name HN  ))
      2.400     0.800     0.800 peak   520 weight  0.10000E+01 volume  0.42863E+01 ppm1      7.471 ppm2      8.239
 OR {  520}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  197 and name HN  ))
 ASSI {  526}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  147 and name HA  ))
      2.500     0.900     0.900 peak   526 weight  0.10000E+01 volume  0.36733E+01 ppm1      9.559 ppm2      4.429
 OR {  526}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  148 and name HA  ))
 ASSI {  543}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.900     1.000     1.000 peak   543 weight  0.10000E+01 volume  0.14868E+01 ppm1      7.727 ppm2      1.373
 OR {  543}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
 ASSI {  544}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  144 and name HA  ))
      3.200     1.100     1.100 peak   544 weight  0.10000E+01 volume  0.87280E+00 ppm1      7.720 ppm2      3.947
 OR {  544}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  145 and name HA  ))
 ASSI {  571}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   71 and name HN  ))
      2.600     0.900     0.900 peak   571 weight  0.10000E+01 volume  0.29814E+01 ppm1      7.966 ppm2      8.376
 OR {  571}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   67 and name HN  ))
 ASSI {  582}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  149 and name HN  ))
      3.200     1.100     1.100 peak   582 weight  0.10000E+01 volume  0.87340E+00 ppm1      9.144 ppm2      8.101
 OR {  582}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HN  ))
 ASSI {  583}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HA  ))
      2.600     0.900     0.900 peak   583 weight  0.10000E+01 volume  0.30513E+01 ppm1      9.133 ppm2      5.480
 OR {  583}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
 ASSI {  593}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HA  ))
      2.700     0.900     0.900 peak   593 weight  0.10000E+01 volume  0.23560E+01 ppm1      8.268 ppm2      4.086
 OR {  593}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  199 and name HA  ))
 ASSI {  594}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HG2 ))
      3.000     1.000     1.000 peak   594 weight  0.10000E+01 volume  0.13265E+01 ppm1      8.268 ppm2      2.526
 OR {  594}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HG1 ))
 OR {  594}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  103 and name HG2 ))
 ASSI {  636}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  155 and name HB1 ))
      2.900     1.000     1.000 peak   636 weight  0.10000E+01 volume  0.14347E+01 ppm1      7.698 ppm2      2.789
 OR {  636}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  150 and name HB1 ))
 ASSI {  647}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  197 and name HA  ))
      3.000     1.000     1.000 peak   647 weight  0.10000E+01 volume  0.12157E+01 ppm1      8.279 ppm2      3.621
 OR {  647}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  125 and name HA1 ))
 OR {  647}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  195 and name HB2 ))
 ASSI {  652}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  197 and name HA  ))
      2.600     0.900     0.900 peak   652 weight  0.10000E+01 volume  0.30544E+01 ppm1      8.227 ppm2      3.622
 OR {  652}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
 ASSI {  660}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  205 and name HB2 ))
      2.700     0.900     0.900 peak   660 weight  0.10000E+01 volume  0.20854E+01 ppm1      8.078 ppm2      1.929
 OR {  660}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  204 and name HB2 ))
 OR {  660}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  204 and name HB1 ))
 OR {  660}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  205 and name HB1 ))
 ASSI {  702}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  172 and name HA  ))
      2.400     0.800     0.800 peak   702 weight  0.10000E+01 volume  0.51089E+01 ppm1      9.171 ppm2      5.267
 OR {  702}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  173 and name HA  ))
 ASSI {  715}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  180 and name HB1 ))
      2.900     1.000     1.000 peak   715 weight  0.10000E+01 volume  0.16249E+01 ppm1      8.253 ppm2      2.645
 OR {  715}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   72 and name HB2 ))
 ASSI {  716}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  202 and name HD2 ))
      3.100     1.100     1.100 peak   716 weight  0.10000E+01 volume  0.96310E+00 ppm1      8.019 ppm2      1.686
 OR {  716}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  716}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HG2 ))
 OR {  716}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  199 and name HB2 ))
 OR {  716}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  199 and name HB1 ))
 ASSI {  718}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  202 and name HA  ))
      2.700     0.900     0.900 peak   718 weight  0.10000E+01 volume  0.20570E+01 ppm1      8.011 ppm2      4.145
 OR {  718}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  201 and name HA  ))
 ASSI {  724}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   83 and name HA  ))
      2.200     0.800     0.800 peak   724 weight  0.10000E+01 volume  0.88732E+01 ppm1      9.381 ppm2      5.002
 OR {  724}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   84 and name HA  ))
 ASSI {  729}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   86 and name HN  ))
      2.900     1.000     1.000 peak   729 weight  0.10000E+01 volume  0.13930E+01 ppm1      8.909 ppm2      9.175
 OR {  729}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  177 and name HN  ))
 ASSI {  732}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  177 and name HB2 ))
      2.900     1.000     1.000 peak   732 weight  0.10000E+01 volume  0.15032E+01 ppm1      8.911 ppm2      2.892
 OR {  732}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   87 and name HB1 ))
 ASSI {  742}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  100 and name HA  ))
      2.800     1.000     1.000 peak   742 weight  0.10000E+01 volume  0.19116E+01 ppm1      8.457 ppm2      4.163
 OR {  742}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI {  751}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  180 and name HA  ))
      2.900     1.000     1.000 peak   751 weight  0.10000E+01 volume  0.16123E+01 ppm1      8.229 ppm2      4.209
 OR {  751}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   71 and name HA  ))
 ASSI {  761}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  202 and name HB2 ))
      2.500     0.900     0.900 peak   761 weight  0.10000E+01 volume  0.39086E+01 ppm1      8.017 ppm2      2.012
 OR {  761}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  202 and name HB1 ))
 OR {  761}
   (( segid PTB  and resid  202 and name HN  ))
   (( segid PTB  and resid  201 and name HB2 ))
 OR {  761}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  202 and name HB1 ))
 ASSI {  767}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.400     2.400     2.100 peak   767 weight  0.10000E+01 volume  0.43861E+01 ppm1      7.744 ppm2      0.678
 OR {  767}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 ASSI {  775}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HG2 ))
      3.000     1.000     1.000 peak   775 weight  0.10000E+01 volume  0.12033E+01 ppm1      7.924 ppm2      1.703
 OR {  775}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  199 and name HB2 ))
 OR {  775}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  199 and name HB1 ))
 ASSI {  779}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  105 and name HA  ))
      2.900     1.000     1.000 peak   779 weight  0.10000E+01 volume  0.15966E+01 ppm1      7.440 ppm2      4.035
 OR {  779}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI {  783}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HA  ))
      3.200     1.100     1.100 peak   783 weight  0.10000E+01 volume  0.83360E+00 ppm1      7.427 ppm2      3.842
 OR {  783}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI {  792}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      3.100     1.100     1.100 peak   792 weight  0.10000E+01 volume  0.90430E+00 ppm1      7.448 ppm2      0.930
 OR {  792}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 ASSI {  804}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
      2.600     0.900     0.900 peak   804 weight  0.10000E+01 volume  0.30117E+01 ppm1      8.078 ppm2      2.099
 OR {  804}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  200 and name HB1 ))
 ASSI {  805}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.200     1.100     1.100 peak   805 weight  0.10000E+01 volume  0.89500E+00 ppm1      8.079 ppm2      0.989
 OR {  805}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 ASSI {  812}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.600     0.900     0.900 peak   812 weight  0.10000E+01 volume  0.26008E+01 ppm1      7.269 ppm2      0.857
 OR {  812}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 ASSI {  816}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  201 and name HB1 ))
      2.500     0.900     0.900 peak   816 weight  0.10000E+01 volume  0.36024E+01 ppm1      8.072 ppm2      2.012
 OR {  816}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  201 and name HB2 ))
 OR {  816}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  201 and name HB2 ))
 OR {  816}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  202 and name HB1 ))
 ASSI {  821}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  104 and name HA  ))
      2.700     0.900     0.900 peak   821 weight  0.10000E+01 volume  0.20606E+01 ppm1      7.552 ppm2      4.037
 OR {  821}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  105 and name HA  ))
 ASSI {  826}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HG2 ))
      3.200     1.100     1.100 peak   826 weight  0.10000E+01 volume  0.87330E+00 ppm1      7.554 ppm2      1.329
 OR {  826}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 OR {  826}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HG1 ))
 ASSI {  836}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  133 and name HA  ))
      2.900     1.000     1.000 peak   836 weight  0.10000E+01 volume  0.13577E+01 ppm1      8.813 ppm2      4.485
 OR {  836}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
 ASSI {  839}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  105 and name HN  ))
      2.500     0.900     0.900 peak   839 weight  0.10000E+01 volume  0.37822E+01 ppm1      8.523 ppm2      7.589
 OR {  839}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  107 and name HN  ))
 ASSI {  846}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  202 and name HA  ))
      2.800     1.000     1.000 peak   846 weight  0.10000E+01 volume  0.20021E+01 ppm1      8.054 ppm2      4.190
 OR {  846}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  203 and name HA  ))
 ASSI {  848}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  200 and name HN  ))
      2.900     2.900     1.600 peak   848 weight  0.10000E+01 volume  0.14796E+01 ppm1      8.011 ppm2      8.266
 OR {  848}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  199 and name HN  ))
 ASSI {  851}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  201 and name HB2 ))
      2.500     0.900     0.900 peak   851 weight  0.10000E+01 volume  0.38990E+01 ppm1      8.011 ppm2      1.995
 OR {  851}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  202 and name HB1 ))
 OR {  851}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  202 and name HB2 ))
 ASSI {  867}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HA  ))
      2.800     1.000     1.000 peak   867 weight  0.10000E+01 volume  0.17710E+01 ppm1      7.057 ppm2      4.590
 OR {  867}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  179 and name HA  ))
 ASSI {  875}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid   99 and name HB1 ))
      2.300     0.800     0.800 peak   875 weight  0.10000E+01 volume  0.58422E+01 ppm1      8.842 ppm2      2.081
 OR {  875}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  100 and name HB1 ))
 ASSI {  881}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  133 and name HB1 ))
      2.600     0.900     0.900 peak   881 weight  0.10000E+01 volume  0.29386E+01 ppm1      8.815 ppm2      2.586
 OR {  881}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
 OR {  881}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  133 and name HB2 ))
 ASSI {  888}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  109 and name HA  ))
      2.900     1.000     1.000 peak   888 weight  0.10000E+01 volume  0.13770E+01 ppm1      8.466 ppm2      3.845
 OR {  888}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  107 and name HA  ))
 ASSI {  907}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  176 and name HA2 ))
      2.700     0.900     0.900 peak   907 weight  0.10000E+01 volume  0.21121E+01 ppm1      9.159 ppm2      3.154
 OR {  907}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  177 and name HB1 ))
 ASSI {  921}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   75 and name HN  ))
      2.500     0.900     0.900 peak   921 weight  0.10000E+01 volume  0.39007E+01 ppm1      7.731 ppm2      7.881
 OR {  921}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   73 and name HN  ))
 ASSI {  924}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   73 and name HB1 ))
      2.500     0.900     0.900 peak   924 weight  0.10000E+01 volume  0.35381E+01 ppm1      7.734 ppm2      2.288
 OR {  924}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   73 and name HB2 ))
 OR {  924}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   74 and name HG1 ))
 ASSI {  927}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  172 and name HN  ))
      3.100     1.100     1.100 peak   927 weight  0.10000E+01 volume  0.10765E+01 ppm1      7.349 ppm2      8.732
 OR {  927}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  166 and name HN  ))
 ASSI {  931}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HA  ))
      2.600     0.900     0.900 peak   931 weight  0.10000E+01 volume  0.30328E+01 ppm1      7.351 ppm2      4.292
 OR {  931}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  169 and name HB  ))
 ASSI {  935}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HB1 ))
      2.700     0.900     0.900 peak   935 weight  0.10000E+01 volume  0.22610E+01 ppm1      7.353 ppm2      1.641
 OR {  935}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HB2 ))
 OR {  935}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  173 and name HB1 ))
 ASSI {  949}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.700     0.900     0.900 peak   949 weight  0.10000E+01 volume  0.23691E+01 ppm1      7.186 ppm2      0.821
 OR {  949}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 OR {  949}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI {  982}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      3.200     1.100     1.100 peak   982 weight  0.10000E+01 volume  0.83230E+00 ppm1      8.081 ppm2      1.299
 OR {  982}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  136 and name HG1 ))
 ASSI {  994}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  145 and name HA  ))
      2.600     0.900     0.900 peak   994 weight  0.10000E+01 volume  0.29925E+01 ppm1      8.594 ppm2      3.951
 OR {  994}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  144 and name HA  ))
 ASSI { 1019}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   83 and name HA  ))
      2.900     1.000     1.000 peak  1019 weight  0.10000E+01 volume  0.14933E+01 ppm1      8.569 ppm2      4.991
 OR { 1019}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  122 and name HA  ))
 ASSI { 1025}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  196 and name HN  ))
      2.600     0.900     0.900 peak  1025 weight  0.10000E+01 volume  0.29941E+01 ppm1      8.253 ppm2      7.521
 OR { 1025}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  194 and name HN  ))
 ASSI { 1028}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
      2.700     0.900     0.900 peak  1028 weight  0.10000E+01 volume  0.23993E+01 ppm1      8.249 ppm2      3.619
 OR { 1028}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  195 and name HB2 ))
 ASSI { 1033}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  107 and name HA  ))
      3.200     1.100     1.100 peak  1033 weight  0.10000E+01 volume  0.85860E+00 ppm1      7.520 ppm2      3.832
 OR { 1033}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  109 and name HA  ))
 ASSI { 1050}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      3.200     1.100     1.100 peak  1050 weight  0.10000E+01 volume  0.88630E+00 ppm1      8.710 ppm2      0.808
 OR { 1050}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1059}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  188 and name HN  ))
      2.900     1.000     1.000 peak  1059 weight  0.10000E+01 volume  0.16032E+01 ppm1      8.069 ppm2      7.730
 OR { 1059}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  186 and name HN  ))
 ASSI { 1062}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
      2.700     0.900     0.900 peak  1062 weight  0.10000E+01 volume  0.20615E+01 ppm1      8.068 ppm2      4.047
 OR { 1062}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  189 and name HA  ))
 OR { 1062}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  188 and name HB1 ))
 ASSI { 1081}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  110 and name HN  ))
      2.900     1.000     1.000 peak  1081 weight  0.10000E+01 volume  0.14957E+01 ppm1      7.316 ppm2      8.460
 OR { 1081}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  113 and name HN  ))
 ASSI { 1085}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  112 and name HA  ))
      2.400     0.800     0.800 peak  1085 weight  0.10000E+01 volume  0.44852E+01 ppm1      7.314 ppm2      4.318
 OR { 1085}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  111 and name HA  ))
 ASSI { 1094}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  125 and name HA2 ))
      2.900     1.000     1.000 peak  1094 weight  0.10000E+01 volume  0.14186E+01 ppm1      7.921 ppm2      3.996
 OR { 1094}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  124 and name HB1 ))
 OR { 1094}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  127 and name HA1 ))
 ASSI { 1109}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   97 and name HB2 ))
      2.600     0.900     0.900 peak  1109 weight  0.10000E+01 volume  0.25384E+01 ppm1      6.833 ppm2      1.451
 OR { 1109}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   96 and name HB2 ))
 ASSI { 1146}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  145 and name HA  ))
      2.900     1.000     1.000 peak  1146 weight  0.10000E+01 volume  0.13410E+01 ppm1      6.640 ppm2      3.951
 OR { 1146}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  144 and name HA  ))
 ASSI { 1173}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid  114 and name HA  ))
      3.000     1.000     1.000 peak  1173 weight  0.10000E+01 volume  0.11970E+01 ppm1      7.187 ppm2      4.266
 OR { 1173}
   (( segid PTB  and resid  113 and name HE  ))
   (( segid PTB  and resid  114 and name HA  ))
 OR { 1173}
   (( segid PTB  and resid  113 and name HE  ))
   (( segid PTB  and resid  113 and name HA  ))
 OR { 1173}
   (( segid PTB  and resid  207 and name HE  ))
   (( segid PTB  and resid  206 and name HA  ))
 ASSI { 1174}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HD2 ))
      2.900     1.000     1.000 peak  1174 weight  0.10000E+01 volume  0.15527E+01 ppm1      7.183 ppm2      3.126
 OR { 1174}
   (( segid PTB  and resid  154 and name HE  ))
   (( segid PTB  and resid  154 and name HD1 ))
 OR { 1174}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid  114 and name HD1 ))
 OR { 1174}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid  114 and name HD2 ))
 OR { 1174}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HD1 ))
 ASSI { 1176}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HB1 ))
      2.800     1.000     1.000 peak  1176 weight  0.10000E+01 volume  0.20029E+01 ppm1      7.178 ppm2      1.641
 OR { 1176}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HB2 ))
 OR { 1176}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid  114 and name HB1 ))
 ASSI { 1207}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HN  ))
      3.000     3.000     1.500 peak  1207 weight  0.10000E+01 volume  0.11031E+01 ppm1      7.175 ppm2      7.309
 OR { 1207}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid   94 and name HE1 )
     OR 
    ( segid PTB  and resid   94 and name HE2 ))
 OR { 1207}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid   94 and name HD1 )
     OR 
    ( segid PTB  and resid   94 and name HD2 ))
 OR { 1207}
   (( segid PTB  and resid  114 and name HE  ))
   (( segid PTB  and resid  112 and name HN  ))
 ASSI { 1328}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   90 and name HB2 ))
      3.100     1.100     1.100 peak  1328 weight  0.10000E+01 volume  0.10880E+01 ppm1      7.908 ppm2      1.604
 OR { 1328}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   90 and name HB1 ))
 OR { 1328}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI { 1338}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  183 and name HB1 ))
      3.100     1.100     1.100 peak  1338 weight  0.10000E+01 volume  0.91540E+00 ppm1      9.414 ppm2      4.430
 OR { 1338}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  157 and name HA  ))
 ASSI { 1345}
   (( segid PTB  and resid  169 and name HN  ))
   (( segid PTB  and resid  168 and name HB  ))
      2.100     0.700     0.700 peak  1345 weight  0.10000E+01 volume  0.10263E+02 ppm1      7.581 ppm2      4.293
 OR { 1345}
   (( segid PTB  and resid  169 and name HN  ))
   (( segid PTB  and resid  169 and name HB  ))
 OR { 1345}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   95 and name HA  ))
 ASSI { 1398}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  137 and name HA1 ))
      2.400     0.800     0.800 peak  1398 weight  0.10000E+01 volume  0.44854E+01 ppm1      8.384 ppm2      4.137
 OR { 1398}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  136 and name HA  ))
 ASSI { 1476}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HA  ))
      2.800     1.000     1.000 peak  1476 weight  0.10000E+01 volume  0.17944E+01 ppm1      9.178 ppm2      5.464
 OR { 1476}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
 OR { 1476}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
 ASSI { 1488}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.400     1.200     1.200 peak  1488 weight  0.10000E+01 volume  0.60950E+00 ppm1      9.179 ppm2      1.588
 OR { 1488}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HD2 ))
 OR { 1488}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HD1 ))
 OR { 1488}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  178 and name HB2 ))
 OR { 1488}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  178 and name HG  ))
 ASSI { 1493}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid  177 and name HB2 ))
      3.300     1.200     1.200 peak  1493 weight  0.10000E+01 volume  0.74360E+00 ppm1      8.357 ppm2      2.849
 OR { 1493}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   87 and name HB1 ))
 ASSI { 1499}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.200     1.100     1.100 peak  1499 weight  0.10000E+01 volume  0.74650E+00 ppm1      6.836 ppm2      0.636
 OR { 1499}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 ASSI { 1508}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      3.200     1.100     1.100 peak  1508 weight  0.10000E+01 volume  0.75190E+00 ppm1      9.151 ppm2      0.568
 OR { 1508}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
 OR { 1508}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1514}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  136 and name HB2 ))
      3.300     1.200     1.200 peak  1514 weight  0.10000E+01 volume  0.68982E+00 ppm1      8.079 ppm2      2.235
 OR { 1514}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  134 and name HB2 ))
 ASSI { 1526}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  189 and name HA  ))
      3.300     1.200     1.200 peak  1526 weight  0.10000E+01 volume  0.67431E+00 ppm1      8.339 ppm2      4.046
 OR { 1526}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
 ASSI { 1529}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.300     1.200     1.200 peak  1529 weight  0.10000E+01 volume  0.72381E+00 ppm1      7.467 ppm2      0.990
 OR { 1529}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 OR { 1529}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1535}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   91 and name HN  ))
      3.300     1.200     1.200 peak  1535 weight  0.10000E+01 volume  0.67836E+00 ppm1      7.993 ppm2      8.350
 OR { 1535}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   88 and name HN  ))
 ASSI { 1554}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  114 and name HD2 ))
      3.300     1.200     1.200 peak  1554 weight  0.10000E+01 volume  0.63687E+00 ppm1      8.666 ppm2      3.180
 OR { 1554}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  114 and name HD1 ))
 OR { 1554}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  113 and name HD2 ))
 ASSI { 1555}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  114 and name HG2 ))
      3.300     1.200     1.200 peak  1555 weight  0.10000E+01 volume  0.66613E+00 ppm1      8.654 ppm2      1.580
 OR { 1555}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  140 and name HB  ))
 OR { 1555}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  114 and name HG1 ))
 ASSI { 1561}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  186 and name HA  ))
      3.500     1.200     1.200 peak  1561 weight  0.10000E+01 volume  0.47961E+00 ppm1      7.367 ppm2      2.972
 OR { 1561}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
 ASSI { 1562}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  129 and name HA  ))
      3.400     1.200     1.200 peak  1562 weight  0.10000E+01 volume  0.53766E+00 ppm1      7.272 ppm2      5.331
 OR { 1562}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  130 and name HA  ))
 ASSI { 1572}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HG2 ))
      2.600     0.900     0.900 peak  1572 weight  0.10000E+01 volume  0.29304E+01 ppm1      8.259 ppm2      0.962
 OR { 1572}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HG1 ))
 OR { 1572}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI { 1581}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   95 and name HN  ))
      3.400     1.200     1.200 peak  1581 weight  0.10000E+01 volume  0.58287E+00 ppm1      6.846 ppm2      7.188
 OR { 1581}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   97 and name HE  ))
 ASSI { 1582}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   95 and name HA  ))
      3.300     1.200     1.200 peak  1582 weight  0.10000E+01 volume  0.69466E+00 ppm1      6.835 ppm2      4.300
 OR { 1582}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   98 and name HA2 ))
 ASSI { 1586}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  144 and name HG12))
      3.400     1.200     1.200 peak  1586 weight  0.10000E+01 volume  0.56826E+00 ppm1      7.553 ppm2      1.371
 OR { 1586}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
 ASSI { 1593}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      3.300     1.200     1.200 peak  1593 weight  0.10000E+01 volume  0.67207E+00 ppm1      8.854 ppm2      0.625
 OR { 1593}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 OR { 1593}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1608}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HB1 ))
      3.400     1.200     1.200 peak  1608 weight  0.10000E+01 volume  0.58958E+00 ppm1      9.701 ppm2      1.850
 OR { 1608}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HB2 ))
 OR { 1608}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid   86 and name HB2 ))
 OR { 1608}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HG2 ))
 ASSI { 1611}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   86 and name HN  ))
      3.300     1.200     1.200 peak  1611 weight  0.10000E+01 volume  0.67473E+00 ppm1      8.259 ppm2      9.173
 OR { 1611}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   85 and name HN  ))
 ASSI { 1615}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  200 and name HB2 ))
      3.300     1.200     1.200 peak  1615 weight  0.10000E+01 volume  0.68426E+00 ppm1      8.082 ppm2      2.341
 OR { 1615}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   74 and name HG1 ))
 ASSI {   88}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  108 and name HB  ))
      2.500     0.900     0.900 peak    88 weight  0.10000E+01 volume  0.23837E+01 ppm1      0.936 ppm2      2.280
 OR {   88}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  108 and name HB  ))
 ASSI {  167}
   (( segid PTB  and resid  205 and name HD1 ))
   (( segid PTB  and resid  205 and name HB2 ))
      2.400     0.800     0.800 peak   167 weight  0.10000E+01 volume  0.30809E+01 ppm1      3.248 ppm2      1.935
 OR {  167}
   (( segid PTB  and resid  205 and name HD2 ))
   (( segid PTB  and resid  205 and name HB2 ))
 OR {  167}
   (( segid PTB  and resid  205 and name HD1 ))
   (( segid PTB  and resid  205 and name HB1 ))
 OR {  167}
   (( segid PTB  and resid  204 and name HD2 ))
   (( segid PTB  and resid  204 and name HB2 ))
 OR {  167}
   (( segid PTB  and resid  204 and name HD2 ))
   (( segid PTB  and resid  204 and name HB1 ))
 OR {  167}
   (( segid PTB  and resid  204 and name HD1 ))
   (( segid PTB  and resid  204 and name HB1 ))
 ASSI {  171}
   (( segid PTB  and resid  205 and name HG2 ))
   (( segid PTB  and resid  205 and name HB1 ))
      1.800     0.600     0.600 peak   171 weight  0.10000E+01 volume  0.18926E+02 ppm1      1.713 ppm2      1.870
 OR {  171}
   (( segid PTB  and resid  207 and name HG1 ))
   (( segid PTB  and resid  207 and name HB2 ))
 OR {  171}
   (( segid PTB  and resid  207 and name HG2 ))
   (( segid PTB  and resid  207 and name HB1 ))
 OR {  171}
   (( segid PTB  and resid  205 and name HG1 ))
   (( segid PTB  and resid  205 and name HB1 ))
 OR {  171}
   (( segid PTB  and resid  205 and name HG2 ))
   (( segid PTB  and resid  205 and name HB2 ))
 OR {  171}
   (( segid PTB  and resid  207 and name HG2 ))
   (( segid PTB  and resid  207 and name HB2 ))
 OR {  171}
   (( segid PTB  and resid  205 and name HG1 ))
   (( segid PTB  and resid  205 and name HB2 ))
 ASSI {  260}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HB1 ))
      2.700     2.700     1.800 peak   260 weight  0.10000E+01 volume  0.13737E+01 ppm1      4.116 ppm2      1.935
 OR {  260}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HB2 ))
 OR {  260}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  205 and name HB1 ))
 OR {  260}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  205 and name HB2 ))
 ASSI {  348}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   77 and name HB1 ))
      2.600     2.600     1.900 peak   348 weight  0.10000E+01 volume  0.15852E+01 ppm1      2.073 ppm2      1.714
 OR {  348}
   (( segid PTB  and resid   74 and name HB1 ))
   (( segid PTB  and resid   77 and name HB1 ))
 OR {  348}
   (( segid PTB  and resid   74 and name HB2 ))
   (( segid PTB  and resid   77 and name HB1 ))
 ASSI {  482}
   (( segid PTB  and resid  181 and name HE2 ))
   (( segid PTB  and resid  181 and name HD2 ))
      2.100     0.700     0.700 peak   482 weight  0.10000E+01 volume  0.67117E+01 ppm1      3.036 ppm2      1.747
 OR {  482}
   (( segid PTB  and resid  202 and name HE1 ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  482}
   (( segid PTB  and resid  202 and name HE2 ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  482}
   (( segid PTB  and resid  181 and name HE1 ))
   (( segid PTB  and resid  181 and name HD1 ))
 OR {  482}
   (( segid PTB  and resid  181 and name HE2 ))
   (( segid PTB  and resid  181 and name HD1 ))
 OR {  482}
   (( segid PTB  and resid  202 and name HE2 ))
   (( segid PTB  and resid  202 and name HD2 ))
 OR {  482}
   (( segid PTB  and resid  202 and name HE1 ))
   (( segid PTB  and resid  202 and name HD2 ))
 ASSI {  484}
   (( segid PTB  and resid  173 and name HG2 ))
   (( segid PTB  and resid   92 and name HB2 ))
      2.500     2.500     2.000 peak   484 weight  0.10000E+01 volume  0.20188E+01 ppm1      2.189 ppm2      1.747
 OR {  484}
   (( segid PTB  and resid  173 and name HG2 ))
   (( segid PTB  and resid   92 and name HB1 ))
 OR {  484}
   (( segid PTB  and resid  173 and name HG1 ))
   (( segid PTB  and resid   92 and name HB2 ))
 OR {  484}
   (( segid PTB  and resid  173 and name HG1 ))
   (( segid PTB  and resid   92 and name HB1 ))
 OR {  484}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid   92 and name HB2 ))
 OR {  484}
   (( segid PTB  and resid  203 and name HB1 ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  484}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid   92 and name HB1 ))
 OR {  484}
   (( segid PTB  and resid  203 and name HB1 ))
   (( segid PTB  and resid  202 and name HD2 ))
 ASSI {  524}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  200 and name HB1 ))
      2.700     2.700     1.800 peak   524 weight  0.10000E+01 volume  0.13637E+01 ppm1      4.152 ppm2      2.131
 OR {  524}
   (( segid PTB  and resid  199 and name HA  ))
   (( segid PTB  and resid  200 and name HB1 ))
 OR {  524}
   (( segid PTB  and resid  198 and name HA  ))
   (( segid PTB  and resid  145 and name HB1 ))
 OR {  524}
   (( segid PTB  and resid   70 and name HA  ))
   (( segid PTB  and resid   74 and name HB2 ))
 OR {  524}
   (( segid PTB  and resid   70 and name HA  ))
   (( segid PTB  and resid   74 and name HB1 ))
 ASSI {  552}
   (( segid PTB  and resid  104 and name HA  ))
   (( segid PTB  and resid  104 and name HB2 ))
      2.300     0.800     0.800 peak   552 weight  0.10000E+01 volume  0.35044E+01 ppm1      4.038 ppm2      2.112
 OR {  552}
   (( segid PTB  and resid  104 and name HA  ))
   (( segid PTB  and resid  104 and name HB1 ))
 OR {  552}
   (( segid PTB  and resid   74 and name HA  ))
   (( segid PTB  and resid   74 and name HB1 ))
 OR {  552}
   (( segid PTB  and resid   74 and name HA  ))
   (( segid PTB  and resid   74 and name HB2 ))
 ASSI {  557}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  104 and name HB1 ))
      1.900     0.700     0.700 peak   557 weight  0.10000E+01 volume  0.13581E+02 ppm1      2.432 ppm2      2.134
 OR {  557}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  111 and name HB2 ))
 OR {  557}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  104 and name HB2 ))
 ASSI {  560}
   (( segid PTB  and resid  113 and name HB2 ))
   (( segid PTB  and resid  113 and name HB1 ))
      2.000     0.700     0.700 peak   560 weight  0.10000E+01 volume  0.87992E+01 ppm1      2.031 ppm2      1.835
 OR {  560}
   (( segid PTB  and resid   68 and name HG2 ))
   (( segid PTB  and resid   68 and name HB1 ))
 ASSI {  565}
   (( segid PTB  and resid   65 and name HG1 ))
   (( segid PTB  and resid   65 and name HD2 ))
      2.600     0.900     0.900 peak   565 weight  0.10000E+01 volume  0.16491E+01 ppm1      1.187 ppm2      1.642
 OR {  565}
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
   (( segid PTB  and resid  144 and name HG11))
 OR {  565}
   (( segid PTB  and resid   65 and name HG1 ))
   (( segid PTB  and resid   65 and name HD1 ))
 ASSI {  732}
   (( segid PTB  and resid  204 and name HA  ))
   (( segid PTB  and resid  204 and name HG2 ))
      2.300     0.800     0.800 peak   732 weight  0.10000E+01 volume  0.36285E+01 ppm1      4.274 ppm2      1.702
 OR {  732}
   (( segid PTB  and resid  113 and name HA  ))
   (( segid PTB  and resid  113 and name HG1 ))
 OR {  732}
   (( segid PTB  and resid  113 and name HA  ))
   (( segid PTB  and resid  113 and name HG2 ))
 OR {  732}
   (( segid PTB  and resid  114 and name HA  ))
   (( segid PTB  and resid  113 and name HG1 ))
 OR {  732}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid PTB  and resid  204 and name HG2 ))
 ASSI {  782}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HG1 ))
      2.400     0.800     0.800 peak   782 weight  0.10000E+01 volume  0.25363E+01 ppm1      4.331 ppm2      1.696
 OR {  782}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HG2 ))
 OR {  782}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid PTB  and resid  204 and name HG2 ))
 ASSI {  795}
   (( segid PTB  and resid  204 and name HB1 ))
   (( segid PTB  and resid  204 and name HG1 ))
      1.700     0.600     0.600 peak   795 weight  0.10000E+01 volume  0.21574E+02 ppm1      1.951 ppm2      1.741
 OR {  795}
   (( segid PTB  and resid  205 and name HB1 ))
   (( segid PTB  and resid  205 and name HG2 ))
 OR {  795}
   (( segid PTB  and resid  204 and name HB2 ))
   (( segid PTB  and resid  204 and name HG2 ))
 OR {  795}
   (( segid PTB  and resid  204 and name HB2 ))
   (( segid PTB  and resid  204 and name HG1 ))
 OR {  795}
   (( segid PTB  and resid  205 and name HB1 ))
   (( segid PTB  and resid  205 and name HG1 ))
 OR {  795}
   (( segid PTB  and resid  205 and name HB2 ))
   (( segid PTB  and resid  205 and name HG2 ))
 OR {  795}
   (( segid PTB  and resid  205 and name HB2 ))
   (( segid PTB  and resid  205 and name HG1 ))
 ASSI {  833}
   (( segid PTB  and resid  116 and name HA  ))
   (( segid PTB  and resid  116 and name HG2 ))
      2.500     0.900     0.900 peak   833 weight  0.10000E+01 volume  0.21837E+01 ppm1      4.516 ppm2      1.973
 OR {  833}
   (( segid PTB  and resid  116 and name HA  ))
   (( segid PTB  and resid  116 and name HG1 ))
 OR {  833}
   (( segid PTB  and resid  115 and name HA  ))
   (( segid PTB  and resid  116 and name HG2 ))
 ASSI {  970}
   (( segid PTB  and resid  115 and name HB1 ))
   (( segid PTB  and resid  116 and name HG1 ))
      2.400     2.400     2.100 peak   970 weight  0.10000E+01 volume  0.27842E+01 ppm1      1.853 ppm2      1.980
 OR {  970}
   (( segid PTB  and resid  115 and name HB1 ))
   (( segid PTB  and resid  116 and name HG2 ))
 OR {  970}
   (( segid PTB  and resid  115 and name HB2 ))
   (( segid PTB  and resid  116 and name HG1 ))
 OR {  970}
   (( segid PTB  and resid  115 and name HB2 ))
   (( segid PTB  and resid  116 and name HG2 ))
 OR {  970}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid  116 and name HG2 ))
 OR {  970}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid  116 and name HG1 ))
 ASSI { 1072}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.600     0.900     0.900 peak  1072 weight  0.10000E+01 volume  0.18519E+01 ppm1      4.019 ppm2      0.591
 OR { 1072}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1073}
   (( segid PTB  and resid  106 and name HA  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.600     0.900     0.900 peak  1073 weight  0.10000E+01 volume  0.16916E+01 ppm1      3.824 ppm2      0.484
 OR { 1073}
   (( segid PTB  and resid  109 and name HA  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 ASSI { 1081}
   (( segid PTB  and resid  138 and name HB2 ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.100     0.700     0.700 peak  1081 weight  0.10000E+01 volume  0.61909E+01 ppm1      1.691 ppm2      0.855
 OR { 1081}
   (( segid PTB  and resid  129 and name HB2 ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 ASSI { 1083}
   (( segid PTB  and resid  106 and name HG  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.500     0.900     0.900 peak  1083 weight  0.10000E+01 volume  0.23487E+01 ppm1      1.573 ppm2      0.585
 OR { 1083}
   (( segid PTB  and resid  178 and name HB2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 OR { 1083}
   (( segid PTB  and resid  178 and name HG  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1084}
   (( segid PTB  and resid  106 and name HG  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.400     0.800     0.800 peak  1084 weight  0.10000E+01 volume  0.26465E+01 ppm1      1.522 ppm2      0.588
 OR { 1084}
   (( segid PTB  and resid  178 and name HB2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 OR { 1084}
   (( segid PTB  and resid  178 and name HG  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 OR { 1084}
   (( segid PTB  and resid  106 and name HB2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1115}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.600     0.900     0.900 peak  1115 weight  0.10000E+01 volume  0.18587E+01 ppm1      1.333 ppm2      0.494
 OR { 1115}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 ASSI { 1129}
   (( segid PTB  and resid  178 and name HA  ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      2.600     0.900     0.900 peak  1129 weight  0.10000E+01 volume  0.17378E+01 ppm1      4.980 ppm2      0.827
 OR { 1129}
   (( segid PTB  and resid   84 and name HA  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1129}
   (( segid PTB  and resid   83 and name HA  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1129}
   (( segid PTB  and resid  122 and name HA  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 ASSI { 1135}
   (( segid PTB  and resid  106 and name HG  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      1.800     0.600     0.600 peak  1135 weight  0.10000E+01 volume  0.14139E+02 ppm1      1.574 ppm2      0.857
 OR { 1135}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1135}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 ASSI { 1143}
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.300     0.800     0.800 peak  1143 weight  0.10000E+01 volume  0.33096E+01 ppm1      0.896 ppm2      0.293
 OR { 1143}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
 ASSI { 1146}
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
      2.000     0.700     0.700 peak  1146 weight  0.10000E+01 volume  0.77844E+01 ppm1      0.656 ppm2      0.140
 OR { 1146}
   (( segid PTB  and resid  187 and name HB1 ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 OR { 1146}
   (( segid PTB  and resid  187 and name HB2 ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 OR { 1146}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 ASSI { 1162}
   (( segid PTB  and resid   82 and name HB1 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
      2.600     0.900     0.900 peak  1162 weight  0.10000E+01 volume  0.16993E+01 ppm1      3.036 ppm2      0.862
 OR { 1162}
   (( segid PTB  and resid  122 and name HB2 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1162}
   (( segid PTB  and resid  122 and name HB1 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1162}
   (( segid PTB  and resid  102 and name HB2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1176}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
      2.700     0.900     0.900 peak  1176 weight  0.10000E+01 volume  0.15094E+01 ppm1      0.791 ppm2      0.147
 OR { 1176}
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 OR { 1176}
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 OR { 1176}
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 OR { 1176}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 OR { 1176}
   (( segid PTB  and resid  120 and name HG  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 OR { 1176}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 ASSI { 1212}
   (( segid PTB  and resid  196 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.700     0.900     0.900 peak  1212 weight  0.10000E+01 volume  0.13420E+01 ppm1      4.187 ppm2      0.948
 OR { 1212}
   (( segid PTB  and resid  202 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI { 1213}
   (( segid PTB  and resid  199 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.600     0.900     0.900 peak  1213 weight  0.10000E+01 volume  0.15994E+01 ppm1      4.119 ppm2      0.948
 OR { 1213}
   (( segid PTB  and resid  202 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 OR { 1213}
   (( segid PTB  and resid  198 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI { 1249}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  136 and name HG1 ))
      1.800     0.600     0.600 peak  1249 weight  0.10000E+01 volume  0.15952E+02 ppm1      1.599 ppm2      1.330
 OR { 1249}
   (( segid PTB  and resid   65 and name HB2 ))
   (( segid PTB  and resid   65 and name HG2 ))
 OR { 1249}
   (( segid PTB  and resid   65 and name HD1 ))
   (( segid PTB  and resid   65 and name HG2 ))
 OR { 1249}
   (( segid PTB  and resid   65 and name HB1 ))
   (( segid PTB  and resid   65 and name HG2 ))
 OR { 1249}
   (( segid PTB  and resid   65 and name HD2 ))
   (( segid PTB  and resid   65 and name HG2 ))
 ASSI { 1266}
   (( segid PTB  and resid  181 and name HE1 ))
   (( segid PTB  and resid  181 and name HG2 ))
      2.500     0.900     0.900 peak  1266 weight  0.10000E+01 volume  0.24196E+01 ppm1      3.053 ppm2      1.393
 OR { 1266}
   (( segid PTB  and resid  136 and name HE2 ))
   (( segid PTB  and resid  136 and name HG2 ))
 OR { 1266}
   (( segid PTB  and resid  181 and name HE1 ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR { 1266}
   (( segid PTB  and resid  181 and name HE2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 1270}
   (( segid PTB  and resid  136 and name HD2 ))
   (( segid PTB  and resid  136 and name HG2 ))
      1.900     0.700     0.700 peak  1270 weight  0.10000E+01 volume  0.11059E+02 ppm1      1.747 ppm2      1.423
 OR { 1270}
   (( segid PTB  and resid  181 and name HD1 ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR { 1270}
   (( segid PTB  and resid  181 and name HD2 ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR { 1270}
   (( segid PTB  and resid  181 and name HD2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 1271}
   (( segid PTB  and resid  129 and name HB2 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.100     0.700     0.700 peak  1271 weight  0.10000E+01 volume  0.55775E+01 ppm1      1.696 ppm2      0.866
 OR { 1271}
   (( segid PTB  and resid  138 and name HB2 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 ASSI { 1308}
   (( segid PTB  and resid  187 and name HG  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.700     0.900     0.900 peak  1308 weight  0.10000E+01 volume  0.15051E+01 ppm1      1.266 ppm2      0.299
 OR { 1308}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 ASSI { 1312}
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.200     0.800     0.800 peak  1312 weight  0.10000E+01 volume  0.49498E+01 ppm1      0.700 ppm2      0.310
 OR { 1312}
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 ASSI { 1313}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.600     0.900     0.900 peak  1313 weight  0.10000E+01 volume  0.15868E+01 ppm1      0.598 ppm2      0.304
 OR { 1313}
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 OR { 1313}
   (( segid PTB  and resid  187 and name HB1 ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 OR { 1313}
   (( segid PTB  and resid  187 and name HB2 ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 ASSI { 1325}
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.400     2.400     2.100 peak  1325 weight  0.10000E+01 volume  0.28307E+01 ppm1      6.935 ppm2      0.693
 OR { 1325}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 OR { 1325}
   (( segid PTB  and resid  177 and name HE1 )
     OR 
    ( segid PTB  and resid  177 and name HE2 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 OR { 1325}
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 ASSI { 1327}
   (( segid PTB  and resid   84 and name HA  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.200     0.800     0.800 peak  1327 weight  0.10000E+01 volume  0.54455E+01 ppm1      4.974 ppm2      0.762
 OR { 1327}
   (( segid PTB  and resid   83 and name HA  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 ASSI { 1375}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.100     0.700     0.700 peak  1375 weight  0.10000E+01 volume  0.64280E+01 ppm1      0.309 ppm2      0.703
 OR { 1375}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 ASSI { 1391}
   (( segid PTB  and resid   81 and name HB1 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.400     0.800     0.800 peak  1391 weight  0.10000E+01 volume  0.29524E+01 ppm1      3.083 ppm2      0.994
 OR { 1391}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1396}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      1.900     0.700     0.700 peak  1396 weight  0.10000E+01 volume  0.12989E+02 ppm1      0.591 ppm2      1.011
 OR { 1396}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1412}
   (( segid PTB  and resid   73 and name HA  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.400     2.400     2.100 peak  1412 weight  0.10000E+01 volume  0.28829E+01 ppm1      3.891 ppm2      1.026
 OR { 1412}
   (( segid PTB  and resid   77 and name HA  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1416}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.400     2.400     2.100 peak  1416 weight  0.10000E+01 volume  0.32014E+01 ppm1      2.003 ppm2      0.953
 OR { 1416}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 OR { 1416}
   (( segid PTB  and resid  201 and name HB2 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 ASSI { 1418}
   (( segid PTB  and resid  204 and name HG2 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.300     0.800     0.800 peak  1418 weight  0.10000E+01 volume  0.36879E+01 ppm1      1.740 ppm2      0.956
 OR { 1418}
   (( segid PTB  and resid  202 and name HD1 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 OR { 1418}
   (( segid PTB  and resid  204 and name HG1 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 ASSI { 1450}
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      2.100     0.700     0.700 peak  1450 weight  0.10000E+01 volume  0.57295E+01 ppm1      1.393 ppm2      0.940
 OR { 1450}
   (( segid GPPY and resid 3    and name HG11))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 ASSI { 1477}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.700     0.900     0.900 peak  1477 weight  0.10000E+01 volume  0.13517E+01 ppm1      3.151 ppm2      0.428
 OR { 1477}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 OR { 1477}
   (( segid PTB  and resid  176 and name HA2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1484}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.300     0.800     0.800 peak  1484 weight  0.10000E+01 volume  0.32711E+01 ppm1      0.940 ppm2      0.423
 OR { 1484}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1489}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.500     0.900     0.900 peak  1489 weight  0.10000E+01 volume  0.20937E+01 ppm1      0.302 ppm2      0.631
 OR { 1489}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1504}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.500     2.500     2.000 peak  1504 weight  0.10000E+01 volume  0.20579E+01 ppm1      1.783 ppm2      0.429
 OR { 1504}
   (( segid PTB  and resid  175 and name HB1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 OR { 1504}
   (( segid PTB  and resid  115 and name HB2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 OR { 1504}
   (( segid PTB  and resid  115 and name HB1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 OR { 1504}
   (( segid PTB  and resid  115 and name HG2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1505}
   (( segid PTB  and resid  187 and name HG  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.200     2.200     2.300 peak  1505 weight  0.10000E+01 volume  0.50059E+01 ppm1      1.279 ppm2      0.622
 OR { 1505}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1524}
   (( segid PTB  and resid  108 and name HA  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.100     0.700     0.700 peak  1524 weight  0.10000E+01 volume  0.71449E+01 ppm1      3.666 ppm2      1.095
 OR { 1524}
   (( segid PTB  and resid  197 and name HA  ))
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
 ASSI { 1529}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.600     0.900     0.900 peak  1529 weight  0.10000E+01 volume  0.18537E+01 ppm1      2.426 ppm2      1.079
 OR { 1529}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 ASSI { 1532}
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.400     0.800     0.800 peak  1532 weight  0.10000E+01 volume  0.28766E+01 ppm1      2.222 ppm2      1.574
 OR { 1532}
   (( segid GPPY and resid 5    and name HB1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 ASSI { 1534}
   (( segid PTB  and resid  107 and name HB1 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.600     0.900     0.900 peak  1534 weight  0.10000E+01 volume  0.16139E+01 ppm1      1.969 ppm2      1.099
 OR { 1534}
   (( segid PTB  and resid  107 and name HB2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 OR { 1534}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 ASSI { 1537}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
      2.500     0.900     0.900 peak  1537 weight  0.10000E+01 volume  0.22523E+01 ppm1      1.557 ppm2      1.097
 OR { 1537}
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
 ASSI { 1538}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.100     2.100     2.400 peak  1538 weight  0.10000E+01 volume  0.68164E+01 ppm1      1.462 ppm2      1.574
 OR { 1538}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid  178 and name HG  ))
 OR { 1538}
   (( segid PTB  and resid  106 and name HB2 ))
   (( segid PTB  and resid  178 and name HG  ))
 ASSI { 1541}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.500     0.900     0.900 peak  1541 weight  0.10000E+01 volume  0.25227E+01 ppm1      1.339 ppm2      1.089
 OR { 1541}
   (( segid PTB  and resid  107 and name HG2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 ASSI { 1544}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.600     0.900     0.900 peak  1544 weight  0.10000E+01 volume  0.19610E+01 ppm1      0.811 ppm2      1.098
 OR { 1544}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 OR { 1544}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 ASSI { 1563}
   (( segid PTB  and resid   95 and name HG1 ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      2.400     0.800     0.800 peak  1563 weight  0.10000E+01 volume  0.31143E+01 ppm1      2.216 ppm2      0.877
 OR { 1563}
   (( segid PTB  and resid   95 and name HG2 ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 OR { 1563}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 ASSI { 1590}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.400     2.400     2.100 peak  1590 weight  0.10000E+01 volume  0.29106E+01 ppm1      1.605 ppm2      0.906
 OR { 1590}
   (( segid PTB  and resid  178 and name HB2 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 1704}
   (( segid PTB  and resid  168 and name HB  ))
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
      1.800     0.600     0.600 peak  1704 weight  0.10000E+01 volume  0.15533E+02 ppm1      4.288 ppm2      1.248
 OR { 1704}
   (( segid PTB  and resid  206 and name HB  ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 1704}
   (( segid PTB  and resid  168 and name HA  ))
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
 ASSI { 1713}
   (( segid PTB  and resid  204 and name HG2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      2.000     2.000     2.500 peak  1713 weight  0.10000E+01 volume  0.87261E+01 ppm1      1.710 ppm2      1.253
 OR { 1713}
   (( segid PTB  and resid  207 and name HG2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 1713}
   (( segid PTB  and resid  205 and name HG1 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 1713}
   (( segid PTB  and resid  207 and name HG1 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 ASSI { 1748}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.500     0.900     0.900 peak  1748 weight  0.10000E+01 volume  0.20250E+01 ppm1      4.532 ppm2      1.188
 OR { 1748}
   (( segid PTB  and resid  116 and name HA  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 ASSI { 1758}
   (( segid PTB  and resid  117 and name HB  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.100     0.700     0.700 peak  1758 weight  0.10000E+01 volume  0.57211E+01 ppm1      2.184 ppm2      1.166
 OR { 1758}
   (( segid PTB  and resid  173 and name HG1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 ASSI { 1767}
   (( segid GPPY and resid 7    and name HB2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      2.400     2.400     2.100 peak  1767 weight  0.10000E+01 volume  0.25559E+01 ppm1      1.479 ppm2      1.241
 OR { 1767}
   (( segid GPPY and resid 7    and name HB1 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 1767}
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 1767}
   (( segid PTB  and resid  136 and name HG2 ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
 ASSI { 1768}
   (( segid PTB  and resid  170 and name HG1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.400     0.800     0.800 peak  1768 weight  0.10000E+01 volume  0.25727E+01 ppm1      1.445 ppm2      1.188
 OR { 1768}
   (( segid PTB  and resid  170 and name HG2 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 OR { 1768}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 ASSI { 1796}
   (( segid PTB  and resid  112 and name HB1 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.700     0.900     0.900 peak  1796 weight  0.10000E+01 volume  0.13877E+01 ppm1      4.057 ppm2      0.955
 OR { 1796}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 ASSI { 1801}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.000     0.700     0.700 peak  1801 weight  0.10000E+01 volume  0.75608E+01 ppm1      1.929 ppm2      0.915
 OR { 1801}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 ASSI { 1802}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.700     0.900     0.900 peak  1802 weight  0.10000E+01 volume  0.15012E+01 ppm1      1.794 ppm2      1.180
 OR { 1802}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 OR { 1802}
   (( segid PTB  and resid  118 and name HB1 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 ASSI { 1805}
   (( segid PTB  and resid  129 and name HB2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.600     0.900     0.900 peak  1805 weight  0.10000E+01 volume  0.17755E+01 ppm1      1.691 ppm2      0.917
 OR { 1805}
   (( segid PTB  and resid  129 and name HB1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1805}
   (( segid PTB  and resid  136 and name HD2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1805}
   (( segid PTB  and resid  107 and name HD1 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1805}
   (( segid PTB  and resid  114 and name HB2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1805}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1805}
   (( segid PTB  and resid  138 and name HB2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 ASSI { 1806}
   (( segid PTB  and resid  129 and name HB2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.500     2.500     2.000 peak  1806 weight  0.10000E+01 volume  0.20448E+01 ppm1      1.623 ppm2      0.929
 OR { 1806}
   (( segid PTB  and resid  129 and name HB1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1806}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1806}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 ASSI { 1807}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.500     0.900     0.900 peak  1807 weight  0.10000E+01 volume  0.20255E+01 ppm1      1.579 ppm2      0.926
 OR { 1807}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1807}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1807}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 ASSI { 1808}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.200     0.800     0.800 peak  1808 weight  0.10000E+01 volume  0.47469E+01 ppm1      1.564 ppm2      0.614
 OR { 1808}
   (( segid PTB  and resid  178 and name HB2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 OR { 1808}
   (( segid PTB  and resid  178 and name HG  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1809}
   (( segid PTB  and resid   90 and name HB1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.600     2.600     1.900 peak  1809 weight  0.10000E+01 volume  0.17553E+01 ppm1      1.529 ppm2      1.181
 OR { 1809}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 OR { 1809}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 OR { 1809}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 OR { 1809}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 ASSI { 1844}
   (( segid PTB  and resid  175 and name HE1 ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.500     0.900     0.900 peak  1844 weight  0.10000E+01 volume  0.22515E+01 ppm1      6.637 ppm2      0.604
 OR { 1844}
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 ASSI { 1849}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.300     0.800     0.800 peak  1849 weight  0.10000E+01 volume  0.36827E+01 ppm1      4.488 ppm2      1.053
 OR { 1849}
   (( segid PTB  and resid   80 and name HA  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
 ASSI { 1875}
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.500     0.900     0.900 peak  1875 weight  0.10000E+01 volume  0.21848E+01 ppm1      1.359 ppm2      1.054
 OR { 1875}
   (( segid PTB  and resid  139 and name HG12))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
 ASSI { 1881}
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      1.900     0.700     0.700 peak  1881 weight  0.10000E+01 volume  0.11275E+02 ppm1      0.829 ppm2      0.602
 OR { 1881}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 ASSI { 1913}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.500     2.500     2.000 peak  1913 weight  0.10000E+01 volume  0.20362E+01 ppm1      2.098 ppm2      0.822
 OR { 1913}
   (( segid PTB  and resid  104 and name HB2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1913}
   (( segid PTB  and resid  100 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1915}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.500     2.500     2.000 peak  1915 weight  0.10000E+01 volume  0.22926E+01 ppm1      1.756 ppm2      0.819
 OR { 1915}
   (( segid PTB  and resid  163 and name HG11))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1915}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1915}
   (( segid PTB  and resid  163 and name HG12))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1915}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 OR { 1915}
   (( segid PTB  and resid  106 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1916}
   (( segid PTB  and resid   95 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.300     0.800     0.800 peak  1916 weight  0.10000E+01 volume  0.36225E+01 ppm1      1.672 ppm2      0.827
 OR { 1916}
   (( segid PTB  and resid  163 and name HB  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1937}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.400     0.800     0.800 peak  1937 weight  0.10000E+01 volume  0.28175E+01 ppm1      8.381 ppm2      0.804
 OR { 1937}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 ASSI { 1939}
   (( segid PTB  and resid  142 and name HA  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.400     2.400     2.100 peak  1939 weight  0.10000E+01 volume  0.27615E+01 ppm1      4.410 ppm2      0.802
 OR { 1939}
   (( segid PTB  and resid   93 and name HA  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1939}
   (( segid PTB  and resid  169 and name HA  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 1942}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      1.800     0.600     0.600 peak  1942 weight  0.10000E+01 volume  0.14435E+02 ppm1      1.958 ppm2      0.816
 OR { 1942}
   (( segid PTB  and resid  101 and name HB  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1944}
   (( segid PTB  and resid   95 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.300     0.800     0.800 peak  1944 weight  0.10000E+01 volume  0.37594E+01 ppm1      1.645 ppm2      0.820
 OR { 1944}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 1985}
   (( segid PTB  and resid  138 and name HA  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      2.700     0.900     0.900 peak  1985 weight  0.10000E+01 volume  0.15780E+01 ppm1      4.531 ppm2      0.818
 OR { 1985}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
 ASSI { 1986}
   (( segid PTB  and resid  140 and name HA  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.100     0.700     0.700 peak  1986 weight  0.10000E+01 volume  0.65541E+01 ppm1      4.118 ppm2      0.811
 OR { 1986}
   (( segid PTB  and resid  136 and name HA  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
 ASSI { 1995}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      1.900     1.900     2.600 peak  1995 weight  0.10000E+01 volume  0.10673E+02 ppm1      1.009 ppm2      0.588
 OR { 1995}
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI { 2036}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.600     2.600     1.900 peak  2036 weight  0.10000E+01 volume  0.15933E+01 ppm1      1.563 ppm2      0.941
 OR { 2036}
   (( segid PTB  and resid   90 and name HB1 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 OR { 2036}
   (( segid PTB  and resid  114 and name HG2 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 ASSI { 2042}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.000     0.700     0.700 peak  2042 weight  0.10000E+01 volume  0.93048E+01 ppm1      0.897 ppm2      0.638
 OR { 2042}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI { 2107}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.700     2.700     1.800 peak  2107 weight  0.10000E+01 volume  0.15809E+01 ppm1      0.965 ppm2      0.699
 OR { 2107}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
 ASSI { 2283}
   (( segid PTB  and resid  209 and name HA  ))
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
      2.100     0.700     0.700 peak  2283 weight  0.10000E+01 volume  0.62618E+01 ppm1      4.321 ppm2      1.443
 OR { 2283}
   (( segid PTB  and resid  208 and name HA  ))
   (( segid PTB  and resid  208 and name HB1 )
     OR 
    ( segid PTB  and resid  208 and name HB3 )
     OR 
    ( segid PTB  and resid  208 and name HB2 ))
 ASSI { 2289}
   (( segid PTB  and resid  145 and name HA  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.500     0.900     0.900 peak  2289 weight  0.10000E+01 volume  0.20382E+01 ppm1      3.959 ppm2      1.188
 OR { 2289}
   (( segid PTB  and resid  144 and name HA  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 OR { 2289}
   (( segid PTB  and resid  125 and name HA2 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2313}
   (( segid PTB  and resid  145 and name HB1 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.600     2.600     1.900 peak  2313 weight  0.10000E+01 volume  0.16283E+01 ppm1      2.131 ppm2      1.188
 OR { 2313}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2315}
   (( segid PTB  and resid  207 and name HB1 ))
   (( segid PTB  and resid  208 and name HB1 )
     OR 
    ( segid PTB  and resid  208 and name HB3 )
     OR 
    ( segid PTB  and resid  208 and name HB2 ))
      2.400     0.800     0.800 peak  2315 weight  0.10000E+01 volume  0.26832E+01 ppm1      1.894 ppm2      1.436
 OR { 2315}
   (( segid PTB  and resid  207 and name HB2 ))
   (( segid PTB  and resid  208 and name HB1 )
     OR 
    ( segid PTB  and resid  208 and name HB3 )
     OR 
    ( segid PTB  and resid  208 and name HB2 ))
 OR { 2315}
   (( segid PTB  and resid  207 and name HB1 ))
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
 OR { 2315}
   (( segid PTB  and resid  207 and name HB2 ))
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
 ASSI { 2316}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.500     0.900     0.900 peak  2316 weight  0.10000E+01 volume  0.24977E+01 ppm1      1.842 ppm2      1.617
 OR { 2316}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 OR { 2316}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 ASSI { 2414}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.000     0.700     0.700 peak  2414 weight  0.10000E+01 volume  0.95727E+01 ppm1      0.826 ppm2      0.694
 OR { 2414}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 ASSI { 2415}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      1.900     0.700     0.700 peak  2415 weight  0.10000E+01 volume  0.12088E+02 ppm1      0.812 ppm2      1.339
 OR { 2415}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2434}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid   76 and name HA  ))
      2.400     0.800     0.800 peak  2434 weight  0.10000E+01 volume  0.26506E+01 ppm1      0.587 ppm2      3.729
 OR { 2434}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid   76 and name HA  ))
 ASSI { 2452}
   (( segid PTB  and resid  175 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.600     2.600     1.900 peak  2452 weight  0.10000E+01 volume  0.15991E+01 ppm1      2.619 ppm2      0.995
 OR { 2452}
   (( segid PTB  and resid  162 and name HB1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 2452}
   (( segid PTB  and resid  172 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 2452}
   (( segid PTB  and resid  172 and name HB1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2463}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  191 and name HA  ))
      2.500     0.900     0.900 peak  2463 weight  0.10000E+01 volume  0.22872E+01 ppm1      0.621 ppm2      2.992
 OR { 2463}
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
   (( segid PTB  and resid  191 and name HA  ))
 ASSI { 2485}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid  197 and name HA  ))
      2.700     0.900     0.900 peak  2485 weight  0.10000E+01 volume  0.15103E+01 ppm1      2.218 ppm2      3.649
 OR { 2485}
   (( segid PTB  and resid  111 and name HB1 ))
   (( segid PTB  and resid  108 and name HA  ))
 ASSI { 2489}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.200     2.200     2.300 peak  2489 weight  0.10000E+01 volume  0.43050E+01 ppm1      1.339 ppm2      0.989
 OR { 2489}
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2491}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid  197 and name HA  ))
      1.900     0.700     0.700 peak  2491 weight  0.10000E+01 volume  0.10115E+02 ppm1      1.031 ppm2      3.650
 OR { 2491}
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
   (( segid PTB  and resid  108 and name HA  ))
 OR { 2491}
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
   (( segid PTB  and resid  197 and name HA  ))
 ASSI { 2494}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.600     0.900     0.900 peak  2494 weight  0.10000E+01 volume  0.18879E+01 ppm1      0.781 ppm2      0.976
 OR { 2494}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2510}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid  108 and name HA  ))
      2.400     0.800     0.800 peak  2510 weight  0.10000E+01 volume  0.29888E+01 ppm1      2.295 ppm2      3.665
 OR { 2510}
   (( segid PTB  and resid  200 and name HB2 ))
   (( segid PTB  and resid  197 and name HA  ))
 ASSI { 2547}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.700     2.700     1.800 peak  2547 weight  0.10000E+01 volume  0.13264E+01 ppm1      5.024 ppm2      0.950
 OR { 2547}
   (( segid PTB  and resid   83 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 ASSI { 2621}
   (( segid PTB  and resid   70 and name HB2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      2.600     2.600     1.900 peak  2621 weight  0.10000E+01 volume  0.16389E+01 ppm1      2.090 ppm2      1.482
 OR { 2621}
   (( segid PTB  and resid   74 and name HB2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
 OR { 2621}
   (( segid PTB  and resid   74 and name HB1 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
 OR { 2621}
   (( segid PTB  and resid   68 and name HG2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
 ASSI { 2653}
   (( segid PTB  and resid  194 and name HA  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.100     0.700     0.700 peak  2653 weight  0.10000E+01 volume  0.62677E+01 ppm1      3.607 ppm2      1.276
 OR { 2653}
   (( segid PTB  and resid  125 and name HA1 ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI { 2655}
   (( segid PTB  and resid   81 and name HB1 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.700     0.900     0.900 peak  2655 weight  0.10000E+01 volume  0.15162E+01 ppm1      3.057 ppm2      1.488
 OR { 2655}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 ASSI { 2661}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.700     0.900     0.900 peak  2661 weight  0.10000E+01 volume  0.14166E+01 ppm1      2.151 ppm2      1.282
 OR { 2661}
   (( segid PTB  and resid  191 and name HB  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI { 2664}
   (( segid PTB  and resid  128 and name HG  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.600     2.600     1.900 peak  2664 weight  0.10000E+01 volume  0.18141E+01 ppm1      1.529 ppm2      1.291
 OR { 2664}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 OR { 2664}
   (( segid PTB  and resid  128 and name HB2 ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI { 2674}
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.700     0.900     0.900 peak  2674 weight  0.10000E+01 volume  0.15386E+01 ppm1      0.705 ppm2      1.272
 OR { 2674}
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI { 2675}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.400     0.800     0.800 peak  2675 weight  0.10000E+01 volume  0.31551E+01 ppm1      0.610 ppm2      1.478
 OR { 2675}
   (( segid PTB  and resid  187 and name HB1 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 OR { 2675}
   (( segid PTB  and resid  187 and name HB2 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 ASSI { 2802}
   (( segid PTB  and resid  103 and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.600     0.900     0.900 peak  2802 weight  0.10000E+01 volume  0.17179E+01 ppm1      1.990 ppm2      2.215
 OR { 2802}
   (( segid PTB  and resid  103 and name HB1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 OR { 2802}
   (( segid GPPY and resid 5    and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 2891}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.700     2.700     1.800 peak  2891 weight  0.10000E+01 volume  0.15244E+01 ppm1      1.924 ppm2      1.793
 OR { 2891}
   (( segid PTB  and resid  170 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 OR { 2891}
   (( segid PTB  and resid  170 and name HB1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 3031}
   (( segid PTB  and resid   64 and name HA  ))
   (( segid PTB  and resid   64 and name HB1 ))
      1.800     0.600     0.600 peak  3031 weight  0.10000E+01 volume  0.15663E+02 ppm1      4.475 ppm2      3.881
 OR { 3031}
   (( segid PTB  and resid   64 and name HA  ))
   (( segid PTB  and resid   64 and name HB2 ))
 OR { 3031}
   (( segid PTB  and resid   78 and name HA  ))
   (( segid PTB  and resid   78 and name HB1 ))
 ASSI { 3070}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  102 and name HA  ))
      2.500     2.500     2.000 peak  3070 weight  0.10000E+01 volume  0.21964E+01 ppm1      4.057 ppm2      4.218
 OR { 3070}
   (( segid PTB  and resid   99 and name HA  ))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 3070}
   (( segid PTB  and resid  104 and name HA  ))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI { 3389}
   (( segid PTB  and resid  139 and name HA  ))
   (( segid PTB  and resid  140 and name HA  ))
      2.400     2.400     2.100 peak  3389 weight  0.10000E+01 volume  0.29551E+01 ppm1      4.284 ppm2      4.121
 OR { 3389}
   (( segid PTB  and resid  168 and name HB  ))
   (( segid PTB  and resid  140 and name HA  ))
 ASSI { 3396}
   (( segid PTB  and resid  118 and name HB1 ))
   (( segid PTB  and resid  117 and name HA  ))
      2.700     2.700     1.800 peak  3396 weight  0.10000E+01 volume  0.13589E+01 ppm1      1.854 ppm2      4.330
 OR { 3396}
   (( segid PTB  and resid  115 and name HB1 ))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 3396}
   (( segid PTB  and resid  115 and name HB2 ))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 3396}
   (( segid PTB  and resid  121 and name HB2 ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 3432}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  139 and name HA  ))
      2.400     0.800     0.800 peak  3432 weight  0.10000E+01 volume  0.26613E+01 ppm1      1.776 ppm2      4.280
 OR { 3432}
   (( segid PTB  and resid  123 and name HB  ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 3436}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  117 and name HA  ))
      2.200     0.800     0.800 peak  3436 weight  0.10000E+01 volume  0.54854E+01 ppm1      0.991 ppm2      4.282
 OR { 3436}
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
   (( segid PTB  and resid  139 and name HA  ))
 ASSI { 3481}
   (( segid PTB  and resid  125 and name HA2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      2.400     0.800     0.800 peak  3481 weight  0.10000E+01 volume  0.31552E+01 ppm1      3.948 ppm2      0.889
 OR { 3481}
   (( segid PTB  and resid  144 and name HA  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 3523}
   (( segid PTB  and resid  128 and name HG  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      2.600     0.900     0.900 peak  3523 weight  0.10000E+01 volume  0.18949E+01 ppm1      1.575 ppm2      0.883
 OR { 3523}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 OR { 3523}
   (( segid PTB  and resid  128 and name HB2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 OR { 3523}
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 OR { 3523}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 3561}
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      1.500     0.500     0.700 peak  3561 weight  0.10000E+01 volume  0.45703E+02 ppm1      1.164 ppm2      0.885
 OR { 3561}
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 ASSI { 3590}
   (( segid PTB  and resid  139 and name HA  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.400     2.400     2.100 peak  3590 weight  0.10000E+01 volume  0.26282E+01 ppm1      4.288 ppm2      0.879
 OR { 3590}
   (( segid PTB  and resid  117 and name HA  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 ASSI { 3598}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  130 and name HA  ))
      2.400     0.800     0.800 peak  3598 weight  0.10000E+01 volume  0.28729E+01 ppm1      0.907 ppm2      5.370
 OR { 3598}
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
   (( segid PTB  and resid  130 and name HA  ))
 ASSI { 3637}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
      2.400     0.800     0.800 peak  3637 weight  0.10000E+01 volume  0.25824E+01 ppm1      9.194 ppm2      5.470
 OR { 3637}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
 ASSI { 3661}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid   77 and name HA  ))
      2.500     2.500     2.000 peak  3661 weight  0.10000E+01 volume  0.20996E+01 ppm1      2.164 ppm2      3.903
 OR { 3661}
   (( segid PTB  and resid   74 and name HB2 ))
   (( segid PTB  and resid   73 and name HA  ))
 OR { 3661}
   (( segid PTB  and resid   74 and name HB1 ))
   (( segid PTB  and resid   73 and name HA  ))
 OR { 3661}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid   73 and name HA  ))
 OR { 3661}
   (( segid PTB  and resid  111 and name HB2 ))
   (( segid PTB  and resid  107 and name HA  ))
 OR { 3661}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  107 and name HA  ))
 OR { 3661}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid   77 and name HA  ))
 ASSI { 3662}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   73 and name HA  ))
      2.500     2.500     2.000 peak  3662 weight  0.10000E+01 volume  0.22973E+01 ppm1      2.123 ppm2      3.878
 OR { 3662}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   77 and name HA  ))
 OR { 3662}
   (( segid PTB  and resid   74 and name HB2 ))
   (( segid PTB  and resid   73 and name HA  ))
 OR { 3662}
   (( segid PTB  and resid   74 and name HB1 ))
   (( segid PTB  and resid   73 and name HA  ))
 ASSI { 3670}
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
   (( segid PTB  and resid   77 and name HA  ))
      2.500     2.500     2.000 peak  3670 weight  0.10000E+01 volume  0.24373E+01 ppm1      1.630 ppm2      3.872
 OR { 3670}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  107 and name HA  ))
 ASSI { 3677}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid   77 and name HA  ))
      2.700     0.900     0.900 peak  3677 weight  0.10000E+01 volume  0.13546E+01 ppm1      0.578 ppm2      3.845
 OR { 3677}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid   73 and name HA  ))
 ASSI { 3792}
   (( segid PTB  and resid  185 and name HG2 ))
   (( segid PTB  and resid  185 and name HA  ))
      2.700     0.900     0.900 peak  3792 weight  0.10000E+01 volume  0.14883E+01 ppm1      2.505 ppm2      3.901
 OR { 3792}
   (( segid PTB  and resid  103 and name HG1 ))
   (( segid PTB  and resid  103 and name HA  ))
 OR { 3792}
   (( segid PTB  and resid  185 and name HG1 ))
   (( segid PTB  and resid  185 and name HA  ))
 ASSI { 3874}
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
   (( segid PTB  and resid  110 and name HA  ))
      2.600     0.900     0.900 peak  3874 weight  0.10000E+01 volume  0.16411E+01 ppm1      0.589 ppm2      4.004
 OR { 3874}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid   74 and name HA  ))
 OR { 3874}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid  110 and name HA  ))
 ASSI { 3894}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   91 and name HA  ))
      2.600     0.900     0.900 peak  3894 weight  0.10000E+01 volume  0.17964E+01 ppm1      8.371 ppm2      4.406
 OR { 3894}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HA  ))
 ASSI { 3919}
   (( segid PTB  and resid   74 and name HG2 ))
   (( segid PTB  and resid   74 and name HA  ))
      2.400     0.800     0.800 peak  3919 weight  0.10000E+01 volume  0.30234E+01 ppm1      2.371 ppm2      4.013
 OR { 3919}
   (( segid PTB  and resid  104 and name HG1 ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI { 3921}
   (( segid PTB  and resid   74 and name HG1 ))
   (( segid PTB  and resid   74 and name HA  ))
      2.300     0.800     0.800 peak  3921 weight  0.10000E+01 volume  0.37507E+01 ppm1      2.301 ppm2      3.999
 OR { 3921}
   (( segid PTB  and resid  145 and name HG2 ))
   (( segid PTB  and resid  145 and name HA  ))
 ASSI { 3924}
   (( segid PTB  and resid  104 and name HB2 ))
   (( segid PTB  and resid  104 and name HA  ))
      2.000     0.700     0.700 peak  3924 weight  0.10000E+01 volume  0.88828E+01 ppm1      2.116 ppm2      4.015
 OR { 3924}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  104 and name HA  ))
 OR { 3924}
   (( segid PTB  and resid   74 and name HB1 ))
   (( segid PTB  and resid   74 and name HA  ))
 ASSI { 3925}
   (( segid PTB  and resid   70 and name HB2 ))
   (( segid PTB  and resid   70 and name HA  ))
      2.000     0.700     0.700 peak  3925 weight  0.10000E+01 volume  0.91094E+01 ppm1      2.105 ppm2      4.166
 OR { 3925}
   (( segid PTB  and resid  100 and name HB1 ))
   (( segid PTB  and resid  100 and name HA  ))
 ASSI { 3927}
   (( segid PTB  and resid  107 and name HB1 ))
   (( segid PTB  and resid  104 and name HA  ))
      2.100     0.700     0.700 peak  3927 weight  0.10000E+01 volume  0.57911E+01 ppm1      1.960 ppm2      4.032
 OR { 3927}
   (( segid PTB  and resid  107 and name HB2 ))
   (( segid PTB  and resid  104 and name HA  ))
 OR { 3927}
   (( segid PTB  and resid  103 and name HB1 ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI { 3930}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid   91 and name HA  ))
      2.300     0.800     0.800 peak  3930 weight  0.10000E+01 volume  0.38280E+01 ppm1      0.932 ppm2      4.415
 OR { 3930}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid   91 and name HA  ))
 ASSI { 3947}
   (( segid PTB  and resid  201 and name HB1 ))
   (( segid PTB  and resid  201 and name HA  ))
      2.100     0.700     0.700 peak  3947 weight  0.10000E+01 volume  0.58205E+01 ppm1      2.018 ppm2      4.151
 OR { 3947}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  202 and name HA  ))
 OR { 3947}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  202 and name HA  ))
 OR { 3947}
   (( segid PTB  and resid  201 and name HB2 ))
   (( segid PTB  and resid  201 and name HA  ))
 OR { 3947}
   (( segid PTB  and resid  103 and name HB2 ))
   (( segid PTB  and resid  100 and name HA  ))
 ASSI { 4050}
   (( segid PTB  and resid   64 and name HB1 ))
   (( segid PTB  and resid   64 and name HA  ))
      2.100     0.700     0.700 peak  4050 weight  0.10000E+01 volume  0.70565E+01 ppm1      3.933 ppm2      4.447
 OR { 4050}
   (( segid PTB  and resid   78 and name HB2 ))
   (( segid PTB  and resid   78 and name HA  ))
 OR { 4050}
   (( segid PTB  and resid   64 and name HB2 ))
   (( segid PTB  and resid   64 and name HA  ))
 ASSI { 4064}
   (( segid PTB  and resid  154 and name HG2 ))
   (( segid PTB  and resid  154 and name HA  ))
      2.200     0.800     0.800 peak  4064 weight  0.10000E+01 volume  0.43797E+01 ppm1      1.831 ppm2      4.115
 OR { 4064}
   (( segid PTB  and resid  154 and name HB1 ))
   (( segid PTB  and resid  154 and name HA  ))
 OR { 4064}
   (( segid PTB  and resid  154 and name HB2 ))
   (( segid PTB  and resid  154 and name HA  ))
 OR { 4064}
   (( segid PTB  and resid  199 and name HG  ))
   (( segid PTB  and resid  199 and name HA  ))
 ASSI { 4185}
   (( segid PTB  and resid  112 and name HB1 ))
   (( segid PTB  and resid  109 and name HA  ))
      2.600     0.900     0.900 peak  4185 weight  0.10000E+01 volume  0.16937E+01 ppm1      4.036 ppm2      3.857
 OR { 4185}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid  109 and name HA  ))
 ASSI { 4338}
   (( segid PTB  and resid  204 and name HG2 ))
   (( segid PTB  and resid  204 and name HA  ))
      2.700     0.900     0.900 peak  4338 weight  0.10000E+01 volume  0.13976E+01 ppm1      1.697 ppm2      4.268
 OR { 4338}
   (( segid PTB  and resid  199 and name HB2 ))
   (( segid PTB  and resid  203 and name HA  ))
 ASSI { 4407}
   (( segid PTB  and resid   83 and name HB1 ))
   (( segid PTB  and resid   82 and name HA  ))
      2.700     2.700     1.800 peak  4407 weight  0.10000E+01 volume  0.13561E+01 ppm1      2.916 ppm2      5.473
 OR { 4407}
   (( segid PTB  and resid   87 and name HB1 ))
   (( segid PTB  and resid  177 and name HA  ))
 ASSI { 4408}
   (( segid PTB  and resid  157 and name HB2 ))
   (( segid PTB  and resid  156 and name HA  ))
      2.500     2.500     2.000 peak  4408 weight  0.10000E+01 volume  0.20055E+01 ppm1      2.810 ppm2      4.591
 OR { 4408}
   (( segid PTB  and resid  155 and name HB1 ))
   (( segid PTB  and resid  156 and name HA  ))
 ASSI { 4625}
   (( segid PTB  and resid  207 and name HG1 ))
   (( segid PTB  and resid  207 and name HA  ))
      2.300     0.800     0.800 peak  4625 weight  0.10000E+01 volume  0.36289E+01 ppm1      1.695 ppm2      4.302
 OR { 4625}
   (( segid PTB  and resid  207 and name HG2 ))
   (( segid PTB  and resid  207 and name HA  ))
 OR { 4625}
   (( segid PTB  and resid  113 and name HG1 ))
   (( segid PTB  and resid  113 and name HA  ))
 ASSI { 4648}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HA  ))
      2.700     0.900     0.900 peak  4648 weight  0.10000E+01 volume  0.15200E+01 ppm1      9.164 ppm2      5.520
 OR { 4648}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  174 and name HA  ))
 ASSI { 4810}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid  194 and name HA  ))
      2.500     2.500     2.000 peak  4810 weight  0.10000E+01 volume  0.20190E+01 ppm1      2.170 ppm2      3.616
 OR { 4810}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid  194 and name HA  ))
 ASSI { 4818}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid  194 and name HA  ))
      2.300     0.800     0.800 peak  4818 weight  0.10000E+01 volume  0.34216E+01 ppm1      0.589 ppm2      3.609
 OR { 4818}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  194 and name HA  ))
 ASSI { 4883}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid   86 and name HA  ))
      2.400     0.800     0.800 peak  4883 weight  0.10000E+01 volume  0.26060E+01 ppm1      1.849 ppm2      4.995
 OR { 4883}
   (( segid PTB  and resid  118 and name HB1 ))
   (( segid PTB  and resid  118 and name HA  ))
 ASSI {   99}
   (( segid PTB  and resid  113 and name HA  ))
   (( segid PTB  and resid  114 and name HB2 ))
      2.900     1.700     1.700 peak    99 weight  0.10000E+01 volume  0.12709E+01 ppm1      4.305 ppm2      1.715
 OR {   99}
   (( segid PTB  and resid  112 and name HA  ))
   (( segid PTB  and resid  114 and name HB2 ))
 OR {   99}
   (( segid PTB  and resid  113 and name HA  ))
   (( segid PTB  and resid  114 and name HB1 ))
 ASSI {  131}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HB2 ))
      2.400     1.200     1.200 peak   131 weight  0.10000E+01 volume  0.41872E+01 ppm1      4.337 ppm2      1.925
 OR {  131}
   (( segid PTB  and resid  207 and name HA  ))
   (( segid PTB  and resid  207 and name HB1 ))
 OR {  131}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HB1 ))
 OR {  131}
   (( segid PTB  and resid  207 and name HA  ))
   (( segid PTB  and resid  207 and name HB2 ))
 ASSI {  135}
   (( segid PTB  and resid  205 and name HD1 ))
   (( segid PTB  and resid  205 and name HB2 ))
      2.300     1.100     1.100 peak   135 weight  0.10000E+01 volume  0.55344E+01 ppm1      3.247 ppm2      1.883
 OR {  135}
   (( segid PTB  and resid  207 and name HD2 ))
   (( segid PTB  and resid  207 and name HB1 ))
 OR {  135}
   (( segid PTB  and resid  207 and name HD2 ))
   (( segid PTB  and resid  207 and name HB2 ))
 OR {  135}
   (( segid PTB  and resid  205 and name HD2 ))
   (( segid PTB  and resid  205 and name HB2 ))
 OR {  135}
   (( segid PTB  and resid  207 and name HD1 ))
   (( segid PTB  and resid  207 and name HB1 ))
 OR {  135}
   (( segid PTB  and resid  205 and name HD1 ))
   (( segid PTB  and resid  205 and name HB1 ))
 ASSI {  195}
   (( segid PTB  and resid  203 and name HB2 ))
   (( segid PTB  and resid  205 and name HB2 ))
      2.900     1.700     1.700 peak   195 weight  0.10000E+01 volume  0.12923E+01 ppm1      2.146 ppm2      1.963
 OR {  195}
   (( segid PTB  and resid  203 and name HB2 ))
   (( segid PTB  and resid  204 and name HB2 ))
 OR {  195}
   (( segid PTB  and resid  203 and name HB2 ))
   (( segid PTB  and resid  204 and name HB1 ))
 OR {  195}
   (( segid PTB  and resid  203 and name HB1 ))
   (( segid PTB  and resid  204 and name HB2 ))
 OR {  195}
   (( segid PTB  and resid  203 and name HB1 ))
   (( segid PTB  and resid  204 and name HB1 ))
 OR {  195}
   (( segid PTB  and resid  203 and name HB1 ))
   (( segid PTB  and resid  205 and name HB2 ))
 ASSI {  247}
   (( segid PTB  and resid  108 and name HA  ))
   (( segid PTB  and resid  110 and name HB1 ))
      2.900     1.700     1.700 peak   247 weight  0.10000E+01 volume  0.13957E+01 ppm1      3.643 ppm2      1.838
 OR {  247}
   (( segid PTB  and resid  108 and name HA  ))
   (( segid PTB  and resid  110 and name HB2 ))
 OR {  247}
   (( segid PTB  and resid  197 and name HA  ))
   (( segid PTB  and resid   77 and name HB2 ))
 OR {  247}
   (( segid PTB  and resid  159 and name HA2 ))
   (( segid PTB  and resid  154 and name HB2 ))
 OR {  247}
   (( segid PTB  and resid  125 and name HA1 ))
   (( segid PTB  and resid   77 and name HB2 ))
 OR {  247}
   (( segid PTB  and resid  159 and name HA2 ))
   (( segid PTB  and resid  154 and name HB1 ))
 ASSI {  258}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  115 and name HB1 ))
      2.900     1.700     1.700 peak   258 weight  0.10000E+01 volume  0.13333E+01 ppm1      1.044 ppm2      1.798
 OR {  258}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  115 and name HB2 ))
 OR {  258}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  115 and name HG1 ))
 OR {  258}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  115 and name HG2 ))
 OR {  258}
   (( segid PTB  and resid   88 and name HG  ))
   (( segid PTB  and resid  115 and name HB1 ))
 OR {  258}
   (( segid PTB  and resid   88 and name HG  ))
   (( segid PTB  and resid  115 and name HB2 ))
 OR {  258}
   (( segid PTB  and resid   88 and name HG  ))
   (( segid PTB  and resid  115 and name HG2 ))
 OR {  258}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  115 and name HB2 ))
 OR {  258}
   (( segid PTB  and resid   88 and name HG  ))
   (( segid PTB  and resid  115 and name HG1 ))
 OR {  258}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  115 and name HG2 ))
 ASSI {  270}
   (( segid PTB  and resid  133 and name HA  ))
   (( segid PTB  and resid  134 and name HB1 ))
      2.900     1.700     1.700 peak   270 weight  0.10000E+01 volume  0.13769E+01 ppm1      4.526 ppm2      2.290
 OR {  270}
   (( segid PTB  and resid  133 and name HA  ))
   (( segid PTB  and resid  134 and name HB2 ))
 OR {  270}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  134 and name HB1 ))
 OR {  270}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  134 and name HB2 ))
 ASSI {  287}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid   86 and name HD2 ))
      2.900     1.700     1.700 peak   287 weight  0.10000E+01 volume  0.12431E+01 ppm1      0.584 ppm2      1.639
 OR {  287}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid   86 and name HD1 ))
 OR {  287}
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
   (( segid PTB  and resid   86 and name HD2 ))
 OR {  287}
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
   (( segid PTB  and resid   86 and name HD1 ))
 OR {  287}
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
   (( segid PTB  and resid   86 and name HD2 ))
 ASSI {  297}
   (( segid PTB  and resid  197 and name HA  ))
   (( segid PTB  and resid  200 and name HB1 ))
      2.900     1.700     1.700 peak   297 weight  0.10000E+01 volume  0.12677E+01 ppm1      3.640 ppm2      2.141
 OR {  297}
   (( segid PTB  and resid  150 and name HB2 ))
   (( segid PTB  and resid  191 and name HB  ))
 OR {  297}
   (( segid PTB  and resid  159 and name HA2 ))
   (( segid PTB  and resid  157 and name HB1 ))
 ASSI {  332}
   (( segid PTB  and resid   96 and name HB2 ))
   (( segid PTB  and resid  172 and name HB2 ))
      3.000     1.800     1.800 peak   332 weight  0.10000E+01 volume  0.12345E+01 ppm1      1.470 ppm2      2.620
 OR {  332}
   (( segid PTB  and resid  171 and name HG1 ))
   (( segid PTB  and resid  172 and name HB1 ))
 ASSI {  358}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  202 and name HD2 ))
      2.800     1.600     1.600 peak   358 weight  0.10000E+01 volume  0.17740E+01 ppm1      4.111 ppm2      1.730
 OR {  358}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  358}
   (( segid PTB  and resid  200 and name HA  ))
   (( segid PTB  and resid  202 and name HD2 ))
 OR {  358}
   (( segid PTB  and resid  200 and name HA  ))
   (( segid PTB  and resid  202 and name HD1 ))
 ASSI {  369}
   (( segid PTB  and resid  111 and name HB2 ))
   (( segid PTB  and resid  107 and name HD1 ))
      2.800     1.600     1.600 peak   369 weight  0.10000E+01 volume  0.18880E+01 ppm1      2.137 ppm2      1.708
 OR {  369}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  107 and name HD1 ))
 ASSI {  401}
   (( segid PTB  and resid   78 and name HB1 ))
   (( segid PTB  and resid   74 and name HB2 ))
      2.900     1.700     1.700 peak   401 weight  0.10000E+01 volume  0.14644E+01 ppm1      3.893 ppm2      2.138
 OR {  401}
   (( segid PTB  and resid   78 and name HB1 ))
   (( segid PTB  and resid   74 and name HB1 ))
 OR {  401}
   (( segid PTB  and resid   73 and name HA  ))
   (( segid PTB  and resid   74 and name HB2 ))
 OR {  401}
   (( segid PTB  and resid   73 and name HA  ))
   (( segid PTB  and resid   74 and name HB1 ))
 OR {  401}
   (( segid PTB  and resid   78 and name HB2 ))
   (( segid PTB  and resid   74 and name HB1 ))
 OR {  401}
   (( segid PTB  and resid   78 and name HB2 ))
   (( segid PTB  and resid   74 and name HB2 ))
 OR {  401}
   (( segid PTB  and resid  144 and name HA  ))
   (( segid PTB  and resid  145 and name HB1 ))
 ASSI {  439}
   (( segid PTB  and resid  113 and name HB2 ))
   (( segid PTB  and resid  113 and name HB1 ))
      2.100     0.900     0.900 peak   439 weight  0.10000E+01 volume  0.86034E+01 ppm1      2.025 ppm2      1.834
 OR {  439}
   (( segid PTB  and resid   68 and name HG2 ))
   (( segid PTB  and resid   68 and name HB1 ))
 OR {  439}
   (( segid PTB  and resid   68 and name HG2 ))
   (( segid PTB  and resid   68 and name HB2 ))
 ASSI {  455}
   (( segid PTB  and resid  101 and name HA  ))
   (( segid PTB  and resid  104 and name HB2 ))
      2.900     1.700     1.700 peak   455 weight  0.10000E+01 volume  0.14220E+01 ppm1      3.642 ppm2      2.123
 OR {  455}
   (( segid PTB  and resid  108 and name HA  ))
   (( segid PTB  and resid  111 and name HB2 ))
 OR {  455}
   (( segid PTB  and resid  101 and name HA  ))
   (( segid PTB  and resid  104 and name HB1 ))
 ASSI {  533}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  118 and name HG2 ))
      2.900     1.700     1.700 peak   533 weight  0.10000E+01 volume  0.13391E+01 ppm1      2.594 ppm2      1.706
 OR {  533}
   (( segid PTB  and resid  133 and name HB2 ))
   (( segid PTB  and resid  118 and name HG2 ))
 OR {  533}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  118 and name HG1 ))
 OR {  533}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid  118 and name HG2 ))
 OR {  533}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI {  537}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid  118 and name HG1 ))
      2.000     2.000     2.500 peak   537 weight  0.10000E+01 volume  0.11622E+02 ppm1      1.593 ppm2      1.718
 OR {  537}
   (( segid PTB  and resid   86 and name HD2 ))
   (( segid PTB  and resid  118 and name HG1 ))
 OR {  537}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid  118 and name HG2 ))
 OR {  537}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI {  600}
   (( segid PTB  and resid  204 and name HA  ))
   (( segid PTB  and resid  204 and name HG1 ))
      2.600     1.400     1.400 peak   600 weight  0.10000E+01 volume  0.28210E+01 ppm1      4.242 ppm2      1.797
 OR {  600}
   (( segid PTB  and resid   66 and name HA  ))
   (( segid PTB  and resid   66 and name HG2 ))
 OR {  600}
   (( segid PTB  and resid   66 and name HA  ))
   (( segid PTB  and resid   66 and name HG1 ))
 ASSI {  608}
   (( segid PTB  and resid   72 and name HB1 ))
   (( segid PTB  and resid   81 and name HB1 ))
      2.700     1.500     1.500 peak   608 weight  0.10000E+01 volume  0.22084E+01 ppm1      3.035 ppm2      3.055
 OR {  608}
   (( segid PTB  and resid  191 and name HA  ))
   (( segid PTB  and resid   81 and name HB1 ))
 OR {  608}
   (( segid PTB  and resid   82 and name HB1 ))
   (( segid PTB  and resid   81 and name HB1 ))
 OR {  608}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid   81 and name HB1 ))
 ASSI {  619}
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
   (( segid PTB  and resid  204 and name HG2 ))
      2.900     1.700     1.700 peak   619 weight  0.10000E+01 volume  0.13172E+01 ppm1      1.272 ppm2      1.717
 OR {  619}
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
   (( segid PTB  and resid  205 and name HG1 ))
 ASSI {  658}
   (( segid PTB  and resid  204 and name HD1 ))
   (( segid PTB  and resid  204 and name HG2 ))
      1.800     0.600     0.600 peak   658 weight  0.10000E+01 volume  0.20781E+02 ppm1      3.238 ppm2      1.715
 OR {  658}
   (( segid PTB  and resid  204 and name HD2 ))
   (( segid PTB  and resid  204 and name HG2 ))
 OR {  658}
   (( segid PTB  and resid  205 and name HD2 ))
   (( segid PTB  and resid  205 and name HG2 ))
 OR {  658}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  113 and name HG1 ))
 OR {  658}
   (( segid PTB  and resid  205 and name HD1 ))
   (( segid PTB  and resid  205 and name HG1 ))
 OR {  658}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  113 and name HG2 ))
 OR {  658}
   (( segid PTB  and resid  205 and name HD2 ))
   (( segid PTB  and resid  205 and name HG1 ))
 OR {  658}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  113 and name HG1 ))
 OR {  658}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  113 and name HG2 ))
 ASSI {  671}
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
   (( segid PTB  and resid   81 and name HB1 ))
      2.800     1.600     1.600 peak   671 weight  0.10000E+01 volume  0.15781E+01 ppm1      1.323 ppm2      3.113
 OR {  671}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  102 and name HB1 ))
 ASSI {  697}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HG1 ))
      2.800     1.600     1.600 peak   697 weight  0.10000E+01 volume  0.17401E+01 ppm1      4.144 ppm2      1.750
 OR {  697}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HG2 ))
 OR {  697}
   (( segid PTB  and resid  202 and name HA  ))
   (( segid PTB  and resid  204 and name HG2 ))
 ASSI {  779}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  114 and name HG1 ))
      2.900     1.700     1.700 peak   779 weight  0.10000E+01 volume  0.15107E+01 ppm1      0.942 ppm2      1.608
 OR {  779}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  114 and name HG1 ))
 OR {  779}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  114 and name HG2 ))
 OR {  779}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI {  970}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.900     1.700     1.700 peak   970 weight  0.10000E+01 volume  0.12694E+01 ppm1      3.187 ppm2      0.498
 OR {  970}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 OR {  970}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 OR {  970}
   (( segid PTB  and resid  177 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 ASSI {  976}
   (( segid PTB  and resid  175 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.600     1.400     1.400 peak   976 weight  0.10000E+01 volume  0.27976E+01 ppm1      1.783 ppm2      0.490
 OR {  976}
   (( segid PTB  and resid  106 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 OR {  976}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 ASSI {  979}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.400     1.200     1.200 peak   979 weight  0.10000E+01 volume  0.42751E+01 ppm1      1.600 ppm2      0.490
 OR {  979}
   (( segid PTB  and resid  114 and name HG2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 OR {  979}
   (( segid PTB  and resid   90 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 OR {  979}
   (( segid PTB  and resid   90 and name HB2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 ASSI {  999}
   (( segid PTB  and resid  127 and name HA2 ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.900     1.700     1.700 peak   999 weight  0.10000E+01 volume  0.13633E+01 ppm1      4.478 ppm2      0.295
 OR {  999}
   (( segid PTB  and resid  147 and name HA  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
 ASSI { 1000}
   (( segid PTB  and resid  103 and name HA  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      2.700     1.500     1.500 peak  1000 weight  0.10000E+01 volume  0.20600E+01 ppm1      3.875 ppm2      0.873
 OR { 1000}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1002}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.700     1.500     1.500 peak  1002 weight  0.10000E+01 volume  0.20761E+01 ppm1      1.923 ppm2      0.852
 OR { 1002}
   (( segid PTB  and resid  107 and name HB2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 OR { 1002}
   (( segid PTB  and resid  107 and name HB1 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 OR { 1002}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 OR { 1002}
   (( segid PTB  and resid  121 and name HB2 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1002}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1002}
   (( segid PTB  and resid  121 and name HB1 ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 OR { 1002}
   (( segid PTB  and resid  103 and name HB2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1003}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      2.600     1.400     1.400 peak  1003 weight  0.10000E+01 volume  0.24476E+01 ppm1      1.885 ppm2      0.824
 OR { 1003}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 OR { 1003}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1010}
   (( segid PTB  and resid   86 and name HG2 ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      2.900     1.700     1.700 peak  1010 weight  0.10000E+01 volume  0.12713E+01 ppm1      1.231 ppm2      0.816
 OR { 1010}
   (( segid PTB  and resid   86 and name HG1 ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
 OR { 1010}
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 ASSI { 1076}
   (( segid PTB  and resid  111 and name HB1 ))
   (( segid PTB  and resid  107 and name HG2 ))
      2.700     1.500     1.500 peak  1076 weight  0.10000E+01 volume  0.21230E+01 ppm1      2.233 ppm2      1.323
 OR { 1076}
   (( segid PTB  and resid  111 and name HB1 ))
   (( segid PTB  and resid  107 and name HG1 ))
 OR { 1076}
   (( segid PTB  and resid  165 and name HD1 ))
   (( segid PTB  and resid   97 and name HG2 ))
 OR { 1076}
   (( segid PTB  and resid  165 and name HD2 ))
   (( segid PTB  and resid   97 and name HG2 ))
 OR { 1076}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid  107 and name HG2 ))
 ASSI { 1088}
   (( segid PTB  and resid  195 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.400     1.200     1.200 peak  1088 weight  0.10000E+01 volume  0.43600E+01 ppm1      4.272 ppm2      0.946
 OR { 1088}
   (( segid PTB  and resid  204 and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI { 1100}
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.500     2.500     2.000 peak  1100 weight  0.10000E+01 volume  0.32902E+01 ppm1      1.597 ppm2      0.944
 OR { 1100}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI { 1147}
   (( segid PTB  and resid  129 and name HD2 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      3.100     1.900     1.900 peak  1147 weight  0.10000E+01 volume  0.90000E+00 ppm1      2.980 ppm2      0.863
 OR { 1147}
   (( segid PTB  and resid  129 and name HD1 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 OR { 1147}
   (( segid PTB  and resid  122 and name HB2 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 ASSI { 1172}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid  181 and name HG1 ))
      3.100     1.900     1.900 peak  1172 weight  0.10000E+01 volume  0.90000E+00 ppm1      2.642 ppm2      1.387
 OR { 1172}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid  181 and name HG2 ))
 OR { 1172}
   (( segid PTB  and resid  132 and name HB2 ))
   (( segid PTB  and resid  136 and name HG2 ))
 ASSI { 1186}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.700     1.500     1.500 peak  1186 weight  0.10000E+01 volume  0.20801E+01 ppm1      0.898 ppm2      0.302
 OR { 1186}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 OR { 1186}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 ASSI { 1212}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      1.700     0.600     0.600 peak  1212 weight  0.10000E+01 volume  0.37690E+02 ppm1      0.854 ppm2      0.759
 OR { 1212}
   (( segid PTB  and resid  120 and name HG  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 OR { 1212}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI { 1225}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.400     1.200     1.200 peak  1225 weight  0.10000E+01 volume  0.47983E+01 ppm1      3.982 ppm2      0.753
 OR { 1225}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 OR { 1225}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI { 1234}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.700     2.700     1.800 peak  1234 weight  0.10000E+01 volume  0.21073E+01 ppm1      1.470 ppm2      0.706
 OR { 1234}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 ASSI { 1266}
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.500     2.500     2.000 peak  1266 weight  0.10000E+01 volume  0.33902E+01 ppm1      0.698 ppm2      1.002
 OR { 1266}
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1280}
   (( segid PTB  and resid  125 and name HA2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.600     1.400     1.400 peak  1280 weight  0.10000E+01 volume  0.23899E+01 ppm1      4.005 ppm2      1.024
 OR { 1280}
   (( segid PTB  and resid  193 and name HA  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 OR { 1280}
   (( segid PTB  and resid  124 and name HB2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 OR { 1280}
   (( segid PTB  and resid   74 and name HA  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1291}
   (( segid PTB  and resid  204 and name HB2 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.300     1.100     1.100 peak  1291 weight  0.10000E+01 volume  0.55526E+01 ppm1      1.947 ppm2      0.951
 OR { 1291}
   (( segid GPPY and resid 3    and name HB  ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 OR { 1291}
   (( segid PTB  and resid  204 and name HB1 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 ASSI { 1295}
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.300     2.300     2.200 peak  1295 weight  0.10000E+01 volume  0.51621E+01 ppm1      1.573 ppm2      1.020
 OR { 1295}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 OR { 1295}
   (( segid PTB  and resid   77 and name HG1 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 OR { 1295}
   (( segid PTB  and resid   77 and name HG2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
 ASSI { 1320}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.200     1.000     1.000 peak  1320 weight  0.10000E+01 volume  0.75230E+01 ppm1      0.903 ppm2      0.645
 OR { 1320}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 OR { 1320}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1332}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.700     1.500     1.500 peak  1332 weight  0.10000E+01 volume  0.19587E+01 ppm1      4.044 ppm2      0.424
 OR { 1332}
   (( segid PTB  and resid  112 and name HB1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 OR { 1332}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1333}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.900     1.700     1.700 peak  1333 weight  0.10000E+01 volume  0.12909E+01 ppm1      3.963 ppm2      0.420
 OR { 1333}
   (( segid PTB  and resid  112 and name HB2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 OR { 1333}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1373}
   (( segid PTB  and resid  122 and name HB2 ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.600     1.400     1.400 peak  1373 weight  0.10000E+01 volume  0.25458E+01 ppm1      2.992 ppm2      0.596
 OR { 1373}
   (( segid PTB  and resid  122 and name HB1 ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 OR { 1373}
   (( segid PTB  and resid  191 and name HA  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1390}
   (( segid PTB  and resid   77 and name HA  ))
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
      3.000     1.800     1.800 peak  1390 weight  0.10000E+01 volume  0.12302E+01 ppm1      3.864 ppm2      1.086
 OR { 1390}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 ASSI { 1398}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.600     1.400     1.400 peak  1398 weight  0.10000E+01 volume  0.23776E+01 ppm1      2.432 ppm2      1.092
 OR { 1398}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 OR { 1398}
   (( segid PTB  and resid  126 and name HB1 ))
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
 ASSI { 1402}
   (( segid PTB  and resid  191 and name HB  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      2.900     1.700     1.700 peak  1402 weight  0.10000E+01 volume  0.13977E+01 ppm1      2.151 ppm2      0.610
 OR { 1402}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
 OR { 1402}
   (( segid PTB  and resid  191 and name HB  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1409}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.100     2.100     2.400 peak  1409 weight  0.10000E+01 volume  0.10663E+02 ppm1      1.459 ppm2      1.570
 OR { 1409}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid  178 and name HG  ))
 ASSI { 1436}
   (( segid PTB  and resid   87 and name HB1 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.900     1.700     1.700 peak  1436 weight  0.10000E+01 volume  0.14474E+01 ppm1      2.907 ppm2      0.952
 OR { 1436}
   (( segid PTB  and resid  177 and name HB2 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 1443}
   (( segid PTB  and resid  187 and name HG  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.700     1.500     1.500 peak  1443 weight  0.10000E+01 volume  0.19843E+01 ppm1      1.324 ppm2      0.884
 OR { 1443}
   (( segid PTB  and resid  178 and name HB1 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 OR { 1443}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 ASSI { 1469}
   (( segid PTB  and resid  121 and name HB1 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.900     1.700     1.700 peak  1469 weight  0.10000E+01 volume  0.13459E+01 ppm1      1.872 ppm2      0.925
 OR { 1469}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 OR { 1469}
   (( segid PTB  and resid  121 and name HB2 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 1500}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.500     1.300     1.300 peak  1500 weight  0.10000E+01 volume  0.37135E+01 ppm1      1.729 ppm2      0.898
 OR { 1500}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
 ASSI { 1523}
   (( segid PTB  and resid   77 and name HD2 ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.800     1.600     1.600 peak  1523 weight  0.10000E+01 volume  0.17870E+01 ppm1      3.135 ppm2      1.026
 OR { 1523}
   (( segid PTB  and resid   77 and name HD1 ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 OR { 1523}
   (( segid PTB  and resid  176 and name HA2 ))
   (( segid PTB  and resid   88 and name HG  ))
 ASSI { 1562}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.700     1.500     1.500 peak  1562 weight  0.10000E+01 volume  0.20449E+01 ppm1      1.865 ppm2      0.634
 OR { 1562}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 OR { 1562}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1616}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.800     1.600     1.600 peak  1616 weight  0.10000E+01 volume  0.17597E+01 ppm1      1.417 ppm2      1.174
 OR { 1616}
   (( segid PTB  and resid  171 and name HG1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 OR { 1616}
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 OR { 1616}
   (( segid PTB  and resid  171 and name HG2 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 ASSI { 1618}
   (( segid PTB  and resid  139 and name HG11))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.400     2.400     2.100 peak  1618 weight  0.10000E+01 volume  0.46899E+01 ppm1      1.296 ppm2      1.163
 OR { 1618}
   (( segid PTB  and resid  139 and name HG12))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 OR { 1618}
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 OR { 1618}
   (( segid PTB  and resid   88 and name HB2 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
 ASSI { 1647}
   (( segid PTB  and resid  122 and name HB2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.800     1.600     1.600 peak  1647 weight  0.10000E+01 volume  0.18296E+01 ppm1      2.982 ppm2      0.897
 OR { 1647}
   (( segid PTB  and resid  122 and name HB1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1647}
   (( segid PTB  and resid  107 and name HE1 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1647}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1647}
   (( segid PTB  and resid  136 and name HE1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1647}
   (( segid PTB  and resid  136 and name HE2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 ASSI { 1658}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.600     1.400     1.400 peak  1658 weight  0.10000E+01 volume  0.27225E+01 ppm1      1.603 ppm2      0.918
 OR { 1658}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1658}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1658}
   (( segid PTB  and resid  114 and name HG2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1658}
   (( segid PTB  and resid  129 and name HG2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 ASSI { 1714}
   (( segid PTB  and resid  118 and name HB1 ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.900     1.700     1.700 peak  1714 weight  0.10000E+01 volume  0.12887E+01 ppm1      1.789 ppm2      1.042
 OR { 1714}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
 OR { 1714}
   (( segid PTB  and resid  115 and name HB1 ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
 OR { 1714}
   (( segid PTB  and resid  115 and name HB2 ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
 ASSI { 1717}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.700     1.500     1.500 peak  1717 weight  0.10000E+01 volume  0.22960E+01 ppm1      1.538 ppm2      0.913
 OR { 1717}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1717}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1717}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 ASSI { 1722}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.800     1.600     1.600 peak  1722 weight  0.10000E+01 volume  0.16404E+01 ppm1      1.348 ppm2      0.917
 OR { 1722}
   (( segid PTB  and resid  139 and name HG11))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1722}
   (( segid PTB  and resid  107 and name HG2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 OR { 1722}
   (( segid PTB  and resid  139 and name HG12))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 OR { 1722}
   (( segid PTB  and resid  136 and name HG1 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
 ASSI { 1755}
   (( segid PTB  and resid  175 and name HB1 ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.500     2.500     2.000 peak  1755 weight  0.10000E+01 volume  0.35208E+01 ppm1      1.782 ppm2      0.814
 OR { 1755}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 OR { 1755}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1756}
   (( segid PTB  and resid   95 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.300     1.100     1.100 peak  1756 weight  0.10000E+01 volume  0.51730E+01 ppm1      1.667 ppm2      0.821
 OR { 1756}
   (( segid PTB  and resid  163 and name HB  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 1756}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 1779}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.000     0.800     0.800 peak  1779 weight  0.10000E+01 volume  0.11762E+02 ppm1      1.334 ppm2      0.803
 OR { 1779}
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 1781}
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.400     1.200     1.200 peak  1781 weight  0.10000E+01 volume  0.48472E+01 ppm1      1.093 ppm2      0.802
 OR { 1781}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 OR { 1781}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 ASSI { 1783}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      1.600     0.500     0.600 peak  1783 weight  0.10000E+01 volume  0.40767E+02 ppm1      0.920 ppm2      0.802
 OR { 1783}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 ASSI { 1823}
   (( segid PTB  and resid   96 and name HA  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.800     1.600     1.600 peak  1823 weight  0.10000E+01 volume  0.16228E+01 ppm1      2.990 ppm2      0.798
 OR { 1823}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
 OR { 1823}
   (( segid PTB  and resid  136 and name HE1 ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
 ASSI { 1862}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.500     1.300     1.300 peak  1862 weight  0.10000E+01 volume  0.32033E+01 ppm1      1.605 ppm2      0.926
 OR { 1862}
   (( segid PTB  and resid   90 and name HB1 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 OR { 1862}
   (( segid PTB  and resid  114 and name HG2 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 OR { 1862}
   (( segid PTB  and resid   90 and name HB2 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 OR { 1862}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 ASSI { 1873}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      1.800     0.600     0.600 peak  1873 weight  0.10000E+01 volume  0.25710E+02 ppm1      0.800 ppm2      0.926
 OR { 1873}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 ASSI { 1874}
   (( segid PTB  and resid  109 and name HG  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.800     1.600     1.600 peak  1874 weight  0.10000E+01 volume  0.16915E+01 ppm1      0.714 ppm2      0.930
 OR { 1874}
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
 ASSI { 1908}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.500     1.300     1.300 peak  1908 weight  0.10000E+01 volume  0.34347E+01 ppm1      1.284 ppm2      0.696
 OR { 1908}
   (( segid PTB  and resid  187 and name HG  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
 ASSI { 1914}
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.400     1.200     1.200 peak  1914 weight  0.10000E+01 volume  0.41978E+01 ppm1      0.139 ppm2      0.702
 OR { 1914}
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
 ASSI { 2020}
   (( segid PTB  and resid  145 and name HA  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.500     1.300     1.300 peak  2020 weight  0.10000E+01 volume  0.31157E+01 ppm1      3.953 ppm2      1.182
 OR { 2020}
   (( segid PTB  and resid  144 and name HA  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2046}
   (( segid PTB  and resid  144 and name HG12))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.600     1.400     1.400 peak  2046 weight  0.10000E+01 volume  0.28547E+01 ppm1      1.377 ppm2      1.183
 OR { 2046}
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2102}
   (( segid PTB  and resid  180 and name HB2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.700     1.500     1.500 peak  2102 weight  0.10000E+01 volume  0.19310E+01 ppm1      3.189 ppm2      1.614
 OR { 2102}
   (( segid PTB  and resid  158 and name HD1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 OR { 2102}
   (( segid PTB  and resid  177 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 ASSI { 2109}
   (( segid PTB  and resid   85 and name HB  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.800     1.600     1.600 peak  2109 weight  0.10000E+01 volume  0.17163E+01 ppm1      2.396 ppm2      1.615
 OR { 2109}
   (( segid PTB  and resid  182 and name HB2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 ASSI { 2181}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.600     1.400     1.400 peak  2181 weight  0.10000E+01 volume  0.26277E+01 ppm1      1.798 ppm2      1.627
 OR { 2181}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 OR { 2181}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 OR { 2181}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 ASSI { 2211}
   (( segid PTB  and resid  101 and name HB  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.900     1.700     1.700 peak  2211 weight  0.10000E+01 volume  0.15206E+01 ppm1      1.958 ppm2      1.320
 OR { 2211}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 OR { 2211}
   (( segid PTB  and resid  103 and name HB1 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 OR { 2211}
   (( segid PTB  and resid  103 and name HB2 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2212}
   (( segid PTB  and resid  106 and name HB1 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.800     1.600     1.600 peak  2212 weight  0.10000E+01 volume  0.15920E+01 ppm1      1.780 ppm2      1.343
 OR { 2212}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2214}
   (( segid PTB  and resid  106 and name HB2 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.700     2.700     1.800 peak  2214 weight  0.10000E+01 volume  0.19088E+01 ppm1      1.528 ppm2      1.339
 OR { 2214}
   (( segid PTB  and resid  106 and name HG  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 OR { 2214}
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 OR { 2214}
   (( segid PTB  and resid   90 and name HB1 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2221}
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.800     1.600     1.600 peak  2221 weight  0.10000E+01 volume  0.16695E+01 ppm1      0.697 ppm2      1.338
 OR { 2221}
   (( segid PTB  and resid  109 and name HG  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2242}
   (( segid PTB  and resid  163 and name HB  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.800     1.600     1.600 peak  2242 weight  0.10000E+01 volume  0.15771E+01 ppm1      1.731 ppm2      0.702
 OR { 2242}
   (( segid PTB  and resid   92 and name HB2 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 OR { 2242}
   (( segid PTB  and resid   92 and name HB1 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 ASSI { 2250}
   (( segid PTB  and resid   77 and name HA  ))
   (( segid PTB  and resid   76 and name HA  ))
      3.000     1.800     1.800 peak  2250 weight  0.10000E+01 volume  0.12158E+01 ppm1      3.864 ppm2      3.704
 OR { 2250}
   (( segid PTB  and resid   78 and name HB1 ))
   (( segid PTB  and resid   76 and name HA  ))
 ASSI { 2251}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.900     1.700     1.700 peak  2251 weight  0.10000E+01 volume  0.13606E+01 ppm1      3.127 ppm2      1.012
 OR { 2251}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2256}
   (( segid PTB  and resid  175 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.700     1.500     1.500 peak  2256 weight  0.10000E+01 volume  0.22395E+01 ppm1      2.644 ppm2      0.992
 OR { 2256}
   (( segid PTB  and resid  162 and name HB1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 2256}
   (( segid PTB  and resid  172 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2260}
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      3.000     1.800     1.800 peak  2260 weight  0.10000E+01 volume  0.12082E+01 ppm1      1.553 ppm2      0.988
 OR { 2260}
   (( segid PTB  and resid   90 and name HB1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2293}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid  197 and name HA  ))
      2.000     0.800     0.800 peak  2293 weight  0.10000E+01 volume  0.14688E+02 ppm1      1.027 ppm2      3.648
 OR { 2293}
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
   (( segid PTB  and resid  108 and name HA  ))
 ASSI { 2309}
   (( segid PTB  and resid  109 and name HA  ))
   (( segid PTB  and resid  108 and name HA  ))
      3.100     1.900     1.900 peak  2309 weight  0.10000E+01 volume  0.90000E+00 ppm1      3.862 ppm2      3.626
 OR { 2309}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  108 and name HA  ))
 OR { 2309}
   (( segid PTB  and resid   77 and name HA  ))
   (( segid PTB  and resid  197 and name HA  ))
 ASSI { 2316}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid  108 and name HA  ))
      2.400     1.200     1.200 peak  2316 weight  0.10000E+01 volume  0.41514E+01 ppm1      2.285 ppm2      3.665
 OR { 2316}
   (( segid PTB  and resid  111 and name HB1 ))
   (( segid PTB  and resid  108 and name HA  ))
 ASSI { 2317}
   (( segid PTB  and resid   70 and name HB2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      2.700     1.500     1.500 peak  2317 weight  0.10000E+01 volume  0.21767E+01 ppm1      2.114 ppm2      1.512
 OR { 2317}
   (( segid PTB  and resid   74 and name HB2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
 OR { 2317}
   (( segid PTB  and resid   74 and name HB1 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
 ASSI { 2375}
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.700     1.500     1.500 peak  2375 weight  0.10000E+01 volume  0.20161E+01 ppm1      0.152 ppm2      0.950
 OR { 2375}
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 ASSI { 2458}
   (( segid PTB  and resid  100 and name HB1 ))
   (( segid PTB  and resid  101 and name HA  ))
      2.700     1.500     1.500 peak  2458 weight  0.10000E+01 volume  0.20865E+01 ppm1      2.107 ppm2      3.618
 OR { 2458}
   (( segid PTB  and resid  104 and name HB2 ))
   (( segid PTB  and resid  101 and name HA  ))
 OR { 2458}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  101 and name HA  ))
 ASSI { 2472}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.500     1.300     1.300 peak  2472 weight  0.10000E+01 volume  0.30748E+01 ppm1      0.300 ppm2      1.276
 OR { 2472}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI { 2568}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.800     1.600     1.600 peak  2568 weight  0.10000E+01 volume  0.17276E+01 ppm1      3.137 ppm2      2.213
 OR { 2568}
   (( segid PTB  and resid  154 and name HD1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 2587}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.400     1.200     1.200 peak  2587 weight  0.10000E+01 volume  0.38892E+01 ppm1      1.813 ppm2      2.214
 OR { 2587}
   (( segid PTB  and resid  154 and name HG2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 OR { 2587}
   (( segid PTB  and resid  154 and name HB1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 OR { 2587}
   (( segid PTB  and resid  154 and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 2606}
   (( segid PTB  and resid   78 and name HA  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      2.800     1.600     1.600 peak  2606 weight  0.10000E+01 volume  0.17390E+01 ppm1      4.537 ppm2      1.540
 OR { 2606}
   (( segid PTB  and resid   80 and name HA  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
 ASSI { 2622}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.400     1.200     1.200 peak  2622 weight  0.10000E+01 volume  0.45863E+01 ppm1      1.678 ppm2      1.784
 OR { 2622}
   (( segid PTB  and resid   90 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 OR { 2622}
   (( segid PTB  and resid   92 and name HB1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2630}
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      2.700     1.500     1.500 peak  2630 weight  0.10000E+01 volume  0.23470E+01 ppm1      1.082 ppm2      1.549
 OR { 2630}
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
 ASSI { 2668}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.900     1.700     1.700 peak  2668 weight  0.10000E+01 volume  0.13673E+01 ppm1      0.805 ppm2      1.785
 OR { 2668}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2719}
   (( segid PTB  and resid  113 and name HA  ))
   (( segid PTB  and resid  112 and name HB2 ))
      2.800     1.600     1.600 peak  2719 weight  0.10000E+01 volume  0.18743E+01 ppm1      4.235 ppm2      3.941
 OR { 2719}
   (( segid PTB  and resid  114 and name HA  ))
   (( segid PTB  and resid  112 and name HB2 ))
 ASSI { 2744}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  112 and name HB1 ))
      2.900     1.700     1.700 peak  2744 weight  0.10000E+01 volume  0.12631E+01 ppm1      1.590 ppm2      4.042
 OR { 2744}
   (( segid PTB  and resid  114 and name HG2 ))
   (( segid PTB  and resid  112 and name HB1 ))
 OR { 2744}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid  188 and name HB1 ))
 OR { 2744}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid  188 and name HB2 ))
 ASSI { 2787}
   (( segid PTB  and resid  106 and name HB1 ))
   (( segid PTB  and resid  102 and name HA  ))
      2.700     2.700     1.800 peak  2787 weight  0.10000E+01 volume  0.19660E+01 ppm1      1.720 ppm2      4.227
 OR { 2787}
   (( segid PTB  and resid  163 and name HG11))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 2787}
   (( segid PTB  and resid  163 and name HB  ))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI { 2799}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   66 and name HA  ))
      2.400     2.400     2.100 peak  2799 weight  0.10000E+01 volume  0.38758E+01 ppm1      4.394 ppm2      4.223
 OR { 2799}
   (( segid PTB  and resid   67 and name HA  ))
   (( segid PTB  and resid   66 and name HA  ))
 ASSI { 2806}
   (( segid PTB  and resid   66 and name HD2 ))
   (( segid PTB  and resid   66 and name HA  ))
      2.700     1.500     1.500 peak  2806 weight  0.10000E+01 volume  0.23339E+01 ppm1      3.614 ppm2      4.223
 OR { 2806}
   (( segid PTB  and resid   66 and name HD1 ))
   (( segid PTB  and resid   66 and name HA  ))
 OR { 2806}
   (( segid PTB  and resid  161 and name HB1 ))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 2806}
   (( segid PTB  and resid  161 and name HB2 ))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI { 2820}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid  102 and name HA  ))
      2.800     2.800     1.700 peak  2820 weight  0.10000E+01 volume  0.15605E+01 ppm1      0.868 ppm2      4.174
 OR { 2820}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 2820}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 2820}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI { 2821}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid  102 and name HA  ))
      2.600     1.400     1.400 peak  2821 weight  0.10000E+01 volume  0.25725E+01 ppm1      0.828 ppm2      4.200
 OR { 2821}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  102 and name HA  ))
 OR { 2821}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI { 3079}
   (( segid PTB  and resid   96 and name HA  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.000     1.800     1.800 peak  3079 weight  0.10000E+01 volume  0.12237E+01 ppm1      3.012 ppm2      0.634
 OR { 3079}
   (( segid PTB  and resid  102 and name HB2 ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 ASSI { 3090}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  140 and name HA  ))
      2.800     1.600     1.600 peak  3090 weight  0.10000E+01 volume  0.16702E+01 ppm1      0.897 ppm2      4.077
 OR { 3090}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  140 and name HA  ))
 ASSI { 3106}
   (( segid PTB  and resid  138 and name HB2 ))
   (( segid PTB  and resid  139 and name HA  ))
      2.700     1.500     1.500 peak  3106 weight  0.10000E+01 volume  0.20972E+01 ppm1      1.716 ppm2      4.296
 OR { 3106}
   (( segid PTB  and resid  118 and name HG1 ))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 3106}
   (( segid PTB  and resid  129 and name HB1 ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 3106}
   (( segid PTB  and resid  118 and name HG2 ))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 3106}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  139 and name HA  ))
 OR { 3106}
   (( segid PTB  and resid  115 and name HG1 ))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 3106}
   (( segid PTB  and resid  115 and name HG2 ))
   (( segid PTB  and resid  117 and name HA  ))
 ASSI { 3111}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  139 and name HA  ))
      2.200     1.000     1.000 peak  3111 weight  0.10000E+01 volume  0.82847E+01 ppm1      0.869 ppm2      4.286
 OR { 3111}
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
   (( segid PTB  and resid  139 and name HA  ))
 OR { 3111}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 3111}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  139 and name HA  ))
 OR { 3111}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 3219}
   (( segid PTB  and resid  192 and name HA1 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      2.900     1.700     1.700 peak  3219 weight  0.10000E+01 volume  0.13465E+01 ppm1      1.895 ppm2      0.880
 OR { 3219}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 OR { 3219}
   (( segid PTB  and resid  121 and name HB1 ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 OR { 3219}
   (( segid GPPY and resid 3    and name HB  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 3254}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  130 and name HA  ))
      2.900     1.700     1.700 peak  3254 weight  0.10000E+01 volume  0.13030E+01 ppm1      1.579 ppm2      5.386
 OR { 3254}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  130 and name HA  ))
 OR { 3254}
   (( segid PTB  and resid  128 and name HB2 ))
   (( segid PTB  and resid  130 and name HA  ))
 OR { 3254}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  130 and name HA  ))
 OR { 3254}
   (( segid PTB  and resid  129 and name HG2 ))
   (( segid PTB  and resid  130 and name HA  ))
 ASSI { 3300}
   (( segid PTB  and resid  108 and name HA  ))
   (( segid PTB  and resid  107 and name HA  ))
      3.100     1.900     1.900 peak  3300 weight  0.10000E+01 volume  0.90000E+00 ppm1      3.658 ppm2      3.887
 OR { 3300}
   (( segid PTB  and resid  197 and name HA  ))
   (( segid PTB  and resid   77 and name HA  ))
 OR { 3300}
   (( segid PTB  and resid  125 and name HA1 ))
   (( segid PTB  and resid   77 and name HA  ))
 ASSI { 3302}
   (( segid PTB  and resid   77 and name HD2 ))
   (( segid PTB  and resid   77 and name HA  ))
      2.700     1.500     1.500 peak  3302 weight  0.10000E+01 volume  0.22004E+01 ppm1      3.063 ppm2      3.879
 OR { 3302}
   (( segid PTB  and resid   77 and name HD1 ))
   (( segid PTB  and resid   77 and name HA  ))
 OR { 3302}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  107 and name HA  ))
 OR { 3302}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid   73 and name HA  ))
 OR { 3302}
   (( segid PTB  and resid  110 and name HD2 ))
   (( segid PTB  and resid  107 and name HA  ))
 ASSI { 3313}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   73 and name HA  ))
      2.600     1.400     1.400 peak  3313 weight  0.10000E+01 volume  0.28324E+01 ppm1      2.125 ppm2      3.883
 OR { 3313}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   77 and name HA  ))
 OR { 3313}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid   77 and name HA  ))
 OR { 3313}
   (( segid PTB  and resid   74 and name HB2 ))
   (( segid PTB  and resid   73 and name HA  ))
 ASSI { 3321}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid   85 and name HA  ))
      2.700     1.500     1.500 peak  3321 weight  0.10000E+01 volume  0.19276E+01 ppm1      1.620 ppm2      5.461
 OR { 3321}
   (( segid PTB  and resid  173 and name HB1 ))
   (( segid PTB  and resid  163 and name HA  ))
 OR { 3321}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid  163 and name HA  ))
 OR { 3321}
   (( segid PTB  and resid   86 and name HD2 ))
   (( segid PTB  and resid   85 and name HA  ))
 ASSI { 3398}
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
   (( segid PTB  and resid  131 and name HA  ))
      2.200     1.000     1.000 peak  3398 weight  0.10000E+01 volume  0.77146E+01 ppm1      0.901 ppm2      4.870
 OR { 3398}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  131 and name HA  ))
 ASSI { 3417}
   (( segid PTB  and resid  102 and name HA  ))
   (( segid PTB  and resid  103 and name HA  ))
      3.100     1.900     1.900 peak  3417 weight  0.10000E+01 volume  0.90000E+00 ppm1      4.172 ppm2      3.909
 OR { 3417}
   (( segid PTB  and resid  100 and name HA  ))
   (( segid PTB  and resid  103 and name HA  ))
 ASSI { 3457}
   (( segid PTB  and resid  156 and name HA  ))
   (( segid PTB  and resid  157 and name HA  ))
      2.700     1.500     1.500 peak  3457 weight  0.10000E+01 volume  0.19495E+01 ppm1      4.598 ppm2      4.435
 OR { 3457}
   (( segid PTB  and resid  183 and name HA  ))
   (( segid PTB  and resid  157 and name HA  ))
 ASSI { 3469}
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
   (( segid PTB  and resid  187 and name HA  ))
      2.900     1.700     1.700 peak  3469 weight  0.10000E+01 volume  0.12668E+01 ppm1      0.695 ppm2      2.706
 OR { 3469}
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
   (( segid PTB  and resid  187 and name HA  ))
 ASSI { 3522}
   (( segid PTB  and resid  110 and name HD2 ))
   (( segid PTB  and resid  110 and name HA  ))
      2.700     1.500     1.500 peak  3522 weight  0.10000E+01 volume  0.21277E+01 ppm1      3.101 ppm2      4.009
 OR { 3522}
   (( segid PTB  and resid   77 and name HD1 ))
   (( segid PTB  and resid   74 and name HA  ))
 OR { 3522}
   (( segid PTB  and resid   77 and name HD2 ))
   (( segid PTB  and resid   74 and name HA  ))
 OR { 3522}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  189 and name HA  ))
 ASSI { 3523}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  110 and name HA  ))
      2.900     1.700     1.700 peak  3523 weight  0.10000E+01 volume  0.14421E+01 ppm1      3.063 ppm2      4.013
 OR { 3523}
   (( segid PTB  and resid  110 and name HD2 ))
   (( segid PTB  and resid  110 and name HA  ))
 OR { 3523}
   (( segid PTB  and resid   77 and name HD1 ))
   (( segid PTB  and resid   74 and name HA  ))
 OR { 3523}
   (( segid PTB  and resid   77 and name HD2 ))
   (( segid PTB  and resid   74 and name HA  ))
 ASSI { 3532}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  110 and name HA  ))
      2.200     1.000     1.000 peak  3532 weight  0.10000E+01 volume  0.82334E+01 ppm1      1.913 ppm2      4.013
 OR { 3532}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid  110 and name HA  ))
 OR { 3532}
   (( segid PTB  and resid  107 and name HB1 ))
   (( segid PTB  and resid  104 and name HA  ))
 OR { 3532}
   (( segid PTB  and resid   77 and name HB2 ))
   (( segid PTB  and resid   74 and name HA  ))
 ASSI { 3534}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  104 and name HA  ))
      2.700     1.500     1.500 peak  3534 weight  0.10000E+01 volume  0.19245E+01 ppm1      1.583 ppm2      4.010
 OR { 3534}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  110 and name HA  ))
 OR { 3534}
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
   (( segid PTB  and resid   74 and name HA  ))
 ASSI { 3535}
   (( segid PTB  and resid   77 and name HG2 ))
   (( segid PTB  and resid   74 and name HA  ))
      2.800     1.600     1.600 peak  3535 weight  0.10000E+01 volume  0.17528E+01 ppm1      1.554 ppm2      4.017
 OR { 3535}
   (( segid PTB  and resid   77 and name HG1 ))
   (( segid PTB  and resid   74 and name HA  ))
 OR { 3535}
   (( segid PTB  and resid  106 and name HB2 ))
   (( segid PTB  and resid  104 and name HA  ))
 OR { 3535}
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
   (( segid PTB  and resid   74 and name HA  ))
 ASSI { 3537}
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
   (( segid PTB  and resid   74 and name HA  ))
      2.900     1.700     1.700 peak  3537 weight  0.10000E+01 volume  0.12963E+01 ppm1      1.372 ppm2      4.020
 OR { 3537}
   (( segid PTB  and resid  107 and name HG1 ))
   (( segid PTB  and resid  104 and name HA  ))
 OR { 3537}
   (( segid PTB  and resid   88 and name HB2 ))
   (( segid PTB  and resid  110 and name HA  ))
 OR { 3537}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid  110 and name HA  ))
 OR { 3537}
   (( segid PTB  and resid  107 and name HG2 ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI { 3559}
   (( segid PTB  and resid  201 and name HB1 ))
   (( segid PTB  and resid  201 and name HA  ))
      2.100     0.900     0.900 peak  3559 weight  0.10000E+01 volume  0.90646E+01 ppm1      2.029 ppm2      4.149
 OR { 3559}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  202 and name HA  ))
 OR { 3559}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  202 and name HA  ))
 OR { 3559}
   (( segid PTB  and resid  201 and name HB2 ))
   (( segid PTB  and resid  201 and name HA  ))
 OR { 3559}
   (( segid PTB  and resid  100 and name HB1 ))
   (( segid PTB  and resid  100 and name HA  ))
 ASSI { 3691}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  106 and name HA  ))
      2.900     1.700     1.700 peak  3691 weight  0.10000E+01 volume  0.12491E+01 ppm1      1.332 ppm2      3.807
 OR { 3691}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 3741}
   (( segid PTB  and resid  112 and name HB1 ))
   (( segid PTB  and resid  109 and name HA  ))
      2.900     1.700     1.700 peak  3741 weight  0.10000E+01 volume  0.14434E+01 ppm1      4.052 ppm2      3.838
 OR { 3741}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid  109 and name HA  ))
 OR { 3741}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 3742}
   (( segid PTB  and resid  112 and name HB2 ))
   (( segid PTB  and resid  109 and name HA  ))
      2.700     1.500     1.500 peak  3742 weight  0.10000E+01 volume  0.23393E+01 ppm1      3.957 ppm2      3.847
 OR { 3742}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid  109 and name HA  ))
 ASSI { 3753}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  109 and name HA  ))
      2.900     1.700     1.700 peak  3753 weight  0.10000E+01 volume  0.13792E+01 ppm1      0.933 ppm2      3.856
 OR { 3753}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  109 and name HA  ))
 ASSI { 3834}
   (( segid PTB  and resid  199 and name HB2 ))
   (( segid PTB  and resid  203 and name HA  ))
      2.900     1.700     1.700 peak  3834 weight  0.10000E+01 volume  0.13046E+01 ppm1      1.626 ppm2      4.215
 OR { 3834}
   (( segid PTB  and resid  199 and name HB1 ))
   (( segid PTB  and resid  203 and name HA  ))
 OR { 3834}
   (( segid PTB  and resid  199 and name HB2 ))
   (( segid PTB  and resid  204 and name HA  ))
 OR { 3834}
   (( segid PTB  and resid  199 and name HB1 ))
   (( segid PTB  and resid  204 and name HA  ))
 ASSI { 3864}
   (( segid PTB  and resid  201 and name HB2 ))
   (( segid PTB  and resid  203 and name HA  ))
      2.300     2.300     2.200 peak  3864 weight  0.10000E+01 volume  0.54576E+01 ppm1      2.010 ppm2      4.224
 OR { 3864}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  203 and name HA  ))
 OR { 3864}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  203 and name HA  ))
 OR { 3864}
   (( segid PTB  and resid  201 and name HB1 ))
   (( segid PTB  and resid  203 and name HA  ))
 ASSI { 3897}
   (( segid PTB  and resid   66 and name HB1 ))
   (( segid PTB  and resid   67 and name HA  ))
      2.900     1.700     1.700 peak  3897 weight  0.10000E+01 volume  0.13828E+01 ppm1      2.159 ppm2      4.392
 OR { 3897}
   (( segid PTB  and resid   70 and name HB1 ))
   (( segid PTB  and resid   67 and name HA  ))
 ASSI { 3903}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid   92 and name HA  ))
      2.800     1.600     1.600 peak  3903 weight  0.10000E+01 volume  0.17339E+01 ppm1      1.656 ppm2      5.022
 OR { 3903}
   (( segid PTB  and resid  173 and name HB1 ))
   (( segid PTB  and resid   92 and name HA  ))
 OR { 3903}
   (( segid PTB  and resid  171 and name HB2 ))
   (( segid PTB  and resid   92 and name HA  ))
 OR { 3903}
   (( segid PTB  and resid  171 and name HB1 ))
   (( segid PTB  and resid   92 and name HA  ))
 ASSI { 3904}
   (( segid PTB  and resid  209 and name HB1 )
     OR 
    ( segid PTB  and resid  209 and name HB3 )
     OR 
    ( segid PTB  and resid  209 and name HB2 ))
   (( segid PTB  and resid  205 and name HA  ))
      3.000     1.800     1.800 peak  3904 weight  0.10000E+01 volume  0.12364E+01 ppm1      1.433 ppm2      4.371
 OR { 3904}
   (( segid PTB  and resid  208 and name HB1 )
     OR 
    ( segid PTB  and resid  208 and name HB3 )
     OR 
    ( segid PTB  and resid  208 and name HB2 ))
   (( segid PTB  and resid  205 and name HA  ))
 OR { 3904}
   (( segid GPPY and resid 7    and name HB1 ))
   (( segid PTB  and resid  205 and name HA  ))
 ASSI { 3936}
   (( segid PTB  and resid  182 and name HB2 ))
   (( segid PTB  and resid  183 and name HA  ))
      2.800     1.600     1.600 peak  3936 weight  0.10000E+01 volume  0.16192E+01 ppm1      2.397 ppm2      4.600
 OR { 3936}
   (( segid PTB  and resid  157 and name HG1 ))
   (( segid PTB  and resid  156 and name HA  ))
 OR { 3936}
   (( segid PTB  and resid  157 and name HG2 ))
   (( segid PTB  and resid  156 and name HA  ))
 ASSI { 3940}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  183 and name HA  ))
      2.700     1.500     1.500 peak  3940 weight  0.10000E+01 volume  0.19183E+01 ppm1      1.815 ppm2      4.602
 OR { 3940}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  183 and name HA  ))
 OR { 3940}
   (( segid PTB  and resid  158 and name HG1 ))
   (( segid PTB  and resid  183 and name HA  ))
 OR { 3940}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  183 and name HA  ))
 OR { 3940}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  183 and name HA  ))
 ASSI { 3983}
   (( segid PTB  and resid   91 and name HA  ))
   (( segid PTB  and resid   92 and name HA  ))
      2.600     1.400     1.400 peak  3983 weight  0.10000E+01 volume  0.26716E+01 ppm1      4.413 ppm2      5.063
 OR { 3983}
   (( segid PTB  and resid   93 and name HA  ))
   (( segid PTB  and resid   92 and name HA  ))
 ASSI { 4017}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid   82 and name HA  ))
      2.900     1.700     1.700 peak  4017 weight  0.10000E+01 volume  0.13429E+01 ppm1      0.855 ppm2      5.458
 OR { 4017}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  177 and name HA  ))
 OR { 4017}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  177 and name HA  ))
 OR { 4017}
   (( segid PTB  and resid  120 and name HG  ))
   (( segid PTB  and resid   82 and name HA  ))
 ASSI { 4097}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid   87 and name HA  ))
      2.800     1.600     1.600 peak  4097 weight  0.10000E+01 volume  0.15440E+01 ppm1      0.624 ppm2      4.796
 OR { 4097}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid   87 and name HA  ))
 ASSI { 4169}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  190 and name HA  ))
      2.800     1.600     1.600 peak  4169 weight  0.10000E+01 volume  0.15291E+01 ppm1      3.090 ppm2      3.555
 OR { 4169}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  194 and name HA  ))
 ASSI { 4206}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  190 and name HA  ))
      2.900     1.700     1.700 peak  4206 weight  0.10000E+01 volume  0.12562E+01 ppm1      3.048 ppm2      3.552
 OR { 4206}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  194 and name HA  ))
 OR { 4206}
   (( segid PTB  and resid   72 and name HB1 ))
   (( segid PTB  and resid  190 and name HA  ))
 ASSI { 4214}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  194 and name HA  ))
      2.300     1.100     1.100 peak  4214 weight  0.10000E+01 volume  0.58195E+01 ppm1      1.022 ppm2      3.590
 OR { 4214}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  190 and name HA  ))
 ASSI { 4263}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid   86 and name HA  ))
      2.600     1.400     1.400 peak  4263 weight  0.10000E+01 volume  0.24356E+01 ppm1      1.653 ppm2      4.969
 OR { 4263}
   (( segid PTB  and resid   86 and name HD2 ))
   (( segid PTB  and resid   86 and name HA  ))
 OR { 4263}
   (( segid PTB  and resid  129 and name HB1 ))
   (( segid PTB  and resid  122 and name HA  ))
 OR { 4263}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid  118 and name HA  ))
 ASSI { 4265}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid   86 and name HA  ))
      2.700     1.500     1.500 peak  4265 weight  0.10000E+01 volume  0.19839E+01 ppm1      1.626 ppm2      4.998
 OR { 4265}
   (( segid PTB  and resid   86 and name HD2 ))
   (( segid PTB  and resid   86 and name HA  ))
 OR { 4265}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid   86 and name HA  ))
 OR { 4265}
   (( segid PTB  and resid  129 and name HB1 ))
   (( segid PTB  and resid  122 and name HA  ))
 OR { 4265}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid  118 and name HA  ))
 OR { 4265}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  118 and name HA  ))
 ASSI { 4356}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
      2.900     1.700     1.700 peak  4356 weight  0.10000E+01 volume  0.13393E+01 ppm1      9.103 ppm2      0.846
 OR { 4356}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
 ASSI { 4357}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      2.800     1.600     1.600 peak  4357 weight  0.10000E+01 volume  0.16943E+01 ppm1      8.852 ppm2      0.861
 OR { 4357}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 OR { 4357}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 OR { 4357}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 4365}
   (( segid PTB  and resid  141 and name HA  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.500     1.300     1.300 peak  4365 weight  0.10000E+01 volume  0.30830E+01 ppm1      4.958 ppm2      0.847
 OR { 4365}
   (( segid PTB  and resid  176 and name HA1 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 4370}
   (( segid PTB  and resid  120 and name HA  ))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
      2.800     1.600     1.600 peak  4370 weight  0.10000E+01 volume  0.16671E+01 ppm1      5.225 ppm2      0.852
 OR { 4370}
   (( segid PTB  and resid  152 and name HA  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 4393}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HG1 ))
      2.700     1.500     1.500 peak  4393 weight  0.10000E+01 volume  0.20634E+01 ppm1      7.079 ppm2      1.383
 OR { 4393}
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
 OR { 4393}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 4396}
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.900     1.700     1.700 peak  4396 weight  0.10000E+01 volume  0.14666E+01 ppm1      6.948 ppm2      1.383
 OR { 4396}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR { 4396}
   (( segid PTB  and resid  149 and name HE1 )
     OR 
    ( segid PTB  and resid  149 and name HE2 ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
 OR { 4396}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 4405}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.400     1.200     1.200 peak  4405 weight  0.10000E+01 volume  0.39057E+01 ppm1      9.191 ppm2      0.756
 OR { 4405}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 ASSI { 4422}
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      2.800     1.600     1.600 peak  4422 weight  0.10000E+01 volume  0.16859E+01 ppm1      6.942 ppm2      0.928
 OR { 4422}
   (( segid PTB  and resid  149 and name HE1 )
     OR 
    ( segid PTB  and resid  149 and name HE2 ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
 OR { 4422}
   (( segid PTB  and resid  149 and name HE1 )
     OR 
    ( segid PTB  and resid  149 and name HE2 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 ASSI { 4424}
   (( segid PTB  and resid  130 and name HA  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.600     1.400     1.400 peak  4424 weight  0.10000E+01 volume  0.24051E+01 ppm1      5.350 ppm2      0.652
 OR { 4424}
   (( segid PTB  and resid  128 and name HA  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 4428}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      2.900     1.700     1.700 peak  4428 weight  0.10000E+01 volume  0.14737E+01 ppm1      8.838 ppm2      0.586
 OR { 4428}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 4429}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.800     1.600     1.600 peak  4429 weight  0.10000E+01 volume  0.17090E+01 ppm1      8.585 ppm2      0.650
 OR { 4429}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 4440}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.900     1.700     1.700 peak  4440 weight  0.10000E+01 volume  0.14626E+01 ppm1      5.002 ppm2      0.951
 OR { 4440}
   (( segid PTB  and resid  178 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 OR { 4440}
   (( segid PTB  and resid   84 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 4444}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.900     1.700     1.700 peak  4444 weight  0.10000E+01 volume  0.13426E+01 ppm1      9.092 ppm2      0.952
 OR { 4444}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 4451}
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.900     1.700     1.700 peak  4451 weight  0.10000E+01 volume  0.13078E+01 ppm1      6.622 ppm2      0.901
 OR { 4451}
   (( segid PTB  and resid  162 and name HE1 )
     OR 
    ( segid PTB  and resid  162 and name HE2 ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
 ASSI { 4452}
   (( segid PTB  and resid  130 and name HA  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.500     1.300     1.300 peak  4452 weight  0.10000E+01 volume  0.31297E+01 ppm1      5.362 ppm2      0.903
 OR { 4452}
   (( segid PTB  and resid  129 and name HA  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
 ASSI { 4453}
   (( segid PTB  and resid  121 and name HA  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.800     1.600     1.600 peak  4453 weight  0.10000E+01 volume  0.18446E+01 ppm1      5.134 ppm2      0.893
 OR { 4453}
   (( segid PTB  and resid  121 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 4491}
   (( segid PTB  and resid  129 and name HA  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.800     1.600     1.600 peak  4491 weight  0.10000E+01 volume  0.16049E+01 ppm1      5.331 ppm2      0.818
 OR { 4491}
   (( segid PTB  and resid  128 and name HA  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 4505}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.900     1.700     1.700 peak  4505 weight  0.10000E+01 volume  0.12838E+01 ppm1      8.874 ppm2      0.654
 OR { 4505}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI { 4582}
   (( segid PTB  and resid   84 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.800     1.600     1.600 peak  4582 weight  0.10000E+01 volume  0.16579E+01 ppm1      4.968 ppm2      0.945
 OR { 4582}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 ASSI { 4610}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.700     1.500     1.500 peak  4610 weight  0.10000E+01 volume  0.21047E+01 ppm1      8.383 ppm2      1.783
 OR { 4610}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 4969}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
      2.900     1.700     1.700 peak  4969 weight  0.10000E+01 volume  0.13407E+01 ppm1      8.543 ppm2      4.194
 OR { 4969}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   66 and name HA  ))
 ASSI { 4988}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  143 and name HA  ))
      3.000     1.800     1.800 peak  4988 weight  0.10000E+01 volume  0.12295E+01 ppm1      8.592 ppm2      4.636
 OR { 4988}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  143 and name HA  ))
 ASSI { 5010}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
      2.600     1.400     1.400 peak  5010 weight  0.10000E+01 volume  0.26543E+01 ppm1      9.184 ppm2      5.465
 OR { 5010}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
 OR { 5010}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
 ASSI { 5124}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   82 and name HA  ))
      3.100     1.900     1.900 peak  5124 weight  0.10000E+01 volume  0.89560E+00 ppm1      8.366 ppm2      5.477
 OR { 5124}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid  177 and name HA  ))
 ASSI { 5134}
   (( segid PTB  and resid  190 and name HA  ))
   (( segid PTB  and resid  193 and name HB2 ))
      3.300     2.200     2.200 peak  5134 weight  0.10000E+01 volume  0.64300E+00 ppm1      3.574 ppm2      2.545
 OR { 5134}
   (( segid PTB  and resid  194 and name HA  ))
   (( segid PTB  and resid  193 and name HB2 ))
 ASSI { 5146}
   (( segid PTB  and resid   99 and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.000     1.800     1.800 peak  5146 weight  0.10000E+01 volume  0.11752E+01 ppm1      2.125 ppm2      1.571
 OR { 5146}
   (( segid GPPY and resid 5    and name HG1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 OR { 5146}
   (( segid PTB  and resid   99 and name HB1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 ASSI { 5154}
   (( segid PTB  and resid  133 and name HA  ))
   (( segid PTB  and resid  136 and name HA  ))
      3.100     1.900     1.900 peak  5154 weight  0.10000E+01 volume  0.10099E+01 ppm1      4.505 ppm2      4.100
 OR { 5154}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  136 and name HA  ))
 ASSI { 5167}
   (( segid PTB  and resid  144 and name HA  ))
   (( segid PTB  and resid  149 and name HA  ))
      3.200     2.000     2.000 peak  5167 weight  0.10000E+01 volume  0.75430E+00 ppm1      3.910 ppm2      5.576
 OR { 5167}
   (( segid PTB  and resid  145 and name HA  ))
   (( segid PTB  and resid  149 and name HA  ))
 ASSI { 5171}
   (( segid PTB  and resid   82 and name HA  ))
   (( segid PTB  and resid  123 and name HA  ))
      3.100     1.900     1.900 peak  5171 weight  0.10000E+01 volume  0.89660E+00 ppm1      5.401 ppm2      4.295
 OR { 5171}
   (( segid PTB  and resid  130 and name HA  ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 5173}
   (( segid PTB  and resid  118 and name HA  ))
   (( segid PTB  and resid  117 and name HA  ))
      3.000     1.800     1.800 peak  5173 weight  0.10000E+01 volume  0.10335E+01 ppm1      4.975 ppm2      4.300
 OR { 5173}
   (( segid PTB  and resid  122 and name HA  ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 5173}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid  117 and name HA  ))
 ASSI { 5175}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
      3.100     1.900     1.900 peak  5175 weight  0.10000E+01 volume  0.84620E+00 ppm1      8.578 ppm2      4.324
 OR { 5175}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 5194}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      3.100     1.900     1.900 peak  5194 weight  0.10000E+01 volume  0.95670E+00 ppm1      8.582 ppm2      0.883
 OR { 5194}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 OR { 5194}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 ASSI { 5206}
   (( segid PTB  and resid  138 and name HG  ))
   (( segid PTB  and resid  131 and name HA  ))
      3.300     2.200     2.200 peak  5206 weight  0.10000E+01 volume  0.68570E+00 ppm1      1.522 ppm2      4.883
 OR { 5206}
   (( segid PTB  and resid  138 and name HB1 ))
   (( segid PTB  and resid  131 and name HA  ))
 OR { 5206}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  131 and name HA  ))
 ASSI { 5212}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  193 and name HA  ))
      3.100     1.900     1.900 peak  5212 weight  0.10000E+01 volume  0.98290E+00 ppm1      1.021 ppm2      3.997
 OR { 5212}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid PTB  and resid  193 and name HA  ))
 ASSI { 5218}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      3.100     1.900     1.900 peak  5218 weight  0.10000E+01 volume  0.85650E+00 ppm1      1.211 ppm2      1.543
 OR { 5218}
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
 ASSI { 5233}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.000     1.800     1.800 peak  5233 weight  0.10000E+01 volume  0.10346E+01 ppm1      8.370 ppm2      1.452
 OR { 5233}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 ASSI { 5237}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid   99 and name HA  ))
      3.100     1.900     1.900 peak  5237 weight  0.10000E+01 volume  0.84580E+00 ppm1      3.181 ppm2      4.046
 OR { 5237}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   99 and name HA  ))
 ASSI { 5238}
   (( segid PTB  and resid   99 and name HA  ))
   (( segid PTB  and resid  102 and name HB1 ))
      3.200     2.000     2.000 peak  5238 weight  0.10000E+01 volume  0.76980E+00 ppm1      4.045 ppm2      3.176
 OR { 5238}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  102 and name HB1 ))
 OR { 5238}
   (( segid PTB  and resid  200 and name HA  ))
   (( segid PTB  and resid  198 and name HB2 ))
 ASSI { 5263}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   86 and name HD1 ))
      3.000     1.800     1.800 peak  5263 weight  0.10000E+01 volume  0.11880E+01 ppm1      5.010 ppm2      1.648
 OR { 5263}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   86 and name HD2 ))
 OR { 5263}
   (( segid PTB  and resid  118 and name HA  ))
   (( segid PTB  and resid   86 and name HD1 ))
 ASSI { 5265}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.700     1.500     1.500 peak  5265 weight  0.10000E+01 volume  0.22827E+01 ppm1      9.184 ppm2      0.995
 OR { 5265}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 5302}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid PTB  and resid   99 and name HA  ))
      3.000     1.800     1.800 peak  5302 weight  0.10000E+01 volume  0.11919E+01 ppm1      4.200 ppm2      4.050
 OR { 5302}
   (( segid PTB  and resid  100 and name HA  ))
   (( segid PTB  and resid   99 and name HA  ))
 ASSI { 5320}
   (( segid PTB  and resid  150 and name HB1 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      3.200     2.000     2.000 peak  5320 weight  0.10000E+01 volume  0.80420E+00 ppm1      2.717 ppm2      0.686
 OR { 5320}
   (( segid PTB  and resid  192 and name HA2 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 OR { 5320}
   (( segid PTB  and resid  187 and name HA  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
 ASSI { 5345}
   (( segid PTB  and resid  136 and name HE1 ))
   (( segid PTB  and resid  133 and name HA  ))
      2.700     1.500     1.500 peak  5345 weight  0.10000E+01 volume  0.21780E+01 ppm1      3.004 ppm2      4.490
 OR { 5345}
   (( segid PTB  and resid  136 and name HE2 ))
   (( segid PTB  and resid  133 and name HA  ))
 OR { 5345}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  133 and name HA  ))
 ASSI { 5350}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  123 and name HA  ))
      3.000     1.800     1.800 peak  5350 weight  0.10000E+01 volume  0.10658E+01 ppm1      0.274 ppm2      4.310
 OR { 5350}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 5351}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  117 and name HA  ))
      3.000     1.800     1.800 peak  5351 weight  0.10000E+01 volume  0.11145E+01 ppm1      1.639 ppm2      4.308
 OR { 5351}
   (( segid PTB  and resid  138 and name HB2 ))
   (( segid PTB  and resid  139 and name HA  ))
 OR { 5351}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 5351}
   (( segid PTB  and resid  129 and name HB1 ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 5351}
   (( segid PTB  and resid  129 and name HG2 ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 5351}
   (( segid PTB  and resid  129 and name HG1 ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 5351}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid  117 and name HA  ))
 ASSI { 5361}
   (( segid PTB  and resid  129 and name HA  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      3.100     1.900     1.900 peak  5361 weight  0.10000E+01 volume  0.95290E+00 ppm1      5.335 ppm2      0.605
 OR { 5361}
   (( segid PTB  and resid  130 and name HA  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 OR { 5361}
   (( segid PTB  and resid  128 and name HA  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 ASSI { 5366}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      3.000     1.800     1.800 peak  5366 weight  0.10000E+01 volume  0.11233E+01 ppm1      9.199 ppm2      0.795
 OR { 5366}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 5366}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 OR { 5366}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 5367}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      3.000     1.800     1.800 peak  5367 weight  0.10000E+01 volume  0.11054E+01 ppm1      8.530 ppm2      0.802
 OR { 5367}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
 ASSI { 5371}
   (( segid PTB  and resid   72 and name HB1 ))
   (( segid PTB  and resid   73 and name HA  ))
      3.000     1.800     1.800 peak  5371 weight  0.10000E+01 volume  0.10840E+01 ppm1      2.979 ppm2      3.878
 OR { 5371}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  107 and name HA  ))
 OR { 5371}
   (( segid PTB  and resid  107 and name HE1 ))
   (( segid PTB  and resid  107 and name HA  ))
 ASSI { 5384}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      3.100     1.900     1.900 peak  5384 weight  0.10000E+01 volume  0.91560E+00 ppm1      0.831 ppm2      2.197
 OR { 5384}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 OR { 5384}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 OR { 5384}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 5395}
   (( segid PTB  and resid  158 and name HA  ))
   (( segid PTB  and resid  157 and name HA  ))
      3.100     1.900     1.900 peak  5395 weight  0.10000E+01 volume  0.90000E+00 ppm1      4.753 ppm2      4.443
 OR { 5395}
   (( segid PTB  and resid  155 and name HA  ))
   (( segid PTB  and resid  157 and name HA  ))
 ASSI { 5406}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  180 and name HA  ))
      3.200     2.000     2.000 peak  5406 weight  0.10000E+01 volume  0.73840E+00 ppm1      3.984 ppm2      4.261
 OR { 5406}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  180 and name HA  ))
 OR { 5406}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid  117 and name HA  ))
 ASSI { 5415}
   (( segid PTB  and resid   85 and name HA  ))
   (( segid PTB  and resid   86 and name HA  ))
      2.900     1.700     1.700 peak  5415 weight  0.10000E+01 volume  0.14084E+01 ppm1      5.462 ppm2      5.022
 OR { 5415}
   (( segid PTB  and resid   82 and name HA  ))
   (( segid PTB  and resid   83 and name HA  ))
 ASSI { 5417}
   (( segid PTB  and resid  176 and name HA2 ))
   (( segid PTB  and resid  161 and name HA  ))
      3.100     1.900     1.900 peak  5417 weight  0.10000E+01 volume  0.96700E+00 ppm1      3.163 ppm2      5.361
 OR { 5417}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid  161 and name HA  ))
 OR { 5417}
   (( segid PTB  and resid  177 and name HB1 ))
   (( segid PTB  and resid  161 and name HA  ))
 ASSI { 5420}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      1.900     0.700     0.700 peak  5420 weight  0.10000E+01 volume  0.16932E+02 ppm1      1.944 ppm2      0.804
 OR { 5420}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 OR { 5420}
   (( segid PTB  and resid  101 and name HB  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 5422}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid   97 and name HG2 ))
      3.000     1.800     1.800 peak  5422 weight  0.10000E+01 volume  0.10937E+01 ppm1      0.810 ppm2      1.316
 OR { 5422}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid   97 and name HG1 ))
 OR { 5422}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  107 and name HG2 ))
 OR { 5422}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  107 and name HG1 ))
 OR { 5422}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid   97 and name HG2 ))
 OR { 5422}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid   97 and name HG1 ))
 OR { 5422}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  107 and name HG2 ))
 OR { 5422}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  107 and name HG1 ))
 OR { 5422}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid   97 and name HG2 ))
 ASSI { 5439}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.100     1.900     1.900 peak  5439 weight  0.10000E+01 volume  0.87675E+00 ppm1      1.462 ppm2      0.131
 OR { 5439}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 OR { 5439}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 ASSI { 5440}
   (( segid PTB  and resid   80 and name HB  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.100     0.900     0.900 peak  5440 weight  0.10000E+01 volume  0.10768E+02 ppm1      4.317 ppm2      1.056
 OR { 5440}
   (( segid PTB  and resid  117 and name HA  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
 ASSI { 5472}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      3.300     2.200     2.200 peak  5472 weight  0.10000E+01 volume  0.62315E+00 ppm1      1.562 ppm2      0.634
 OR { 5472}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 OR { 5472}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 OR { 5472}
   (( segid PTB  and resid  128 and name HB2 ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 OR { 5472}
   (( segid PTB  and resid  138 and name HB1 ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
 ASSI { 5493}
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
   (( segid PTB  and resid  133 and name HA  ))
      3.300     2.200     2.200 peak  5493 weight  0.10000E+01 volume  0.66844E+00 ppm1      0.857 ppm2      4.504
 OR { 5493}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid  133 and name HA  ))
 ASSI { 5502}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid  180 and name HB1 ))
      3.100     1.900     1.900 peak  5502 weight  0.10000E+01 volume  0.94153E+00 ppm1      1.828 ppm2      2.620
 OR { 5502}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  180 and name HB1 ))
 ASSI { 5503}
   (( segid PTB  and resid  181 and name HD1 ))
   (( segid PTB  and resid  180 and name HB1 ))
      3.200     2.000     2.000 peak  5503 weight  0.10000E+01 volume  0.80441E+00 ppm1      1.733 ppm2      2.596
 OR { 5503}
   (( segid PTB  and resid  181 and name HD2 ))
   (( segid PTB  and resid  180 and name HB1 ))
 OR { 5503}
   (( segid PTB  and resid  118 and name HG2 ))
   (( segid PTB  and resid  180 and name HB1 ))
 ASSI { 5511}
   (( segid PTB  and resid  113 and name HG1 ))
   (( segid PTB  and resid  112 and name HA  ))
      3.400     2.300     2.100 peak  5511 weight  0.10000E+01 volume  0.53456E+00 ppm1      1.729 ppm2      4.278
 OR { 5511}
   (( segid PTB  and resid  136 and name HD2 ))
   (( segid PTB  and resid  134 and name HA  ))
 OR { 5511}
   (( segid PTB  and resid  114 and name HB2 ))
   (( segid PTB  and resid  112 and name HA  ))
 OR { 5511}
   (( segid PTB  and resid  113 and name HG2 ))
   (( segid PTB  and resid  112 and name HA  ))
 ASSI { 5522}
   (( segid PTB  and resid   81 and name HB1 ))
   (( segid PTB  and resid  123 and name HA  ))
      3.100     1.900     1.900 peak  5522 weight  0.10000E+01 volume  0.10166E+01 ppm1      3.072 ppm2      4.365
 OR { 5522}
   (( segid PTB  and resid  164 and name HB1 ))
   (( segid PTB  and resid  169 and name HA  ))
 OR { 5522}
   (( segid PTB  and resid   82 and name HB1 ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 5529}
   (( segid PTB  and resid  136 and name HA  ))
   (( segid PTB  and resid  135 and name HA  ))
      3.200     2.000     2.000 peak  5529 weight  0.10000E+01 volume  0.81737E+00 ppm1      4.133 ppm2      4.394
 OR { 5529}
   (( segid PTB  and resid  137 and name HA1 ))
   (( segid PTB  and resid  135 and name HA  ))
 ASSI { 5530}
   (( segid PTB  and resid  204 and name HG2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      2.600     1.400     1.400 peak  5530 weight  0.10000E+01 volume  0.29198E+01 ppm1      1.708 ppm2      1.252
 OR { 5530}
   (( segid PTB  and resid  207 and name HG2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 5530}
   (( segid PTB  and resid  205 and name HG1 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 5530}
   (( segid PTB  and resid  207 and name HG1 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 OR { 5530}
   (( segid PTB  and resid  205 and name HG2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 ASSI { 5538}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  136 and name HB2 ))
      3.100     1.900     1.900 peak  5538 weight  0.10000E+01 volume  0.10018E+01 ppm1      1.579 ppm2      2.201
 OR { 5538}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  111 and name HB1 ))
 ASSI { 5542}
   (( segid PTB  and resid  111 and name HG1 ))
   (( segid PTB  and resid  107 and name HG2 ))
      3.300     2.200     2.200 peak  5542 weight  0.10000E+01 volume  0.67290E+00 ppm1      2.623 ppm2      1.316
 OR { 5542}
   (( segid PTB  and resid  111 and name HG1 ))
   (( segid PTB  and resid  107 and name HG1 ))
 OR { 5542}
   (( segid PTB  and resid  172 and name HB2 ))
   (( segid PTB  and resid   97 and name HG2 ))
 ASSI { 5547}
   (( segid PTB  and resid  140 and name HA  ))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
      3.300     2.200     2.200 peak  5547 weight  0.10000E+01 volume  0.65042E+00 ppm1      4.118 ppm2      0.993
 OR { 5547}
   (( segid PTB  and resid   89 and name HA1 ))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
 ASSI { 5556}
   (( segid PTB  and resid  138 and name HG  ))
   (( segid PTB  and resid  139 and name HA  ))
      3.100     1.900     1.900 peak  5556 weight  0.10000E+01 volume  0.96888E+00 ppm1      1.469 ppm2      4.315
 OR { 5556}
   (( segid PTB  and resid  138 and name HB1 ))
   (( segid PTB  and resid  139 and name HA  ))
 OR { 5556}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid  123 and name HA  ))
 ASSI { 5558}
   (( segid PTB  and resid  128 and name HG  ))
   (( segid PTB  and resid  123 and name HA  ))
      3.000     1.800     1.800 peak  5558 weight  0.10000E+01 volume  0.10920E+01 ppm1      1.556 ppm2      4.300
 OR { 5558}
   (( segid PTB  and resid  128 and name HB2 ))
   (( segid PTB  and resid  123 and name HA  ))
 OR { 5558}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  117 and name HA  ))
 OR { 5558}
   (( segid PTB  and resid  138 and name HB1 ))
   (( segid PTB  and resid  139 and name HA  ))
 ASSI { 5564}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.400     1.200     1.200 peak  5564 weight  0.10000E+01 volume  0.45982E+01 ppm1      0.641 ppm2      0.959
 OR { 5564}
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 OR { 5564}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
 ASSI { 5566}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      3.000     1.800     1.800 peak  5566 weight  0.10000E+01 volume  0.10626E+01 ppm1      2.210 ppm2      0.998
 OR { 5566}
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 5566}
   (( segid PTB  and resid  173 and name HG2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 5566}
   (( segid PTB  and resid   99 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 5566}
   (( segid PTB  and resid  173 and name HG1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 OR { 5566}
   (( segid PTB  and resid   95 and name HG1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 5574}
   (( segid PTB  and resid  139 and name HA  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      3.200     2.000     2.000 peak  5574 weight  0.10000E+01 volume  0.74227E+00 ppm1      4.295 ppm2      0.609
 OR { 5574}
   (( segid PTB  and resid  169 and name HB  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
 ASSI { 5580}
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
   (( segid PTB  and resid  150 and name HA  ))
      3.100     1.900     1.900 peak  5580 weight  0.10000E+01 volume  0.92422E+00 ppm1      0.607 ppm2      5.380
 OR { 5580}
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
   (( segid PTB  and resid  161 and name HA  ))
 OR { 5580}
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
   (( segid PTB  and resid  161 and name HA  ))
 OR { 5580}
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
   (( segid PTB  and resid  161 and name HA  ))
 OR { 5580}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid  161 and name HA  ))
 OR { 5580}
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
   (( segid PTB  and resid  150 and name HA  ))
 ASSI { 5586}
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.200     2.000     2.000 peak  5586 weight  0.10000E+01 volume  0.81834E+00 ppm1      0.637 ppm2      1.585
 OR { 5586}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid  178 and name HG  ))
 ASSI { 5587}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid  178 and name HG  ))
      3.300     2.200     2.200 peak  5587 weight  0.10000E+01 volume  0.62302E+00 ppm1      1.850 ppm2      1.578
 OR { 5587}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  178 and name HG  ))
 OR { 5587}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  178 and name HG  ))
 OR { 5587}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  178 and name HG  ))
 OR { 5587}
   (( segid PTB  and resid  158 and name HG1 ))
   (( segid PTB  and resid  178 and name HG  ))
 OR { 5587}
   (( segid PTB  and resid  154 and name HG2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 OR { 5587}
   (( segid PTB  and resid  154 and name HB1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 ASSI { 5588}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.000     1.800     1.800 peak  5588 weight  0.10000E+01 volume  0.10704E+01 ppm1      1.767 ppm2      1.581
 OR { 5588}
   (( segid PTB  and resid  163 and name HG11))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 ASSI { 5597}
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
   (( segid PTB  and resid  202 and name HA  ))
      2.500     1.300     1.300 peak  5597 weight  0.10000E+01 volume  0.37596E+01 ppm1      0.946 ppm2      4.117
 OR { 5597}
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
   (( segid PTB  and resid  199 and name HA  ))
 OR { 5597}
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
   (( segid PTB  and resid  199 and name HA  ))
 ASSI { 5635}
   (( segid PTB  and resid  125 and name HA1 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      3.300     2.200     2.200 peak  5635 weight  0.10000E+01 volume  0.68579E+00 ppm1      3.595 ppm2      0.900
 OR { 5635}
   (( segid PTB  and resid  195 and name HB2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 OR { 5635}
   (( segid PTB  and resid  194 and name HA  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 5657}
   (( segid PTB  and resid  104 and name HA  ))
   (( segid PTB  and resid  107 and name HG1 ))
      3.100     1.900     1.900 peak  5657 weight  0.10000E+01 volume  0.91004E+00 ppm1      4.041 ppm2      1.317
 OR { 5657}
   (( segid PTB  and resid  104 and name HA  ))
   (( segid PTB  and resid  107 and name HG2 ))
 OR { 5657}
   (( segid PTB  and resid  110 and name HA  ))
   (( segid PTB  and resid  107 and name HG2 ))
 OR { 5657}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  107 and name HG2 ))
 OR { 5657}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  107 and name HG1 ))
 ASSI { 5666}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      3.100     1.900     1.900 peak  5666 weight  0.10000E+01 volume  0.90000E+00 ppm1      2.241 ppm2      0.815
 OR { 5666}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 ASSI {   28}
   (( segid GPPY and resid 5    and name HB2 ))
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
      2.800     1.600     1.600 peak    28 weight  0.10000E+01 volume  0.42257E+00 ppm1      2.000 ppm2      7.042
 OR {   28}
   (( segid GPPY and resid 5    and name HB2 ))
   (( segid GPPY and resid 7    and name HN  ))
 ASSI {   21}
   (( segid GPPY and resid 3    and name HN  ))
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
      2.900     1.700     1.700 peak    21 weight  0.10000E+01 volume  0.82055E+00 ppm1      8.430 ppm2      1.409
 OR {   21}
   (( segid GPPY and resid 3    and name HN  ))
   (( segid GPPY and resid 3    and name HG11))
 ASSI {   69}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
      3.100     1.900     1.900 peak    69 weight  0.10000E+01 volume  0.61926E+00 ppm1      7.729 ppm2      1.432
 OR {   69}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HG11))
 OR {   69}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 7    and name HB1 ))
 ASSI {   73}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HG12))
      3.100     1.900     1.900 peak    73 weight  0.10000E+01 volume  0.57742E+00 ppm1      7.707 ppm2      1.836
 OR {   73}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 5    and name HG2 ))
 ASSI {   93}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid GPPY and resid 3    and name HG11))
      2.800     1.600     1.600 peak    93 weight  0.10000E+01 volume  0.10467E+01 ppm1      4.295 ppm2      1.394
 OR {   93}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
 ASSI {  110}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid GPPY and resid 5    and name HD2 ))
      2.900     1.700     1.700 peak   110 weight  0.10000E+01 volume  0.88262E+00 ppm1      4.309 ppm2      2.555
 OR {  110}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid GPPY and resid 4    and name HA1 ))
 ASSI {  111}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 4    and name HA1 ))
      3.100     1.900     1.900 peak   111 weight  0.10000E+01 volume  0.62560E+00 ppm1      4.296 ppm2      2.489
 OR {  111}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid GPPY and resid 4    and name HA1 ))
 ASSI {  112}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 5    and name HD2 ))
      3.000     1.800     1.800 peak   112 weight  0.10000E+01 volume  0.69388E+00 ppm1      4.259 ppm2      2.556
 OR {  112}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 4    and name HA1 ))
 ASSI {  139}
   (( segid GPPY and resid 3    and name HG11))
   (( segid GPPY and resid 2    and name HB1 ))
      3.000     1.800     1.800 peak   139 weight  0.10000E+01 volume  0.71099E+00 ppm1      1.431 ppm2      3.047
 OR {  139}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 2    and name HB1 ))
 ASSI {    1}
   (( segid PTB  and resid   72 and name N   ))
   (( segid PTB  and resid   68 and name O   ))
      3.000     0.200     0.200 peak     1 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    2}
   (( segid PTB  and resid   72 and name N   ))
   (( segid PTB  and resid   68 and name C   ))
      4.100     0.300     0.300 peak     2 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    3}
   (( segid PTB  and resid   73 and name N   ))
   (( segid PTB  and resid   69 and name O   ))
      3.000     0.200     0.200 peak     3 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    4}
   (( segid PTB  and resid   73 and name N   ))
   (( segid PTB  and resid   69 and name C   ))
      4.100     0.300     0.300 peak     4 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    5}
   (( segid PTB  and resid   78 and name N   ))
   (( segid PTB  and resid   74 and name O   ))
      3.000     0.200     0.200 peak     5 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    6}
   (( segid PTB  and resid   78 and name N   ))
   (( segid PTB  and resid   74 and name C   ))
      4.100     0.300     0.300 peak     6 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    7}
   (( segid PTB  and resid   79 and name N   ))
   (( segid PTB  and resid   75 and name O   ))
      3.000     0.200     0.200 peak     7 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    8}
   (( segid PTB  and resid   79 and name N   ))
   (( segid PTB  and resid   75 and name C   ))
      4.100     0.300     0.300 peak     8 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {    9}
   (( segid PTB  and resid   83 and name N   ))
   (( segid PTB  and resid  121 and name O   ))
      3.000     0.200     0.200 peak     9 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   10}
   (( segid PTB  and resid   83 and name N   ))
   (( segid PTB  and resid  121 and name C   ))
      4.100     0.300     0.300 peak    10 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   11}
   (( segid PTB  and resid   85 and name N   ))
   (( segid PTB  and resid  119 and name O   ))
      3.000     0.200     0.200 peak    11 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   12}
   (( segid PTB  and resid   85 and name N   ))
   (( segid PTB  and resid  119 and name C   ))
      4.100     0.300     0.300 peak    12 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   13}
   (( segid PTB  and resid   86 and name N   ))
   (( segid PTB  and resid  178 and name O   ))
      3.000     0.200     0.200 peak    13 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   14}
   (( segid PTB  and resid   86 and name N   ))
   (( segid PTB  and resid  178 and name C   ))
      4.100     0.300     0.300 peak    14 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   15}
   (( segid PTB  and resid   88 and name N   ))
   (( segid PTB  and resid  176 and name O   ))
      3.000     0.200     0.200 peak    15 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   16}
   (( segid PTB  and resid   88 and name N   ))
   (( segid PTB  and resid  176 and name C   ))
      4.100     0.300     0.300 peak    16 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   17}
   (( segid PTB  and resid   91 and name N   ))
   (( segid PTB  and resid  174 and name O   ))
      3.000     0.200     0.200 peak    17 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   18}
   (( segid PTB  and resid   91 and name N   ))
   (( segid PTB  and resid  174 and name C   ))
      4.100     0.300     0.300 peak    18 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   19}
   (( segid PTB  and resid  106 and name N   ))
   (( segid PTB  and resid  102 and name O   ))
      3.000     0.200     0.200 peak    19 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   20}
   (( segid PTB  and resid  106 and name N   ))
   (( segid PTB  and resid  102 and name C   ))
      4.100     0.300     0.300 peak    20 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   21}
   (( segid PTB  and resid  108 and name N   ))
   (( segid PTB  and resid  104 and name O   ))
      3.000     0.200     0.200 peak    21 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   22}
   (( segid PTB  and resid  108 and name N   ))
   (( segid PTB  and resid  104 and name C   ))
      4.100     0.300     0.300 peak    22 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   23}
   (( segid PTB  and resid  111 and name N   ))
   (( segid PTB  and resid  107 and name O   ))
      3.000     0.200     0.200 peak    23 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   24}
   (( segid PTB  and resid  111 and name N   ))
   (( segid PTB  and resid  107 and name C   ))
      4.100     0.300     0.300 peak    24 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   25}
   (( segid PTB  and resid  112 and name N   ))
   (( segid PTB  and resid  108 and name O   ))
      3.000     0.200     0.200 peak    25 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   26}
   (( segid PTB  and resid  112 and name N   ))
   (( segid PTB  and resid  108 and name C   ))
      4.100     0.300     0.300 peak    26 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   27}
   (( segid PTB  and resid  120 and name N   ))
   (( segid PTB  and resid  131 and name O   ))
      3.000     0.200     0.200 peak    27 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   28}
   (( segid PTB  and resid  120 and name N   ))
   (( segid PTB  and resid  131 and name C   ))
      4.100     0.300     0.300 peak    28 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   29}
   (( segid PTB  and resid  121 and name N   ))
   (( segid PTB  and resid   83 and name O   ))
      3.000     0.200     0.200 peak    29 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   30}
   (( segid PTB  and resid  121 and name N   ))
   (( segid PTB  and resid   83 and name C   ))
      4.100     0.300     0.300 peak    30 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   31}
   (( segid PTB  and resid  122 and name N   ))
   (( segid PTB  and resid  129 and name O   ))
      3.000     0.200     0.200 peak    31 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   32}
   (( segid PTB  and resid  122 and name N   ))
   (( segid PTB  and resid  129 and name C   ))
      4.100     0.300     0.300 peak    32 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   33}
   (( segid PTB  and resid  131 and name N   ))
   (( segid PTB  and resid  120 and name O   ))
      3.000     0.200     0.200 peak    33 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   34}
   (( segid PTB  and resid  131 and name N   ))
   (( segid PTB  and resid  120 and name C   ))
      4.100     0.300     0.300 peak    34 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   35}
   (( segid PTB  and resid  133 and name N   ))
   (( segid PTB  and resid  118 and name O   ))
      3.000     0.200     0.200 peak    35 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   36}
   (( segid PTB  and resid  133 and name N   ))
   (( segid PTB  and resid  118 and name C   ))
      4.100     0.300     0.300 peak    36 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   37}
   (( segid PTB  and resid  139 and name N   ))
   (( segid PTB  and resid  130 and name O   ))
      3.000     0.200     0.200 peak    37 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   38}
   (( segid PTB  and resid  139 and name N   ))
   (( segid PTB  and resid  130 and name C   ))
      4.100     0.300     0.300 peak    38 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   39}
   (( segid PTB  and resid  162 and name N   ))
   (( segid PTB  and resid  175 and name O   ))
      3.000     0.200     0.200 peak    39 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   40}
   (( segid PTB  and resid  162 and name N   ))
   (( segid PTB  and resid  175 and name C   ))
      4.100     0.300     0.300 peak    40 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   41}
   (( segid PTB  and resid  164 and name N   ))
   (( segid PTB  and resid  173 and name O   ))
      3.000     0.200     0.200 peak    41 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   42}
   (( segid PTB  and resid  164 and name N   ))
   (( segid PTB  and resid  173 and name C   ))
      4.100     0.300     0.300 peak    42 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   43}
   (( segid PTB  and resid  174 and name N   ))
   (( segid PTB  and resid   91 and name O   ))
      3.000     0.200     0.200 peak    43 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   44}
   (( segid PTB  and resid  174 and name N   ))
   (( segid PTB  and resid   91 and name C   ))
      4.100     0.300     0.300 peak    44 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   45}
   (( segid PTB  and resid  175 and name N   ))
   (( segid PTB  and resid  162 and name O   ))
      3.000     0.200     0.200 peak    45 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   46}
   (( segid PTB  and resid  175 and name N   ))
   (( segid PTB  and resid  162 and name C   ))
      4.100     0.300     0.300 peak    46 weight  0.10000E+01 volume  0.00000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI {   92}
   (( segid GPPY and resid 3    and name HG12))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      4.100     3.400     1.400 peak    92 weight  0.10000E+01 volume  0.14918E+01 ppm1      0.945 ppm2      1.858
 ASSI {   93}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      3.600     2.600     1.900 peak    93 weight  0.10000E+01 volume  0.35495E+01 ppm1      0.947 ppm2      1.057
 ASSI {   94}
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      3.700     2.700     1.800 peak    94 weight  0.10000E+01 volume  0.25953E+01 ppm1      0.944 ppm2      0.851
 OR {   94}
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI {  102}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      3.600     2.600     1.900 peak   102 weight  0.10000E+01 volume  0.31831E+01 ppm1      0.953 ppm2      4.295
 ASSI {  118}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      3.300     2.200     2.200 peak   118 weight  0.10000E+01 volume  0.52980E+01 ppm1      0.952 ppm2      4.292
 ASSI {  121}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      4.000     3.200     1.500 peak   121 weight  0.10000E+01 volume  0.18564E+01 ppm1      0.957 ppm2      1.059
 ASSI {  132}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.200     2.000     2.000 peak   132 weight  0.10000E+01 volume  0.61244E+01 ppm1      1.574 ppm2      1.459
 ASSI {  143}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      4.200     3.500     1.300 peak   143 weight  0.10000E+01 volume  0.12384E+01 ppm1      1.249 ppm2      4.304
 ASSI {  147}
   (( segid GPPY and resid 3    and name HG21)
     OR 
    ( segid GPPY and resid 3    and name HG23)
     OR 
    ( segid GPPY and resid 3    and name HG22))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      3.500     2.500     2.000 peak   147 weight  0.10000E+01 volume  0.38600E+01 ppm1      1.249 ppm2      1.156
 ASSI {  219}
   (( segid GPPY and resid 2    and name HB2 ))
   (( segid PTB  and resid  202 and name HE1 ))
      3.400     2.300     2.100 peak   219 weight  0.10000E+01 volume  0.44663E+01 ppm1      3.010 ppm2      3.122
 OR {  219}
   (( segid GPPY and resid 2    and name HB2 ))
   (( segid PTB  and resid  202 and name HE2 ))
 ASSI {  340}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HA  ))
      3.800     2.900     1.700 peak   340 weight  0.10000E+01 volume  0.23704E+01 ppm1      4.231 ppm2      4.111
 ASSI {  341}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid PTB  and resid   99 and name HG2 ))
      4.200     3.500     1.300 peak   341 weight  0.10000E+01 volume  0.12376E+01 ppm1      2.880 ppm2      1.443
 ASSI {   21}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HD2 ))
      3.400     2.300     2.100 peak    21 weight  0.10000E+01 volume  0.10904E+01 ppm1      8.984 ppm2      3.265
 OR {   21}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HD1 ))
 ASSI {   22}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  117 and name HB  ))
      3.400     2.300     2.100 peak    22 weight  0.10000E+01 volume  0.97450E+00 ppm1      8.983 ppm2      2.128
 ASSI {   31}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HG2 ))
      2.700     1.500     1.500 peak    31 weight  0.10000E+01 volume  0.37762E+01 ppm1      8.979 ppm2      1.690
 OR {   31}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI {   41}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      3.400     2.300     2.100 peak    41 weight  0.10000E+01 volume  0.98320E+00 ppm1      8.729 ppm2      0.979
 ASSI {   43}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HA  ))
      3.400     2.300     2.100 peak    43 weight  0.10000E+01 volume  0.10405E+01 ppm1      9.704 ppm2      4.734
 ASSI {   44}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      3.400     2.300     2.100 peak    44 weight  0.10000E+01 volume  0.10787E+01 ppm1      9.711 ppm2      0.804
 ASSI {   51}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  178 and name HB1 ))
      3.300     2.200     2.200 peak    51 weight  0.10000E+01 volume  0.12812E+01 ppm1      9.696 ppm2      1.370
 ASSI {   53}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  171 and name HN  ))
      3.400     2.300     2.100 peak    53 weight  0.10000E+01 volume  0.10519E+01 ppm1      8.737 ppm2      7.323
 ASSI {   54}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  172 and name HA  ))
      3.400     2.300     2.100 peak    54 weight  0.10000E+01 volume  0.10212E+01 ppm1      8.741 ppm2      5.272
 ASSI {   59}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  166 and name HB1 ))
      2.800     1.600     1.600 peak    59 weight  0.10000E+01 volume  0.30730E+01 ppm1      8.733 ppm2      2.783
 ASSI {   62}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid   96 and name HB2 ))
      3.200     2.000     2.000 peak    62 weight  0.10000E+01 volume  0.14154E+01 ppm1      8.733 ppm2      1.526
 ASSI {   69}
   (( segid PTB  and resid   69 and name HE1 ))
   (( segid PTB  and resid   69 and name HA  ))
      2.700     2.700     1.800 peak    69 weight  0.10000E+01 volume  0.40253E+01 ppm1     10.229 ppm2      4.733
 ASSI {   71}
   (( segid PTB  and resid   69 and name HE1 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.300     2.200     2.200 peak    71 weight  0.10000E+01 volume  0.11828E+01 ppm1     10.223 ppm2      1.431
 ASSI {   74}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.500     2.500     2.000 peak    74 weight  0.10000E+01 volume  0.91910E+00 ppm1      9.711 ppm2      7.350
 ASSI {   75}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      3.300     2.200     2.200 peak    75 weight  0.10000E+01 volume  0.11925E+01 ppm1      8.903 ppm2      0.996
 ASSI {   82}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  131 and name HB  ))
      3.200     2.000     2.000 peak    82 weight  0.10000E+01 volume  0.13396E+01 ppm1      8.891 ppm2      1.908
 ASSI {   85}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  165 and name HN  ))
      3.500     2.500     2.000 peak    85 weight  0.10000E+01 volume  0.92560E+00 ppm1      8.746 ppm2      8.262
 ASSI {  105}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  120 and name HB2 ))
      3.200     2.000     2.000 peak   105 weight  0.10000E+01 volume  0.15970E+01 ppm1      8.731 ppm2      1.538
 OR {  105}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  120 and name HB1 ))
 ASSI {  123}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid  172 and name HH2 ))
      3.100     1.900     1.900 peak   123 weight  0.10000E+01 volume  0.17211E+01 ppm1     10.020 ppm2      7.253
 ASSI {  124}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid  172 and name HD1 ))
      1.900     0.700     0.700 peak   124 weight  0.10000E+01 volume  0.32710E+02 ppm1     10.021 ppm2      6.886
 ASSI {  131}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid  100 and name HN  ))
      3.400     2.300     2.100 peak   131 weight  0.10000E+01 volume  0.95850E+00 ppm1      9.126 ppm2      8.819
 ASSI {  132}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  157 and name HA  ))
      3.300     2.200     2.200 peak   132 weight  0.10000E+01 volume  0.11712E+01 ppm1      9.130 ppm2      4.426
 ASSI {  135}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   99 and name HA  ))
      3.400     2.300     2.100 peak   135 weight  0.10000E+01 volume  0.10067E+01 ppm1      9.112 ppm2      4.017
 ASSI {  136}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  158 and name HD1 ))
      3.000     1.800     1.800 peak   136 weight  0.10000E+01 volume  0.22161E+01 ppm1      9.111 ppm2      3.231
 OR {  136}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  158 and name HD2 ))
 ASSI {  138}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   99 and name HB2 ))
      2.800     1.600     1.600 peak   138 weight  0.10000E+01 volume  0.32481E+01 ppm1      9.107 ppm2      2.151
 OR {  138}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   99 and name HB1 ))
 ASSI {  140}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  121 and name HA  ))
      3.400     2.300     2.100 peak   140 weight  0.10000E+01 volume  0.97140E+00 ppm1      8.725 ppm2      5.084
 ASSI {  154}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.700     1.500     1.500 peak   154 weight  0.10000E+01 volume  0.41413E+01 ppm1      9.813 ppm2      0.631
 ASSI {  156}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  156 and name HA  ))
      2.800     1.600     1.600 peak   156 weight  0.10000E+01 volume  0.35463E+01 ppm1      9.120 ppm2      4.560
 ASSI {  157}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  157 and name HG2 ))
      3.300     2.200     2.200 peak   157 weight  0.10000E+01 volume  0.12062E+01 ppm1      9.109 ppm2      2.366
 OR {  157}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  157 and name HG1 ))
 ASSI {  158}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   93 and name HN  ))
      3.300     2.200     2.200 peak   158 weight  0.10000E+01 volume  0.13292E+01 ppm1      8.420 ppm2      8.271
 ASSI {  165}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  122 and name HD2 ))
      3.200     2.000     2.000 peak   165 weight  0.10000E+01 volume  0.14514E+01 ppm1      9.816 ppm2      6.671
 ASSI {  167}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  122 and name HA  ))
      3.100     1.900     1.900 peak   167 weight  0.10000E+01 volume  0.17695E+01 ppm1      9.815 ppm2      4.952
 ASSI {  175}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  132 and name HB1 ))
      3.400     2.300     2.100 peak   175 weight  0.10000E+01 volume  0.10791E+01 ppm1      9.129 ppm2      2.972
 ASSI {  177}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      3.200     2.000     2.000 peak   177 weight  0.10000E+01 volume  0.15925E+01 ppm1      9.118 ppm2      1.022
 ASSI {  178}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  120 and name HN  ))
      3.300     2.200     2.200 peak   178 weight  0.10000E+01 volume  0.12288E+01 ppm1      9.118 ppm2      8.559
 ASSI {  180}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  142 and name HN  ))
      3.300     2.200     2.200 peak   180 weight  0.10000E+01 volume  0.12978E+01 ppm1      8.682 ppm2      8.817
 ASSI {  182}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  140 and name HN  ))
      3.200     2.000     2.000 peak   182 weight  0.10000E+01 volume  0.13930E+01 ppm1      8.692 ppm2      7.260
 ASSI {  195}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
      3.300     2.200     2.200 peak   195 weight  0.10000E+01 volume  0.11681E+01 ppm1      8.353 ppm2      6.586
 ASSI {  212}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  113 and name HD2 ))
      3.300     2.200     2.200 peak   212 weight  0.10000E+01 volume  0.11271E+01 ppm1      8.653 ppm2      3.228
 OR {  212}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  113 and name HD1 ))
 ASSI {  216}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
      3.400     2.300     2.100 peak   216 weight  0.10000E+01 volume  0.97240E+00 ppm1      8.084 ppm2      7.056
 ASSI {  220}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  144 and name HA  ))
      3.400     2.300     2.100 peak   220 weight  0.10000E+01 volume  0.10653E+01 ppm1      8.076 ppm2      3.908
 ASSI {  221}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      3.200     2.000     2.000 peak   221 weight  0.10000E+01 volume  0.13364E+01 ppm1      8.070 ppm2      0.940
 ASSI {  236}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  103 and name HG2 ))
      3.300     2.200     2.200 peak   236 weight  0.10000E+01 volume  0.11752E+01 ppm1      8.908 ppm2      2.574
 ASSI {  237}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      3.300     2.200     2.200 peak   237 weight  0.10000E+01 volume  0.11321E+01 ppm1      8.900 ppm2      2.191
 ASSI {  238}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HB2 ))
      2.600     1.400     1.400 peak   238 weight  0.10000E+01 volume  0.51648E+01 ppm1      8.908 ppm2      1.806
 OR {  238}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HB1 ))
 OR {  238}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HG2 ))
 ASSI {  247}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  155 and name HA  ))
      2.600     2.600     1.900 peak   247 weight  0.10000E+01 volume  0.56432E+01 ppm1      8.909 ppm2      4.738
 ASSI {  265}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  138 and name HG  ))
      3.300     2.200     2.200 peak   265 weight  0.10000E+01 volume  0.11774E+01 ppm1      8.795 ppm2      1.506
 OR {  265}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  138 and name HB1 ))
 ASSI {  272}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  193 and name HA  ))
      3.000     1.800     1.800 peak   272 weight  0.10000E+01 volume  0.19867E+01 ppm1      7.544 ppm2      3.980
 ASSI {  281}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
      3.200     2.000     2.000 peak   281 weight  0.10000E+01 volume  0.14008E+01 ppm1      8.804 ppm2      0.974
 ASSI {  287}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
      2.800     1.600     1.600 peak   287 weight  0.10000E+01 volume  0.30358E+01 ppm1      7.543 ppm2      3.007
 ASSI {  289}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      3.400     2.300     2.100 peak   289 weight  0.10000E+01 volume  0.94780E+00 ppm1      7.531 ppm2      0.287
 ASSI {  293}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   86 and name HN  ))
      3.400     2.300     2.100 peak   293 weight  0.10000E+01 volume  0.10848E+01 ppm1      9.667 ppm2      9.156
 ASSI {  301}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid  117 and name HB  ))
      3.100     1.900     1.900 peak   301 weight  0.10000E+01 volume  0.18809E+01 ppm1      9.667 ppm2      2.149
 ASSI {  303}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      3.300     2.200     2.200 peak   303 weight  0.10000E+01 volume  0.12435E+01 ppm1      9.661 ppm2      1.162
 ASSI {  304}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      3.400     2.300     2.100 peak   304 weight  0.10000E+01 volume  0.10677E+01 ppm1      9.671 ppm2      0.911
 OR {  304}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 ASSI {  313}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HG1 ))
      3.000     1.800     1.800 peak   313 weight  0.10000E+01 volume  0.22946E+01 ppm1      8.807 ppm2      1.662
 OR {  313}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HG2 ))
 OR {  313}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HB2 ))
 ASSI {  321}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.500     1.300     1.300 peak   321 weight  0.10000E+01 volume  0.60367E+01 ppm1      8.737 ppm2      1.348
 ASSI {  325}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   81 and name HN  ))
      3.200     2.000     2.000 peak   325 weight  0.10000E+01 volume  0.15824E+01 ppm1      8.008 ppm2      7.440
 ASSI {  326}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   81 and name HB2 ))
      3.000     1.800     1.800 peak   326 weight  0.10000E+01 volume  0.21178E+01 ppm1      8.011 ppm2      2.200
 ASSI {  327}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.800     1.600     1.600 peak   327 weight  0.10000E+01 volume  0.33300E+01 ppm1      8.009 ppm2      1.335
 ASSI {  342}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  187 and name HG  ))
      3.500     2.500     2.000 peak   342 weight  0.10000E+01 volume  0.91480E+00 ppm1      9.059 ppm2      1.242
 ASSI {  348}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid  124 and name HA  ))
      3.400     2.300     2.100 peak   348 weight  0.10000E+01 volume  0.97080E+00 ppm1      8.095 ppm2      5.168
 ASSI {  350}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   79 and name HN  ))
      3.500     2.500     2.000 peak   350 weight  0.10000E+01 volume  0.90770E+00 ppm1      7.433 ppm2      8.113
 ASSI {  357}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid  123 and name HB  ))
      3.400     2.300     2.100 peak   357 weight  0.10000E+01 volume  0.96390E+00 ppm1      7.438 ppm2      1.800
 ASSI {  362}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      3.000     1.800     1.800 peak   362 weight  0.10000E+01 volume  0.20228E+01 ppm1      7.433 ppm2      1.072
 ASSI {  373}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  120 and name HB1 ))
      3.100     1.900     1.900 peak   373 weight  0.10000E+01 volume  0.17492E+01 ppm1      9.055 ppm2      1.536
 OR {  373}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  120 and name HB2 ))
 ASSI {  385}
   (( segid PTB  and resid  210 and name HN  ))
   (( segid PTB  and resid  210 and name HA  ))
      3.000     1.800     1.800 peak   385 weight  0.10000E+01 volume  0.23091E+01 ppm1      8.204 ppm2      4.420
 ASSI {  396}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid   76 and name HA  ))
      3.300     2.200     2.200 peak   396 weight  0.10000E+01 volume  0.12689E+01 ppm1      8.088 ppm2      3.689
 ASSI {  401}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   85 and name HN  ))
      3.400     2.300     2.100 peak   401 weight  0.10000E+01 volume  0.97210E+00 ppm1      9.068 ppm2      9.202
 ASSI {  403}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  139 and name HN  ))
      3.200     2.000     2.000 peak   403 weight  0.10000E+01 volume  0.13430E+01 ppm1      8.436 ppm2      8.814
 ASSI {  414}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
      3.100     1.900     1.900 peak   414 weight  0.10000E+01 volume  0.16294E+01 ppm1      8.319 ppm2      4.292
 ASSI {  418}
   (( segid PTB  and resid  210 and name HN  ))
   (( segid PTB  and resid  209 and name HA  ))
      3.200     2.000     2.000 peak   418 weight  0.10000E+01 volume  0.15398E+01 ppm1      8.205 ppm2      4.319
 ASSI {  423}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  174 and name HB2 ))
      3.100     1.900     1.900 peak   423 weight  0.10000E+01 volume  0.18886E+01 ppm1      9.183 ppm2      2.505
 OR {  423}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  174 and name HB1 ))
 ASSI {  424}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  173 and name HG2 ))
      3.300     2.200     2.200 peak   424 weight  0.10000E+01 volume  0.11891E+01 ppm1      9.182 ppm2      2.144
 OR {  424}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  173 and name HG1 ))
 ASSI {  425}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.000     1.800     1.800 peak   425 weight  0.10000E+01 volume  0.21298E+01 ppm1      9.180 ppm2      1.338
 ASSI {  434}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  172 and name HD1 ))
      3.000     1.800     1.800 peak   434 weight  0.10000E+01 volume  0.20303E+01 ppm1      8.689 ppm2      6.888
 OR {  434}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  172 and name HE3 ))
 ASSI {  451}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   72 and name HN  ))
      2.900     1.700     1.700 peak   451 weight  0.10000E+01 volume  0.25281E+01 ppm1      7.888 ppm2      8.258
 ASSI {  461}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   92 and name HA  ))
      3.300     2.200     2.200 peak   461 weight  0.10000E+01 volume  0.11797E+01 ppm1      9.178 ppm2      5.019
 ASSI {  463}
   (( segid PTB  and resid  207 and name HN  ))
   (( segid PTB  and resid  206 and name HN  ))
      3.100     1.900     1.900 peak   463 weight  0.10000E+01 volume  0.16511E+01 ppm1      8.206 ppm2      8.043
 ASSI {  464}
   (( segid PTB  and resid  207 and name HN  ))
   (( segid PTB  and resid  207 and name HG1 ))
      3.100     1.900     1.900 peak   464 weight  0.10000E+01 volume  0.17446E+01 ppm1      8.195 ppm2      1.676
 OR {  464}
   (( segid PTB  and resid  207 and name HN  ))
   (( segid PTB  and resid  207 and name HG2 ))
 ASSI {  471}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.400     2.300     2.100 peak   471 weight  0.10000E+01 volume  0.94490E+00 ppm1      7.865 ppm2      0.974
 ASSI {  484}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  104 and name HG1 ))
      2.800     1.600     1.600 peak   484 weight  0.10000E+01 volume  0.30806E+01 ppm1      7.616 ppm2      2.410
 OR {  484}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  104 and name HG2 ))
 ASSI {  485}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  104 and name HB1 ))
      2.400     1.200     1.200 peak   485 weight  0.10000E+01 volume  0.75821E+01 ppm1      7.617 ppm2      2.100
 OR {  485}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  104 and name HB2 ))
 ASSI {  487}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  106 and name HB1 ))
      3.400     2.300     2.100 peak   487 weight  0.10000E+01 volume  0.11075E+01 ppm1      7.621 ppm2      1.764
 ASSI {  504}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  189 and name HB1 ))
      3.200     2.000     2.000 peak   504 weight  0.10000E+01 volume  0.13564E+01 ppm1      7.366 ppm2      3.297
 ASSI {  509}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  188 and name HA  ))
      2.600     2.600     1.900 peak   509 weight  0.10000E+01 volume  0.46462E+01 ppm1      7.355 ppm2      4.730
 ASSI {  520}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  130 and name HA  ))
      3.300     2.200     2.200 peak   520 weight  0.10000E+01 volume  0.11185E+01 ppm1      8.570 ppm2      5.365
 ASSI {  521}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  133 and name HB2 ))
      3.400     2.300     2.100 peak   521 weight  0.10000E+01 volume  0.10297E+01 ppm1      8.548 ppm2      2.583
 OR {  521}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  133 and name HB1 ))
 ASSI {  526}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  141 and name HA  ))
      3.400     2.300     2.100 peak   526 weight  0.10000E+01 volume  0.10579E+01 ppm1      8.860 ppm2      4.921
 ASSI {  538}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  184 and name HA2 ))
      3.400     2.300     2.100 peak   538 weight  0.10000E+01 volume  0.95190E+00 ppm1      6.521 ppm2      3.523
 ASSI {  541}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      3.300     2.200     2.200 peak   541 weight  0.10000E+01 volume  0.12473E+01 ppm1      6.518 ppm2      0.255
 ASSI {  551}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   69 and name HA  ))
      2.600     2.600     1.900 peak   551 weight  0.10000E+01 volume  0.46868E+01 ppm1      8.377 ppm2      4.734
 ASSI {  553}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   70 and name HG2 ))
      3.100     1.900     1.900 peak   553 weight  0.10000E+01 volume  0.19128E+01 ppm1      8.375 ppm2      2.396
 OR {  553}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   70 and name HG1 ))
 ASSI {  562}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  185 and name HB2 ))
      3.400     2.300     2.100 peak   562 weight  0.10000E+01 volume  0.94090E+00 ppm1      6.529 ppm2      2.233
 OR {  562}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  185 and name HB1 ))
 ASSI {  564}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.300     2.200     2.200 peak   564 weight  0.10000E+01 volume  0.12978E+01 ppm1      6.513 ppm2      0.117
 ASSI {  569}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  188 and name HB2 ))
      3.400     2.300     2.100 peak   569 weight  0.10000E+01 volume  0.10808E+01 ppm1      7.690 ppm2      4.045
 OR {  569}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  188 and name HB1 ))
 ASSI {  573}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
      3.000     1.800     1.800 peak   573 weight  0.10000E+01 volume  0.20112E+01 ppm1      7.691 ppm2     -0.122
 ASSI {  583}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
      3.200     2.000     2.000 peak   583 weight  0.10000E+01 volume  0.15452E+01 ppm1      8.744 ppm2      7.047
 ASSI {  597}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  108 and name HA  ))
      3.200     2.000     2.000 peak   597 weight  0.10000E+01 volume  0.15162E+01 ppm1      8.555 ppm2      3.646
 ASSI {  602}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.800     1.600     1.600 peak   602 weight  0.10000E+01 volume  0.32407E+01 ppm1      8.557 ppm2      0.423
 ASSI {  605}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  126 and name HN  ))
      2.600     1.400     1.400 peak   605 weight  0.10000E+01 volume  0.45351E+01 ppm1      8.316 ppm2      7.939
 ASSI {  611}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  118 and name HN  ))
      3.400     2.300     2.100 peak   611 weight  0.10000E+01 volume  0.95370E+00 ppm1      8.034 ppm2      8.982
 ASSI {  612}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      3.000     1.800     1.800 peak   612 weight  0.10000E+01 volume  0.23362E+01 ppm1      8.036 ppm2      1.034
 ASSI {  615}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid   88 and name HA  ))
      3.300     2.200     2.200 peak   615 weight  0.10000E+01 volume  0.11754E+01 ppm1      8.028 ppm2      3.969
 ASSI {  641}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.800     1.600     1.600 peak   641 weight  0.10000E+01 volume  0.31606E+01 ppm1      8.569 ppm2      0.631
 ASSI {  642}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
      3.100     1.900     1.900 peak   642 weight  0.10000E+01 volume  0.16519E+01 ppm1      8.554 ppm2      4.299
 ASSI {  646}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  112 and name HB2 ))
      3.000     1.800     1.800 peak   646 weight  0.10000E+01 volume  0.20737E+01 ppm1      8.461 ppm2      3.993
 ASSI {  647}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  112 and name HN  ))
      3.200     2.000     2.000 peak   647 weight  0.10000E+01 volume  0.14621E+01 ppm1      8.457 ppm2      7.309
 ASSI {  654}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   68 and name HB1 ))
      3.400     2.300     2.100 peak   654 weight  0.10000E+01 volume  0.99390E+00 ppm1      8.329 ppm2      1.797
 ASSI {  659}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  124 and name HB1 ))
      3.100     1.900     1.900 peak   659 weight  0.10000E+01 volume  0.17158E+01 ppm1      8.321 ppm2      3.996
 OR {  659}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  124 and name HB2 ))
 ASSI {  665}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid   87 and name HD1 )
     OR 
    ( segid PTB  and resid   87 and name HD2 ))
      3.400     2.300     2.100 peak   665 weight  0.10000E+01 volume  0.10863E+01 ppm1      8.037 ppm2      6.448
 ASSI {  687}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  114 and name HD2 ))
      3.100     1.900     1.900 peak   687 weight  0.10000E+01 volume  0.18750E+01 ppm1      7.908 ppm2      3.164
 OR {  687}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  114 and name HD1 ))
 ASSI {  690}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
      3.400     2.300     2.100 peak   690 weight  0.10000E+01 volume  0.10401E+01 ppm1      7.732 ppm2      7.047
 OR {  690}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
 ASSI {  691}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  148 and name HN  ))
      3.400     2.300     2.100 peak   691 weight  0.10000E+01 volume  0.95610E+00 ppm1      7.717 ppm2      9.557
 ASSI {  700}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  195 and name HA  ))
      3.200     2.000     2.000 peak   700 weight  0.10000E+01 volume  0.14544E+01 ppm1      7.470 ppm2      4.300
 ASSI {  709}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  163 and name HB  ))
      3.400     2.300     2.100 peak   709 weight  0.10000E+01 volume  0.10384E+01 ppm1      9.683 ppm2      1.712
 ASSI {  714}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      3.000     1.800     1.800 peak   714 weight  0.10000E+01 volume  0.22935E+01 ppm1      9.563 ppm2      1.364
 ASSI {  717}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid   96 and name HB1 ))
      3.400     2.300     2.100 peak   717 weight  0.10000E+01 volume  0.97700E+00 ppm1      9.551 ppm2      2.875
 ASSI {  718}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      3.300     2.200     2.200 peak   718 weight  0.10000E+01 volume  0.13136E+01 ppm1      9.550 ppm2      0.937
 ASSI {  721}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   75 and name HA  ))
      3.200     2.000     2.000 peak   721 weight  0.10000E+01 volume  0.13638E+01 ppm1      8.587 ppm2      4.076
 ASSI {  729}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  115 and name HN  ))
      3.000     1.800     1.800 peak   729 weight  0.10000E+01 volume  0.22350E+01 ppm1      7.909 ppm2      8.657
 ASSI {  735}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  164 and name HB2 ))
      3.400     2.300     2.100 peak   735 weight  0.10000E+01 volume  0.97180E+00 ppm1      7.713 ppm2      3.049
 OR {  735}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  164 and name HB1 ))
 ASSI {  738}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  192 and name HA2 ))
      3.200     2.000     2.000 peak   738 weight  0.10000E+01 volume  0.14701E+01 ppm1      7.479 ppm2      2.736
 ASSI {  743}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.200     2.000     2.000 peak   743 weight  0.10000E+01 volume  0.13714E+01 ppm1      7.471 ppm2      1.433
 ASSI {  750}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  199 and name HB2 ))
      3.200     2.000     2.000 peak   750 weight  0.10000E+01 volume  0.14644E+01 ppm1      8.288 ppm2      1.637
 OR {  750}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  199 and name HB1 ))
 ASSI {  753}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  153 and name HA  ))
      3.200     2.000     2.000 peak   753 weight  0.10000E+01 volume  0.14946E+01 ppm1      8.255 ppm2      4.429
 ASSI {  757}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HB2 ))
      3.200     2.000     2.000 peak   757 weight  0.10000E+01 volume  0.13790E+01 ppm1      8.253 ppm2      1.344
 OR {  757}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HB1 ))
 ASSI {  758}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
      3.000     1.800     1.800 peak   758 weight  0.10000E+01 volume  0.20150E+01 ppm1      8.249 ppm2      1.123
 ASSI {  772}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   69 and name HD1 ))
      3.300     2.200     2.200 peak   772 weight  0.10000E+01 volume  0.11537E+01 ppm1      7.969 ppm2      6.969
 OR {  772}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   69 and name HE3 ))
 ASSI {  774}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   67 and name HA  ))
      3.200     2.000     2.000 peak   774 weight  0.10000E+01 volume  0.15236E+01 ppm1      7.971 ppm2      4.362
 ASSI {  776}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   69 and name HB2 ))
      3.000     1.800     1.800 peak   776 weight  0.10000E+01 volume  0.19839E+01 ppm1      7.968 ppm2      3.195
 ASSI {  779}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   70 and name HB2 ))
      2.300     1.100     1.100 peak   779 weight  0.10000E+01 volume  0.10387E+02 ppm1      7.967 ppm2      2.130
 ASSI {  780}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      3.000     1.800     1.800 peak   780 weight  0.10000E+01 volume  0.21103E+01 ppm1      7.970 ppm2      1.494
 ASSI {  788}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.800     1.600     1.600 peak   788 weight  0.10000E+01 volume  0.30965E+01 ppm1      9.186 ppm2      0.731
 ASSI {  789}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HN  ))
      3.100     1.900     1.900 peak   789 weight  0.10000E+01 volume  0.16378E+01 ppm1      9.137 ppm2      8.129
 ASSI {  799}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  202 and name HN  ))
      3.000     1.800     1.800 peak   799 weight  0.10000E+01 volume  0.20836E+01 ppm1      8.269 ppm2      8.007
 ASSI {  800}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HB1 ))
      2.800     1.600     1.600 peak   800 weight  0.10000E+01 volume  0.32139E+01 ppm1      8.272 ppm2      2.137
 ASSI {  823}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HB1 ))
      3.100     1.900     1.900 peak   823 weight  0.10000E+01 volume  0.18814E+01 ppm1      9.141 ppm2      2.670
 ASSI {  833}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  183 and name HA  ))
      3.000     1.800     1.800 peak   833 weight  0.10000E+01 volume  0.22164E+01 ppm1      8.662 ppm2      4.591
 ASSI {  839}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  181 and name HB1 ))
      3.300     2.200     2.200 peak   839 weight  0.10000E+01 volume  0.12520E+01 ppm1      8.656 ppm2      1.892
 OR {  839}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  181 and name HB2 ))
 ASSI {  848}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  157 and name HN  ))
      3.300     2.200     2.200 peak   848 weight  0.10000E+01 volume  0.12057E+01 ppm1      7.685 ppm2      9.155
 ASSI {  859}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  160 and name HB2 ))
      3.200     2.000     2.000 peak   859 weight  0.10000E+01 volume  0.15905E+01 ppm1      7.658 ppm2      2.349
 ASSI {  863}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  198 and name HA  ))
      2.700     1.500     1.500 peak   863 weight  0.10000E+01 volume  0.36463E+01 ppm1      8.281 ppm2      4.103
 ASSI {  866}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      3.300     2.200     2.200 peak   866 weight  0.10000E+01 volume  0.12576E+01 ppm1      8.281 ppm2      1.176
 ASSI {  868}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
      3.400     2.300     2.100 peak   868 weight  0.10000E+01 volume  0.95200E+00 ppm1      8.233 ppm2      0.554
 ASSI {  869}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  196 and name HA  ))
      3.400     2.300     2.100 peak   869 weight  0.10000E+01 volume  0.10183E+01 ppm1      8.217 ppm2      4.167
 ASSI {  884}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
      3.100     1.900     1.900 peak   884 weight  0.10000E+01 volume  0.18439E+01 ppm1      7.909 ppm2      4.473
 ASSI {  891}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  154 and name HN  ))
      3.400     2.300     2.100 peak   891 weight  0.10000E+01 volume  0.98470E+00 ppm1      7.694 ppm2      8.894
 ASSI {  892}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  162 and name HN  ))
      3.300     2.200     2.200 peak   892 weight  0.10000E+01 volume  0.12189E+01 ppm1      7.664 ppm2      8.137
 ASSI {  893}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  161 and name HB1 ))
      3.100     1.900     1.900 peak   893 weight  0.10000E+01 volume  0.17663E+01 ppm1      7.656 ppm2      3.670
 OR {  893}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  161 and name HB2 ))
 ASSI {  895}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
      3.400     2.300     2.100 peak   895 weight  0.10000E+01 volume  0.11045E+01 ppm1      7.647 ppm2      6.892
 ASSI {  898}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   68 and name HB1 ))
      3.100     1.900     1.900 peak   898 weight  0.10000E+01 volume  0.16997E+01 ppm1      8.577 ppm2      1.812
 ASSI {  909}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   72 and name HB2 ))
      3.200     2.000     2.000 peak   909 weight  0.10000E+01 volume  0.13939E+01 ppm1      7.907 ppm2      2.661
 ASSI {  913}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid   98 and name HA2 ))
      3.300     2.200     2.200 peak   913 weight  0.10000E+01 volume  0.11417E+01 ppm1      6.856 ppm2      4.267
 ASSI {  922}
   (( segid PTB  and resid   67 and name HN  ))
   (( segid PTB  and resid   67 and name HB2 ))
      3.400     2.300     2.100 peak   922 weight  0.10000E+01 volume  0.94580E+00 ppm1      8.348 ppm2      3.076
 ASSI {  928}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  180 and name HB1 ))
      2.900     1.700     1.700 peak   928 weight  0.10000E+01 volume  0.27327E+01 ppm1      8.258 ppm2      2.626
 ASSI {  929}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   85 and name HB  ))
      3.400     2.300     2.100 peak   929 weight  0.10000E+01 volume  0.10290E+01 ppm1      8.254 ppm2      2.400
 ASSI {  931}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      3.000     1.800     1.800 peak   931 weight  0.10000E+01 volume  0.23075E+01 ppm1      8.255 ppm2      0.921
 ASSI {  935}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   69 and name HA  ))
      2.600     1.400     1.400 peak   935 weight  0.10000E+01 volume  0.47338E+01 ppm1      7.951 ppm2      4.733
 ASSI {  947}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      3.400     2.300     2.100 peak   947 weight  0.10000E+01 volume  0.10844E+01 ppm1      9.173 ppm2      0.654
 ASSI {  953}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  150 and name HB2 ))
      2.900     1.700     1.700 peak   953 weight  0.10000E+01 volume  0.26243E+01 ppm1      8.570 ppm2      3.689
 ASSI {  955}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid GPPY and resid 4    and name HA1 ))
      3.300     2.200     2.200 peak   955 weight  0.10000E+01 volume  0.11401E+01 ppm1      8.557 ppm2      2.479
 ASSI {  956}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  101 and name HN  ))
      3.500     2.500     2.000 peak   956 weight  0.10000E+01 volume  0.92450E+00 ppm1      8.453 ppm2      6.852
 ASSI {  958}
   (( segid PTB  and resid   67 and name HN  ))
   (( segid PTB  and resid   67 and name HA  ))
      3.400     2.300     2.100 peak   958 weight  0.10000E+01 volume  0.95450E+00 ppm1      8.362 ppm2      4.377
 ASSI {  965}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  203 and name HB2 ))
      2.800     1.600     1.600 peak   965 weight  0.10000E+01 volume  0.30694E+01 ppm1      7.964 ppm2      2.177
 OR {  965}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  203 and name HB1 ))
 ASSI {  967}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HG2 ))
      2.900     1.700     1.700 peak   967 weight  0.10000E+01 volume  0.27222E+01 ppm1      7.952 ppm2      1.725
 OR {  967}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HG1 ))
 ASSI {  968}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      3.200     2.000     2.000 peak   968 weight  0.10000E+01 volume  0.14380E+01 ppm1      9.384 ppm2      0.742
 ASSI {  970}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   85 and name HN  ))
      3.400     2.300     2.100 peak   970 weight  0.10000E+01 volume  0.97880E+00 ppm1      9.379 ppm2      9.162
 ASSI {  976}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   83 and name HB2 ))
      3.400     2.300     2.100 peak   976 weight  0.10000E+01 volume  0.10867E+01 ppm1      9.381 ppm2      2.304
 ASSI {  977}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      3.400     2.300     2.100 peak   977 weight  0.10000E+01 volume  0.10717E+01 ppm1      9.374 ppm2      0.925
 OR {  977}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI {  980}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.100     1.900     1.900 peak   980 weight  0.10000E+01 volume  0.19276E+01 ppm1      8.904 ppm2      7.329
 ASSI {  983}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  177 and name HB1 ))
      3.200     2.000     2.000 peak   983 weight  0.10000E+01 volume  0.13747E+01 ppm1      8.909 ppm2      3.174
 ASSI {  988}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      3.200     2.000     2.000 peak   988 weight  0.10000E+01 volume  0.14843E+01 ppm1      8.905 ppm2      0.934
 ASSI {  989}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      3.400     2.300     2.100 peak   989 weight  0.10000E+01 volume  0.93460E+00 ppm1      8.906 ppm2      0.786
 ASSI {  991}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   88 and name HN  ))
      3.500     2.500     2.000 peak   991 weight  0.10000E+01 volume  0.92850E+00 ppm1      8.892 ppm2      8.347
 ASSI { 1006}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.600     1.400     1.400 peak  1006 weight  0.10000E+01 volume  0.53814E+01 ppm1      8.455 ppm2      2.198
 ASSI { 1023}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  103 and name HA  ))
      3.200     2.000     2.000 peak  1023 weight  0.10000E+01 volume  0.15746E+01 ppm1      8.177 ppm2      3.856
 ASSI { 1028}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.200     2.000     2.000 peak  1028 weight  0.10000E+01 volume  0.13691E+01 ppm1      8.174 ppm2      1.294
 ASSI { 1031}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
      3.400     2.300     2.100 peak  1031 weight  0.10000E+01 volume  0.96160E+00 ppm1      7.745 ppm2      6.896
 ASSI { 1041}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.900     1.700     1.700 peak  1041 weight  0.10000E+01 volume  0.27400E+01 ppm1      7.735 ppm2      0.274
 ASSI { 1044}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   73 and name HB2 ))
      3.400     2.300     2.100 peak  1044 weight  0.10000E+01 volume  0.10747E+01 ppm1      8.230 ppm2      2.271
 OR { 1044}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   73 and name HB1 ))
 ASSI { 1047}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      3.000     1.800     1.800 peak  1047 weight  0.10000E+01 volume  0.21855E+01 ppm1      8.198 ppm2      0.932
 ASSI { 1048}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  199 and name HG  ))
      3.100     1.900     1.900 peak  1048 weight  0.10000E+01 volume  0.19000E+01 ppm1      8.194 ppm2      1.814
 ASSI { 1053}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HN  ))
      2.700     1.500     1.500 peak  1053 weight  0.10000E+01 volume  0.37381E+01 ppm1      7.438 ppm2      7.552
 ASSI { 1061}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  201 and name HD2 ))
      3.300     2.200     2.200 peak  1061 weight  0.10000E+01 volume  0.11523E+01 ppm1      8.086 ppm2      3.180
 OR { 1061}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  201 and name HD1 ))
 ASSI { 1062}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
      3.000     1.800     1.800 peak  1062 weight  0.10000E+01 volume  0.21088E+01 ppm1      8.080 ppm2      0.557
 ASSI { 1066}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HG1 ))
      3.000     1.800     1.800 peak  1066 weight  0.10000E+01 volume  0.22593E+01 ppm1      8.074 ppm2      1.540
 OR { 1066}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HG2 ))
 ASSI { 1074}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HD2 ))
      3.100     1.900     1.900 peak  1074 weight  0.10000E+01 volume  0.16235E+01 ppm1      7.436 ppm2      1.581
 ASSI { 1080}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   85 and name HB  ))
      2.700     1.500     1.500 peak  1080 weight  0.10000E+01 volume  0.37191E+01 ppm1      9.164 ppm2      2.380
 ASSI { 1084}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HG1 ))
      3.400     2.300     2.100 peak  1084 weight  0.10000E+01 volume  0.97290E+00 ppm1      9.164 ppm2      1.203
 OR { 1084}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HG2 ))
 ASSI { 1094}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
      2.700     1.500     1.500 peak  1094 weight  0.10000E+01 volume  0.43610E+01 ppm1      8.077 ppm2      2.091
 ASSI { 1095}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  131 and name HA  ))
      3.500     2.500     2.000 peak  1095 weight  0.10000E+01 volume  0.91710E+00 ppm1      7.272 ppm2      4.865
 ASSI { 1102}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
      3.100     1.900     1.900 peak  1102 weight  0.10000E+01 volume  0.17429E+01 ppm1      7.270 ppm2      0.976
 ASSI { 1106}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  157 and name HG2 ))
      3.400     2.300     2.100 peak  1106 weight  0.10000E+01 volume  0.10280E+01 ppm1      9.867 ppm2      2.358
 OR { 1106}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  157 and name HG1 ))
 ASSI { 1117}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HD2 ))
      2.700     1.500     1.500 peak  1117 weight  0.10000E+01 volume  0.42368E+01 ppm1      7.547 ppm2      1.599
 ASSI { 1120}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
      3.100     1.900     1.900 peak  1120 weight  0.10000E+01 volume  0.18557E+01 ppm1      7.548 ppm2      0.858
 OR { 1120}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1131}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  157 and name HB1 ))
      3.300     2.200     2.200 peak  1131 weight  0.10000E+01 volume  0.11652E+01 ppm1      9.829 ppm2      2.152
 ASSI { 1133}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  102 and name HN  ))
      3.400     2.300     2.100 peak  1133 weight  0.10000E+01 volume  0.93930E+00 ppm1      8.879 ppm2      7.094
 ASSI { 1164}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  104 and name HG1 ))
      2.700     2.700     1.800 peak  1164 weight  0.10000E+01 volume  0.40907E+01 ppm1      7.123 ppm2      2.361
 ASSI { 1165}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      3.300     2.200     2.200 peak  1165 weight  0.10000E+01 volume  0.11217E+01 ppm1      7.119 ppm2      2.184
 OR { 1165}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid   99 and name HB2 ))
 ASSI { 1166}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.300     2.200     2.200 peak  1166 weight  0.10000E+01 volume  0.12331E+01 ppm1      7.117 ppm2      1.300
 ASSI { 1175}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
      3.300     2.200     2.200 peak  1175 weight  0.10000E+01 volume  0.11148E+01 ppm1      7.057 ppm2     -0.125
 ASSI { 1180}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HG1 ))
      3.300     2.200     2.200 peak  1180 weight  0.10000E+01 volume  0.12784E+01 ppm1      7.050 ppm2      1.377
 OR { 1180}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 1192}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      2.900     1.700     1.700 peak  1192 weight  0.10000E+01 volume  0.26751E+01 ppm1      8.814 ppm2      1.240
 ASSI { 1195}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  142 and name HN  ))
      3.200     2.000     2.000 peak  1195 weight  0.10000E+01 volume  0.14742E+01 ppm1      8.552 ppm2      8.804
 ASSI { 1196}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  112 and name HN  ))
      3.400     2.300     2.100 peak  1196 weight  0.10000E+01 volume  0.11053E+01 ppm1      8.462 ppm2      7.316
 ASSI { 1205}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
      3.300     2.200     2.200 peak  1205 weight  0.10000E+01 volume  0.11676E+01 ppm1      8.454 ppm2      0.832
 OR { 1205}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1206}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      3.200     2.000     2.000 peak  1206 weight  0.10000E+01 volume  0.15507E+01 ppm1      8.452 ppm2      0.580
 ASSI { 1207}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      3.200     2.000     2.000 peak  1207 weight  0.10000E+01 volume  0.14217E+01 ppm1      8.456 ppm2      0.411
 ASSI { 1214}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  202 and name HA  ))
      2.600     1.400     1.400 peak  1214 weight  0.10000E+01 volume  0.51214E+01 ppm1      8.012 ppm2      4.126
 ASSI { 1218}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   73 and name HA  ))
      3.100     1.900     1.900 peak  1218 weight  0.10000E+01 volume  0.17697E+01 ppm1      7.739 ppm2      3.860
 ASSI { 1219}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      3.200     2.000     2.000 peak  1219 weight  0.10000E+01 volume  0.15855E+01 ppm1      7.732 ppm2      1.334
 ASSI { 1229}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  176 and name HA2 ))
      2.700     1.500     1.500 peak  1229 weight  0.10000E+01 volume  0.38027E+01 ppm1      9.157 ppm2      3.140
 ASSI { 1233}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  144 and name HG12))
      2.800     1.600     1.600 peak  1233 weight  0.10000E+01 volume  0.33307E+01 ppm1      8.552 ppm2      1.399
 ASSI { 1255}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  166 and name HA  ))
      2.800     1.600     1.600 peak  1255 weight  0.10000E+01 volume  0.35790E+01 ppm1      7.351 ppm2      4.725
 ASSI { 1257}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HA  ))
      2.500     1.300     1.300 peak  1257 weight  0.10000E+01 volume  0.64932E+01 ppm1      7.350 ppm2      3.686
 ASSI { 1263}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      3.200     2.000     2.000 peak  1263 weight  0.10000E+01 volume  0.13841E+01 ppm1      7.355 ppm2      1.167
 ASSI { 1265}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  173 and name HG1 ))
      3.400     2.300     2.100 peak  1265 weight  0.10000E+01 volume  0.10154E+01 ppm1      7.336 ppm2      2.180
 OR { 1265}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  173 and name HG2 ))
 ASSI { 1266}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      3.200     2.000     2.000 peak  1266 weight  0.10000E+01 volume  0.14158E+01 ppm1      7.342 ppm2      1.798
 ASSI { 1268}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.400     2.300     2.100 peak  1268 weight  0.10000E+01 volume  0.98560E+00 ppm1      9.144 ppm2      0.471
 ASSI { 1277}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   94 and name HB2 ))
      3.400     2.300     2.100 peak  1277 weight  0.10000E+01 volume  0.10790E+01 ppm1      7.185 ppm2      3.574
 ASSI { 1281}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   94 and name HB1 ))
      3.200     2.000     2.000 peak  1281 weight  0.10000E+01 volume  0.13923E+01 ppm1      7.180 ppm2      2.716
 ASSI { 1292}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  175 and name HA  ))
      3.300     2.200     2.200 peak  1292 weight  0.10000E+01 volume  0.11981E+01 ppm1      8.349 ppm2      4.622
 ASSI { 1294}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HB  ))
      3.300     2.200     2.200 peak  1294 weight  0.10000E+01 volume  0.13117E+01 ppm1      8.353 ppm2      1.939
 ASSI { 1297}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.300     2.200     2.200 peak  1297 weight  0.10000E+01 volume  0.12463E+01 ppm1      8.352 ppm2      1.322
 ASSI { 1300}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.000     1.800     1.800 peak  1300 weight  0.10000E+01 volume  0.19642E+01 ppm1      8.351 ppm2      0.425
 OR { 1300}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1308}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HD2 ))
      3.100     1.900     1.900 peak  1308 weight  0.10000E+01 volume  0.18056E+01 ppm1      7.934 ppm2      3.135
 OR { 1308}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HD1 ))
 ASSI { 1317}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HB2 ))
      3.000     1.800     1.800 peak  1317 weight  0.10000E+01 volume  0.19873E+01 ppm1      7.931 ppm2      1.927
 OR { 1317}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HB1 ))
 ASSI { 1320}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.300     2.200     2.200 peak  1320 weight  0.10000E+01 volume  0.12395E+01 ppm1      9.385 ppm2      1.599
 ASSI { 1321}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  143 and name HA  ))
      3.300     2.200     2.200 peak  1321 weight  0.10000E+01 volume  0.11316E+01 ppm1      8.587 ppm2      4.604
 ASSI { 1322}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  143 and name HB  ))
      3.200     2.000     2.000 peak  1322 weight  0.10000E+01 volume  0.15292E+01 ppm1      8.587 ppm2      4.392
 ASSI { 1325}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  136 and name HD1 ))
      3.400     2.300     2.100 peak  1325 weight  0.10000E+01 volume  0.95510E+00 ppm1      8.069 ppm2      1.552
 ASSI { 1334}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  180 and name HA  ))
      3.300     2.200     2.200 peak  1334 weight  0.10000E+01 volume  0.13309E+01 ppm1      9.386 ppm2      4.251
 ASSI { 1335}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  180 and name HB1 ))
      3.200     2.000     2.000 peak  1335 weight  0.10000E+01 volume  0.15448E+01 ppm1      9.384 ppm2      2.625
 ASSI { 1336}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  181 and name HG1 ))
      3.000     1.800     1.800 peak  1336 weight  0.10000E+01 volume  0.20175E+01 ppm1      9.382 ppm2      1.372
 ASSI { 1337}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  180 and name HB2 ))
      3.300     2.200     2.200 peak  1337 weight  0.10000E+01 volume  0.12219E+01 ppm1      9.371 ppm2      3.195
 ASSI { 1348}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      3.200     2.000     2.000 peak  1348 weight  0.10000E+01 volume  0.13576E+01 ppm1      8.247 ppm2      1.561
 ASSI { 1372}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  111 and name HB2 ))
      2.400     1.200     1.200 peak  1372 weight  0.10000E+01 volume  0.86026E+01 ppm1      7.513 ppm2      2.090
 ASSI { 1377}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  123 and name HB  ))
      3.300     2.200     2.200 peak  1377 weight  0.10000E+01 volume  0.12991E+01 ppm1      8.570 ppm2      1.817
 ASSI { 1383}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  192 and name HA2 ))
      3.400     2.300     2.100 peak  1383 weight  0.10000E+01 volume  0.10260E+01 ppm1      8.256 ppm2      2.748
 ASSI { 1385}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  196 and name HN  ))
      2.600     1.400     1.400 peak  1385 weight  0.10000E+01 volume  0.55286E+01 ppm1      8.247 ppm2      7.497
 ASSI { 1391}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
      3.500     2.500     2.000 peak  1391 weight  0.10000E+01 volume  0.91730E+00 ppm1      8.246 ppm2      2.984
 ASSI { 1398}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   82 and name HN  ))
      3.400     2.300     2.100 peak  1398 weight  0.10000E+01 volume  0.10731E+01 ppm1      8.570 ppm2      8.017
 ASSI { 1402}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      3.300     2.200     2.200 peak  1402 weight  0.10000E+01 volume  0.13162E+01 ppm1      8.572 ppm2      0.702
 ASSI { 1422}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   94 and name HB2 ))
      3.000     1.800     1.800 peak  1422 weight  0.10000E+01 volume  0.20524E+01 ppm1      8.709 ppm2      3.571
 ASSI { 1426}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      3.200     2.000     2.000 peak  1426 weight  0.10000E+01 volume  0.14997E+01 ppm1      8.713 ppm2      0.653
 ASSI { 1436}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  188 and name HA  ))
      3.100     1.900     1.900 peak  1436 weight  0.10000E+01 volume  0.17979E+01 ppm1      8.070 ppm2      4.731
 ASSI { 1441}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.400     2.300     2.100 peak  1441 weight  0.10000E+01 volume  0.10458E+01 ppm1      8.068 ppm2      1.448
 ASSI { 1457}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  206 and name HA  ))
      2.500     1.300     1.300 peak  1457 weight  0.10000E+01 volume  0.57873E+01 ppm1      8.058 ppm2      4.294
 OR { 1457}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  206 and name HB  ))
 ASSI { 1459}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      3.100     1.900     1.900 peak  1459 weight  0.10000E+01 volume  0.17067E+01 ppm1      8.057 ppm2      1.243
 ASSI { 1467}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  154 and name HA  ))
      2.900     1.700     1.700 peak  1467 weight  0.10000E+01 volume  0.23858E+01 ppm1      8.744 ppm2      4.101
 ASSI { 1473}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  112 and name HA  ))
      2.300     1.100     1.100 peak  1473 weight  0.10000E+01 volume  0.12011E+02 ppm1      7.309 ppm2      4.308
 ASSI { 1476}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  110 and name HB1 ))
      3.400     2.300     2.100 peak  1476 weight  0.10000E+01 volume  0.10971E+01 ppm1      7.315 ppm2      1.860
 OR { 1476}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  110 and name HB2 ))
 ASSI { 1483}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  124 and name HA  ))
      3.200     2.000     2.000 peak  1483 weight  0.10000E+01 volume  0.14908E+01 ppm1      7.913 ppm2      5.160
 ASSI { 1493}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  111 and name HB2 ))
      2.800     1.600     1.600 peak  1493 weight  0.10000E+01 volume  0.29976E+01 ppm1      7.311 ppm2      2.097
 ASSI { 1503}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   98 and name HN  ))
      3.300     2.200     2.200 peak  1503 weight  0.10000E+01 volume  0.11471E+01 ppm1      6.825 ppm2      3.130
 ASSI { 1511}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.100     1.900     1.900 peak  1511 weight  0.10000E+01 volume  0.16230E+01 ppm1      6.829 ppm2      0.608
 ASSI { 1547}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  158 and name HG1 ))
      3.400     2.300     2.100 peak  1547 weight  0.10000E+01 volume  0.96840E+00 ppm1      7.251 ppm2      1.802
 OR { 1547}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  158 and name HG2 ))
 OR { 1547}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  158 and name HB1 ))
 OR { 1547}
   (( segid PTB  and resid  158 and name HE  ))
   (( segid PTB  and resid  158 and name HB2 ))
 ASSI { 1550}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  120 and name HN  ))
      3.300     2.200     2.200 peak  1550 weight  0.10000E+01 volume  0.11266E+01 ppm1      9.107 ppm2      8.556
 ASSI { 1554}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HB2 ))
      3.000     1.800     1.800 peak  1554 weight  0.10000E+01 volume  0.21817E+01 ppm1      9.112 ppm2      2.029
 ASSI { 1555}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HB1 ))
      3.100     1.900     1.900 peak  1555 weight  0.10000E+01 volume  0.18138E+01 ppm1      9.109 ppm2      1.810
 ASSI { 1569}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  147 and name HB  ))
      3.500     2.500     2.000 peak  1569 weight  0.10000E+01 volume  0.90000E+00 ppm1      6.647 ppm2      2.386
 ASSI { 1574}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  146 and name HB2 ))
      3.000     1.800     1.800 peak  1574 weight  0.10000E+01 volume  0.23741E+01 ppm1      6.639 ppm2      1.453
 OR { 1574}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  146 and name HB1 ))
 ASSI { 1576}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      3.000     1.800     1.800 peak  1576 weight  0.10000E+01 volume  0.20976E+01 ppm1      6.638 ppm2      1.190
 ASSI { 1583}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  145 and name HB1 ))
      3.300     2.200     2.200 peak  1583 weight  0.10000E+01 volume  0.12827E+01 ppm1      6.648 ppm2      2.116
 ASSI { 1586}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  145 and name HB2 ))
      3.200     2.000     2.000 peak  1586 weight  0.10000E+01 volume  0.13462E+01 ppm1      6.640 ppm2      2.012
 ASSI { 1622}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   75 and name HA  ))
      2.400     1.200     1.200 peak  1622 weight  0.10000E+01 volume  0.77182E+01 ppm1      8.026 ppm2      4.082
 ASSI { 1626}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   77 and name HB1 ))
      3.300     2.200     2.200 peak  1626 weight  0.10000E+01 volume  0.12508E+01 ppm1      8.025 ppm2      1.736
 ASSI { 1628}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      3.400     2.300     2.100 peak  1628 weight  0.10000E+01 volume  0.98650E+00 ppm1      8.029 ppm2      1.335
 ASSI { 1644}
   (( segid PTB  and resid   68 and name HE21))
   (( segid PTB  and resid   68 and name HE22))
      1.800     0.600     0.600 peak  1644 weight  0.10000E+01 volume  0.47056E+02 ppm1      7.131 ppm2      6.812
 ASSI { 1657}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  176 and name HA1 ))
      3.500     2.500     2.000 peak  1657 weight  0.10000E+01 volume  0.90400E+00 ppm1      8.126 ppm2      4.905
 ASSI { 1660}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
      2.900     1.700     1.700 peak  1660 weight  0.10000E+01 volume  0.27829E+01 ppm1      8.119 ppm2      6.887
 ASSI { 1671}
   (( segid PTB  and resid   68 and name HE21))
   (( segid PTB  and resid   68 and name HG2 ))
      2.900     1.700     1.700 peak  1671 weight  0.10000E+01 volume  0.25786E+01 ppm1      7.130 ppm2      2.026
 OR { 1671}
   (( segid PTB  and resid   68 and name HE21))
   (( segid PTB  and resid   68 and name HG1 ))
 ASSI { 1678}
   (( segid PTB  and resid   68 and name HE22))
   (( segid PTB  and resid   68 and name HG1 ))
      3.000     1.800     1.800 peak  1678 weight  0.10000E+01 volume  0.19726E+01 ppm1      6.815 ppm2      2.010
 OR { 1678}
   (( segid PTB  and resid   68 and name HE22))
   (( segid PTB  and resid   68 and name HG2 ))
 ASSI { 1686}
   (( segid PTB  and resid  203 and name HE21))
   (( segid PTB  and resid  203 and name HE22))
      1.600     0.500     0.600 peak  1686 weight  0.10000E+01 volume  0.10179E+03 ppm1      7.472 ppm2      6.875
 ASSI { 1688}
   (( segid PTB  and resid  203 and name HE21))
   (( segid PTB  and resid  203 and name HG2 ))
      3.000     1.800     1.800 peak  1688 weight  0.10000E+01 volume  0.23319E+01 ppm1      7.471 ppm2      2.493
 OR { 1688}
   (( segid PTB  and resid  203 and name HE21))
   (( segid PTB  and resid  203 and name HG1 ))
 ASSI { 1704}
   (( segid PTB  and resid  203 and name HE22))
   (( segid PTB  and resid  203 and name HG2 ))
      3.300     2.200     2.200 peak  1704 weight  0.10000E+01 volume  0.11773E+01 ppm1      6.877 ppm2      2.489
 OR { 1704}
   (( segid PTB  and resid  203 and name HE22))
   (( segid PTB  and resid  203 and name HG1 ))
 ASSI { 1712}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  182 and name HN  ))
      3.200     2.000     2.000 peak  1712 weight  0.10000E+01 volume  0.13533E+01 ppm1      8.322 ppm2      7.051
 ASSI { 1714}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  158 and name HA  ))
      3.000     1.800     1.800 peak  1714 weight  0.10000E+01 volume  0.23511E+01 ppm1      8.326 ppm2      4.730
 ASSI { 1718}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  182 and name HB2 ))
      2.600     2.600     1.900 peak  1718 weight  0.10000E+01 volume  0.54408E+01 ppm1      8.321 ppm2      2.412
 ASSI { 1740}
   (( segid PTB  and resid   97 and name HE  ))
   (( segid PTB  and resid   97 and name HB1 ))
      3.300     2.200     2.200 peak  1740 weight  0.10000E+01 volume  0.11923E+01 ppm1      7.150 ppm2      1.066
 ASSI { 1756}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  185 and name HA  ))
      3.100     1.900     1.900 peak  1756 weight  0.10000E+01 volume  0.19000E+01 ppm1      7.733 ppm2      3.947
 ASSI { 1758}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  187 and name HA  ))
      3.100     1.900     1.900 peak  1758 weight  0.10000E+01 volume  0.16756E+01 ppm1      7.730 ppm2      2.678
 ASSI { 1759}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  184 and name HA2 ))
      3.400     2.300     2.100 peak  1759 weight  0.10000E+01 volume  0.95520E+00 ppm1      7.723 ppm2      3.494
 ASSI { 1761}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.400     2.300     2.100 peak  1761 weight  0.10000E+01 volume  0.10946E+01 ppm1      7.720 ppm2      0.116
 ASSI { 1765}
   (( segid PTB  and resid  111 and name HE21))
   (( segid PTB  and resid  111 and name HG2 ))
      3.300     2.200     2.200 peak  1765 weight  0.10000E+01 volume  0.11133E+01 ppm1      7.349 ppm2      2.409
 ASSI { 1766}
   (( segid PTB  and resid  170 and name HE  ))
   (( segid PTB  and resid  171 and name HN  ))
      3.400     2.300     2.100 peak  1766 weight  0.10000E+01 volume  0.10848E+01 ppm1      7.207 ppm2      7.352
 ASSI { 1773}
   (( segid PTB  and resid  111 and name HE22))
   (( segid PTB  and resid  111 and name HE21))
      1.600     0.500     0.600 peak  1773 weight  0.10000E+01 volume  0.87876E+02 ppm1      6.830 ppm2      7.348
 ASSI { 1788}
   (( segid PTB  and resid  111 and name HE21))
   (( segid PTB  and resid  111 and name HG1 ))
      3.300     2.200     2.200 peak  1788 weight  0.10000E+01 volume  0.13157E+01 ppm1      7.349 ppm2      2.574
 ASSI { 1803}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      3.400     2.300     2.100 peak  1803 weight  0.10000E+01 volume  0.93150E+00 ppm1      7.899 ppm2      0.790
 ASSI { 1812}
   (( segid PTB  and resid  169 and name HN  ))
   (( segid PTB  and resid  170 and name HA  ))
      3.400     2.300     2.100 peak  1812 weight  0.10000E+01 volume  0.10994E+01 ppm1      7.585 ppm2      3.689
 ASSI { 1822}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      3.500     2.500     2.000 peak  1822 weight  0.10000E+01 volume  0.91220E+00 ppm1      7.585 ppm2      0.853
 OR { 1822}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1828}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   96 and name HB1 ))
      3.000     1.800     1.800 peak  1828 weight  0.10000E+01 volume  0.19555E+01 ppm1      7.576 ppm2      2.823
 ASSI { 1830}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   95 and name HB1 ))
      2.900     1.700     1.700 peak  1830 weight  0.10000E+01 volume  0.27770E+01 ppm1      7.578 ppm2      1.639
 ASSI { 1832}
   (( segid PTB  and resid  169 and name HN  ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.500     1.300     1.300 peak  1832 weight  0.10000E+01 volume  0.57971E+01 ppm1      7.576 ppm2      1.186
 ASSI { 1836}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  158 and name HB2 ))
      3.200     2.000     2.000 peak  1836 weight  0.10000E+01 volume  0.13770E+01 ppm1      9.430 ppm2      1.804
 OR { 1836}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  158 and name HG2 ))
 OR { 1836}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  158 and name HG1 ))
 OR { 1836}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  158 and name HB1 ))
 ASSI { 1838}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  183 and name HN  ))
      3.400     2.300     2.100 peak  1838 weight  0.10000E+01 volume  0.97350E+00 ppm1      9.420 ppm2      8.307
 ASSI { 1840}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  185 and name HB1 ))
      3.300     2.200     2.200 peak  1840 weight  0.10000E+01 volume  0.11509E+01 ppm1      9.422 ppm2      2.240
 OR { 1840}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  185 and name HB2 ))
 ASSI { 1856}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  190 and name HN  ))
      3.300     2.200     2.200 peak  1856 weight  0.10000E+01 volume  0.11415E+01 ppm1      8.337 ppm2      7.368
 ASSI { 1858}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  125 and name HN  ))
      3.400     2.300     2.100 peak  1858 weight  0.10000E+01 volume  0.10440E+01 ppm1      7.544 ppm2      9.126
 ASSI { 1863}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  126 and name HA  ))
      2.700     1.500     1.500 peak  1863 weight  0.10000E+01 volume  0.40242E+01 ppm1      7.545 ppm2      4.796
 ASSI { 1866}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  126 and name HB2 ))
      2.900     1.700     1.700 peak  1866 weight  0.10000E+01 volume  0.26917E+01 ppm1      7.545 ppm2      2.707
 ASSI { 1869}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      3.200     2.000     2.000 peak  1869 weight  0.10000E+01 volume  0.15189E+01 ppm1      7.545 ppm2      1.163
 ASSI { 1871}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
      3.100     1.900     1.900 peak  1871 weight  0.10000E+01 volume  0.19388E+01 ppm1      8.345 ppm2      7.018
 OR { 1871}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
 ASSI { 1872}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.500     2.500     2.000 peak  1872 weight  0.10000E+01 volume  0.91450E+00 ppm1      8.345 ppm2      1.457
 ASSI { 1881}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      3.100     1.900     1.900 peak  1881 weight  0.10000E+01 volume  0.17796E+01 ppm1      8.338 ppm2      0.668
 ASSI { 1894}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      3.300     2.200     2.200 peak  1894 weight  0.10000E+01 volume  0.11536E+01 ppm1      8.609 ppm2      1.346
 ASSI { 1901}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  132 and name HN  ))
      3.200     2.000     2.000 peak  1901 weight  0.10000E+01 volume  0.15729E+01 ppm1      8.376 ppm2      8.887
 ASSI { 1910}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      3.200     2.000     2.000 peak  1910 weight  0.10000E+01 volume  0.13579E+01 ppm1      8.382 ppm2      1.248
 ASSI { 1911}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      3.000     1.800     1.800 peak  1911 weight  0.10000E+01 volume  0.22392E+01 ppm1      8.377 ppm2      0.801
 ASSI { 1916}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  136 and name HA  ))
      3.100     1.900     1.900 peak  1916 weight  0.10000E+01 volume  0.19335E+01 ppm1      8.093 ppm2      4.087
 ASSI { 1917}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  134 and name HG1 ))
      3.300     2.200     2.200 peak  1917 weight  0.10000E+01 volume  0.12984E+01 ppm1      8.094 ppm2      2.404
 OR { 1917}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  134 and name HG2 ))
 ASSI { 1920}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  137 and name HN  ))
      3.500     2.500     2.000 peak  1920 weight  0.10000E+01 volume  0.91970E+00 ppm1      8.082 ppm2      8.388
 ASSI { 1921}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  132 and name HB1 ))
      3.400     2.300     2.100 peak  1921 weight  0.10000E+01 volume  0.10207E+01 ppm1      8.088 ppm2      2.970
 ASSI { 1926}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  158 and name HA  ))
      2.900     1.700     1.700 peak  1926 weight  0.10000E+01 volume  0.27056E+01 ppm1      8.477 ppm2      4.733
 ASSI { 1927}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  157 and name HA  ))
      3.200     2.000     2.000 peak  1927 weight  0.10000E+01 volume  0.13492E+01 ppm1      8.476 ppm2      4.438
 ASSI { 1934}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  158 and name HB1 ))
      3.200     2.000     2.000 peak  1934 weight  0.10000E+01 volume  0.15335E+01 ppm1      8.471 ppm2      1.846
 OR { 1934}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  158 and name HB2 ))
 OR { 1934}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  158 and name HG1 ))
 OR { 1934}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  158 and name HG2 ))
 ASSI { 1936}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  136 and name HB2 ))
      3.400     2.300     2.100 peak  1936 weight  0.10000E+01 volume  0.99860E+00 ppm1      8.394 ppm2      2.206
 ASSI { 1947}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  177 and name HN  ))
      3.500     2.500     2.000 peak  1947 weight  0.10000E+01 volume  0.93110E+00 ppm1      7.996 ppm2      9.160
 ASSI { 1959}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  175 and name HB1 ))
      3.300     2.200     2.200 peak  1959 weight  0.10000E+01 volume  0.12208E+01 ppm1      7.998 ppm2      1.803
 ASSI { 1970}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
      2.800     1.600     1.600 peak  1970 weight  0.10000E+01 volume  0.33281E+01 ppm1      9.135 ppm2      4.363
 ASSI { 2121}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   97 and name HB1 ))
      3.100     1.900     1.900 peak  2121 weight  0.10000E+01 volume  0.17699E+01 ppm1      3.156 ppm2      1.102
 ASSI { 2122}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      3.800     2.900     1.700 peak  2122 weight  0.10000E+01 volume  0.56370E+00 ppm1      3.154 ppm2      0.844
 ASSI { 2123}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.200     2.000     2.000 peak  2123 weight  0.10000E+01 volume  0.13377E+01 ppm1      3.148 ppm2      0.605
 ASSI { 2128}
   (( segid PTB  and resid   89 and name HN  ))
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
      3.400     2.300     2.100 peak  2128 weight  0.10000E+01 volume  0.10372E+01 ppm1      5.128 ppm2      6.593
 ASSI { 2129}
   (( segid PTB  and resid   89 and name HN  ))
   (( segid PTB  and resid  176 and name HA1 ))
      3.300     2.200     2.200 peak  2129 weight  0.10000E+01 volume  0.12134E+01 ppm1      5.124 ppm2      4.908
 ASSI { 2141}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HG2 ))
      2.800     1.600     1.600 peak  2141 weight  0.10000E+01 volume  0.33288E+01 ppm1      8.259 ppm2      0.946
 OR { 2141}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HG1 ))
 ASSI { 2145}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.800     1.600     1.600 peak  2145 weight  0.10000E+01 volume  0.35035E+01 ppm1      8.287 ppm2      1.001
 ASSI { 2150}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  180 and name HB2 ))
      2.900     1.700     1.700 peak  2150 weight  0.10000E+01 volume  0.24468E+01 ppm1      8.255 ppm2      3.205
 ASSI { 2151}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  173 and name HB1 ))
      3.600     2.600     1.900 peak  2151 weight  0.10000E+01 volume  0.74590E+00 ppm1      9.168 ppm2      1.681
 ASSI { 2152}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  171 and name HD2 ))
      3.500     2.500     2.000 peak  2152 weight  0.10000E+01 volume  0.82250E+00 ppm1      9.156 ppm2      3.130
 OR { 2152}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  171 and name HD1 ))
 ASSI { 2153}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  171 and name HD1 ))
      3.500     2.500     2.000 peak  2153 weight  0.10000E+01 volume  0.81350E+00 ppm1      8.263 ppm2      3.130
 OR { 2153}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  171 and name HD2 ))
 ASSI { 2158}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   67 and name HB1 ))
      3.600     2.600     1.900 peak  2158 weight  0.10000E+01 volume  0.75920E+00 ppm1      8.363 ppm2      3.021
 ASSI { 2159}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   67 and name HB2 ))
      3.600     2.600     1.900 peak  2159 weight  0.10000E+01 volume  0.75360E+00 ppm1      8.361 ppm2      3.089
 ASSI { 2162}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      3.500     2.500     2.000 peak  2162 weight  0.10000E+01 volume  0.86630E+00 ppm1      8.322 ppm2      1.236
 ASSI { 2164}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   70 and name HB2 ))
      3.600     2.600     1.900 peak  2164 weight  0.10000E+01 volume  0.66880E+00 ppm1      8.571 ppm2      2.111
 ASSI { 2166}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      3.600     2.600     1.900 peak  2166 weight  0.10000E+01 volume  0.77140E+00 ppm1      9.096 ppm2      0.853
 OR { 2166}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 2170}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  103 and name HA  ))
      3.700     2.700     1.800 peak  2170 weight  0.10000E+01 volume  0.64630E+00 ppm1      7.107 ppm2      3.867
 ASSI { 2171}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid   99 and name HG1 ))
      3.500     2.500     2.000 peak  2171 weight  0.10000E+01 volume  0.82470E+00 ppm1      7.135 ppm2      2.628
 ASSI { 2172}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.600     2.600     1.900 peak  2172 weight  0.10000E+01 volume  0.71270E+00 ppm1      7.119 ppm2      0.598
 ASSI { 2174}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.600     2.600     1.900 peak  2174 weight  0.10000E+01 volume  0.72070E+00 ppm1      7.033 ppm2      0.122
 ASSI { 2175}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  105 and name HN  ))
      3.600     2.600     1.900 peak  2175 weight  0.10000E+01 volume  0.74100E+00 ppm1      8.444 ppm2      7.601
 ASSI { 2177}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  102 and name HN  ))
      3.800     2.900     1.700 peak  2177 weight  0.10000E+01 volume  0.55030E+00 ppm1      8.170 ppm2      7.106
 ASSI { 2178}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  101 and name HN  ))
      3.700     2.700     1.800 peak  2178 weight  0.10000E+01 volume  0.61530E+00 ppm1      8.165 ppm2      6.853
 ASSI { 2179}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      3.300     2.200     2.200 peak  2179 weight  0.10000E+01 volume  0.11195E+01 ppm1      8.175 ppm2      0.844
 OR { 2179}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 ASSI { 2182}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
      3.600     2.600     1.900 peak  2182 weight  0.10000E+01 volume  0.68020E+00 ppm1      8.513 ppm2      4.172
 ASSI { 2183}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.500     2.500     2.000 peak  2183 weight  0.10000E+01 volume  0.78610E+00 ppm1      8.524 ppm2      0.457
 ASSI { 2187}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  108 and name HB  ))
      3.500     2.500     2.000 peak  2187 weight  0.10000E+01 volume  0.84320E+00 ppm1      7.542 ppm2      2.266
 ASSI { 2188}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.700     2.700     1.800 peak  2188 weight  0.10000E+01 volume  0.63050E+00 ppm1      7.445 ppm2      0.432
 ASSI { 2189}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  110 and name HN  ))
      3.000     1.800     1.800 peak  2189 weight  0.10000E+01 volume  0.20369E+01 ppm1      8.554 ppm2      8.440
 ASSI { 2190}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  121 and name HA  ))
      3.600     2.600     1.900 peak  2190 weight  0.10000E+01 volume  0.67990E+00 ppm1      8.563 ppm2      5.085
 ASSI { 2191}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  111 and name HA  ))
      3.600     2.600     1.900 peak  2191 weight  0.10000E+01 volume  0.75220E+00 ppm1      8.448 ppm2      4.382
 ASSI { 2193}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HD1 ))
      3.700     2.700     1.800 peak  2193 weight  0.10000E+01 volume  0.63960E+00 ppm1      8.450 ppm2      2.974
 ASSI { 2194}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  111 and name HG1 ))
      3.700     2.700     1.800 peak  2194 weight  0.10000E+01 volume  0.58380E+00 ppm1      8.461 ppm2      2.569
 ASSI { 2195}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  111 and name HB1 ))
      3.600     2.600     1.900 peak  2195 weight  0.10000E+01 volume  0.75330E+00 ppm1      8.443 ppm2      2.221
 ASSI { 2197}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  110 and name HG1 ))
      3.600     2.600     1.900 peak  2197 weight  0.10000E+01 volume  0.67730E+00 ppm1      7.516 ppm2      1.430
 OR { 2197}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  110 and name HG2 ))
 ASSI { 2199}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      3.600     2.600     1.900 peak  2199 weight  0.10000E+01 volume  0.73190E+00 ppm1      7.506 ppm2      0.913
 ASSI { 2201}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  111 and name HG2 ))
      3.500     2.500     2.000 peak  2201 weight  0.10000E+01 volume  0.88760E+00 ppm1      7.305 ppm2      2.411
 ASSI { 2202}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  111 and name HG1 ))
      3.700     2.700     1.800 peak  2202 weight  0.10000E+01 volume  0.58760E+00 ppm1      7.313 ppm2      2.549
 ASSI { 2203}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  108 and name HA  ))
      3.800     2.900     1.700 peak  2203 weight  0.10000E+01 volume  0.53610E+00 ppm1      7.325 ppm2      3.655
 ASSI { 2205}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      3.600     2.600     1.900 peak  2205 weight  0.10000E+01 volume  0.66930E+00 ppm1      7.306 ppm2      0.903
 ASSI { 2206}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      3.500     2.500     2.000 peak  2206 weight  0.10000E+01 volume  0.79590E+00 ppm1      7.307 ppm2      0.423
 ASSI { 2207}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HD2 ))
      3.500     2.500     2.000 peak  2207 weight  0.10000E+01 volume  0.79180E+00 ppm1      8.463 ppm2      3.191
 OR { 2207}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HD1 ))
 ASSI { 2208}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  112 and name HN  ))
      3.500     2.500     2.000 peak  2208 weight  0.10000E+01 volume  0.84990E+00 ppm1      7.904 ppm2      7.312
 ASSI { 2212}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid   86 and name HA  ))
      3.600     2.600     1.900 peak  2212 weight  0.10000E+01 volume  0.73470E+00 ppm1      8.031 ppm2      4.979
 ASSI { 2213}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      3.600     2.600     1.900 peak  2213 weight  0.10000E+01 volume  0.70620E+00 ppm1      8.026 ppm2      0.862
 ASSI { 2216}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid   87 and name HN  ))
      3.600     2.600     1.900 peak  2216 weight  0.10000E+01 volume  0.77690E+00 ppm1      9.123 ppm2      9.669
 ASSI { 2217}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
      3.500     2.500     2.000 peak  2217 weight  0.10000E+01 volume  0.81300E+00 ppm1      9.120 ppm2      4.474
 ASSI { 2218}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HD2 ))
      3.700     2.700     1.800 peak  2218 weight  0.10000E+01 volume  0.61440E+00 ppm1      9.106 ppm2      3.264
 OR { 2218}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HD1 ))
 ASSI { 2222}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   83 and name HB1 ))
      3.700     2.700     1.800 peak  2222 weight  0.10000E+01 volume  0.63790E+00 ppm1      9.053 ppm2      2.927
 ASSI { 2223}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   83 and name HB2 ))
      3.600     2.600     1.900 peak  2223 weight  0.10000E+01 volume  0.68350E+00 ppm1      9.074 ppm2      2.319
 ASSI { 2224}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  121 and name HN  ))
      3.500     2.500     2.000 peak  2224 weight  0.10000E+01 volume  0.81560E+00 ppm1      9.843 ppm2      9.037
 ASSI { 2225}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  131 and name HN  ))
      3.500     2.500     2.000 peak  2225 weight  0.10000E+01 volume  0.81080E+00 ppm1      9.798 ppm2      8.735
 ASSI { 2229}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  122 and name HN  ))
      3.500     2.500     2.000 peak  2229 weight  0.10000E+01 volume  0.87720E+00 ppm1      8.302 ppm2      9.815
 ASSI { 2230}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   82 and name HB2 ))
      3.600     2.600     1.900 peak  2230 weight  0.10000E+01 volume  0.78340E+00 ppm1      8.318 ppm2      3.423
 ASSI { 2231}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   81 and name HB2 ))
      3.700     2.700     1.800 peak  2231 weight  0.10000E+01 volume  0.59800E+00 ppm1      8.319 ppm2      2.228
 ASSI { 2235}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  124 and name HN  ))
      3.700     2.700     1.800 peak  2235 weight  0.10000E+01 volume  0.59640E+00 ppm1      9.130 ppm2      8.308
 ASSI { 2236}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
      3.500     2.500     2.000 peak  2236 weight  0.10000E+01 volume  0.82000E+00 ppm1      9.126 ppm2      2.110
 ASSI { 2237}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      3.700     2.700     1.800 peak  2237 weight  0.10000E+01 volume  0.61570E+00 ppm1      9.130 ppm2      1.259
 ASSI { 2238}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.600     2.600     1.900 peak  2238 weight  0.10000E+01 volume  0.68680E+00 ppm1      7.915 ppm2      1.623
 ASSI { 2239}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      3.600     2.600     1.900 peak  2239 weight  0.10000E+01 volume  0.72600E+00 ppm1      7.925 ppm2      0.562
 ASSI { 2240}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  124 and name HA  ))
      3.600     2.600     1.900 peak  2240 weight  0.10000E+01 volume  0.67100E+00 ppm1      7.538 ppm2      5.165
 ASSI { 2242}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      3.500     2.500     2.000 peak  2242 weight  0.10000E+01 volume  0.83780E+00 ppm1      7.542 ppm2      0.563
 ASSI { 2249}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  129 and name HN  ))
      3.500     2.500     2.000 peak  2249 weight  0.10000E+01 volume  0.84900E+00 ppm1      8.875 ppm2      8.559
 ASSI { 2250}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  140 and name HA  ))
      3.700     2.700     1.800 peak  2250 weight  0.10000E+01 volume  0.65620E+00 ppm1      8.866 ppm2      4.087
 ASSI { 2252}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  122 and name HD2 ))
      3.500     2.500     2.000 peak  2252 weight  0.10000E+01 volume  0.78530E+00 ppm1      8.735 ppm2      6.676
 ASSI { 2253}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  130 and name HB  ))
      3.600     2.600     1.900 peak  2253 weight  0.10000E+01 volume  0.68140E+00 ppm1      8.719 ppm2      1.725
 ASSI { 2254}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  133 and name HN  ))
      3.700     2.700     1.800 peak  2254 weight  0.10000E+01 volume  0.57910E+00 ppm1      8.892 ppm2      9.114
 ASSI { 2256}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  134 and name HB1 ))
      3.300     2.200     2.200 peak  2256 weight  0.10000E+01 volume  0.11497E+01 ppm1      9.128 ppm2      2.234
 OR { 2256}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  134 and name HB2 ))
 ASSI { 2257}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      3.800     2.900     1.700 peak  2257 weight  0.10000E+01 volume  0.52490E+00 ppm1      8.074 ppm2      0.787
 ASSI { 2258}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   83 and name HN  ))
      3.600     2.600     1.900 peak  2258 weight  0.10000E+01 volume  0.77160E+00 ppm1      9.381 ppm2      8.557
 ASSI { 2259}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      3.600     2.600     1.900 peak  2259 weight  0.10000E+01 volume  0.74110E+00 ppm1      9.365 ppm2      0.108
 ASSI { 2262}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   85 and name HB  ))
      3.500     2.500     2.000 peak  2262 weight  0.10000E+01 volume  0.87970E+00 ppm1      9.197 ppm2      2.366
 ASSI { 2263}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  180 and name HN  ))
      3.500     2.500     2.000 peak  2263 weight  0.10000E+01 volume  0.89270E+00 ppm1      9.168 ppm2      8.258
 ASSI { 2264}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.700     2.700     1.800 peak  2264 weight  0.10000E+01 volume  0.60730E+00 ppm1      9.159 ppm2      7.318
 ASSI { 2265}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   87 and name HB1 ))
      3.600     2.600     1.900 peak  2265 weight  0.10000E+01 volume  0.71820E+00 ppm1      9.163 ppm2      2.911
 ASSI { 2266}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      3.800     2.900     1.700 peak  2266 weight  0.10000E+01 volume  0.49970E+00 ppm1      9.178 ppm2      0.769
 ASSI { 2267}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   87 and name HD1 )
     OR 
    ( segid PTB  and resid   87 and name HD2 ))
      3.500     2.500     2.000 peak  2267 weight  0.10000E+01 volume  0.80800E+00 ppm1      9.676 ppm2      6.447
 ASSI { 2268}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.700     2.700     1.800 peak  2268 weight  0.10000E+01 volume  0.64300E+00 ppm1      9.665 ppm2      7.322
 ASSI { 2269}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.600     2.600     1.900 peak  2269 weight  0.10000E+01 volume  0.72070E+00 ppm1      8.345 ppm2      7.330
 ASSI { 2270}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   87 and name HB2 ))
      3.600     2.600     1.900 peak  2270 weight  0.10000E+01 volume  0.72360E+00 ppm1      8.362 ppm2      2.758
 ASSI { 2272}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
      3.600     2.600     1.900 peak  2272 weight  0.10000E+01 volume  0.67000E+00 ppm1      7.932 ppm2      6.590
 ASSI { 2274}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  176 and name HN  ))
      3.700     2.700     1.800 peak  2274 weight  0.10000E+01 volume  0.59080E+00 ppm1      8.352 ppm2      7.963
 ASSI { 2275}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  173 and name HA  ))
      3.500     2.500     2.000 peak  2275 weight  0.10000E+01 volume  0.82130E+00 ppm1      8.352 ppm2      5.259
 ASSI { 2279}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.900     3.000     1.600 peak  2279 weight  0.10000E+01 volume  0.46460E+00 ppm1      8.453 ppm2      1.306
 ASSI { 2280}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid   99 and name HA  ))
      3.500     2.500     2.000 peak  2280 weight  0.10000E+01 volume  0.78970E+00 ppm1      8.845 ppm2      4.010
 ASSI { 2286}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.000     1.800     1.800 peak  2286 weight  0.10000E+01 volume  0.21931E+01 ppm1      8.543 ppm2      1.633
 ASSI { 2287}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  131 and name HA  ))
      3.700     2.700     1.800 peak  2287 weight  0.10000E+01 volume  0.65640E+00 ppm1      8.442 ppm2      4.853
 ASSI { 2288}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  141 and name HB1 ))
      3.500     2.500     2.000 peak  2288 weight  0.10000E+01 volume  0.88650E+00 ppm1      8.804 ppm2      2.830
 ASSI { 2291}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
      3.700     2.700     1.800 peak  2291 weight  0.10000E+01 volume  0.57220E+00 ppm1      8.383 ppm2      4.467
 ASSI { 2292}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
      3.700     2.700     1.800 peak  2292 weight  0.10000E+01 volume  0.64130E+00 ppm1      7.736 ppm2      4.475
 ASSI { 2293}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
      3.500     2.500     2.000 peak  2293 weight  0.10000E+01 volume  0.83630E+00 ppm1      8.582 ppm2      4.474
 ASSI { 2296}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   76 and name HA  ))
      3.500     2.500     2.000 peak  2296 weight  0.10000E+01 volume  0.83490E+00 ppm1      8.074 ppm2      3.695
 ASSI { 2298}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  185 and name HA  ))
      3.500     2.500     2.000 peak  2298 weight  0.10000E+01 volume  0.88840E+00 ppm1      7.702 ppm2      3.900
 ASSI { 2299}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  185 and name HA  ))
      3.600     2.600     1.900 peak  2299 weight  0.10000E+01 volume  0.67730E+00 ppm1      6.525 ppm2      3.884
 ASSI { 2300}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid   83 and name HB1 ))
      3.600     2.600     1.900 peak  2300 weight  0.10000E+01 volume  0.72610E+00 ppm1      6.517 ppm2      2.875
 ASSI { 2301}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  186 and name HA  ))
      3.500     2.500     2.000 peak  2301 weight  0.10000E+01 volume  0.83960E+00 ppm1      6.511 ppm2      2.966
 ASSI { 2303}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  187 and name HA  ))
      3.600     2.600     1.900 peak  2303 weight  0.10000E+01 volume  0.69010E+00 ppm1      7.730 ppm2      2.693
 ASSI { 2304}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  190 and name HA  ))
      3.700     2.700     1.800 peak  2304 weight  0.10000E+01 volume  0.62500E+00 ppm1      8.334 ppm2      3.587
 ASSI { 2306}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  192 and name HA1 ))
      3.700     2.700     1.800 peak  2306 weight  0.10000E+01 volume  0.60300E+00 ppm1      8.255 ppm2      1.924
 ASSI { 2307}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      3.500     2.500     2.000 peak  2307 weight  0.10000E+01 volume  0.86160E+00 ppm1      8.248 ppm2      0.890
 ASSI { 2309}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  197 and name HA  ))
      3.500     2.500     2.000 peak  2309 weight  0.10000E+01 volume  0.85600E+00 ppm1      8.281 ppm2      3.628
 ASSI { 2310}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.600     2.600     1.900 peak  2310 weight  0.10000E+01 volume  0.71950E+00 ppm1      6.635 ppm2      1.651
 OR { 2310}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  144 and name HG11))
 ASSI { 2314}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  103 and name HA  ))
      3.600     2.600     1.900 peak  2314 weight  0.10000E+01 volume  0.74300E+00 ppm1      8.221 ppm2      3.900
 ASSI { 2316}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  171 and name HN  ))
      3.500     2.500     2.000 peak  2316 weight  0.10000E+01 volume  0.87550E+00 ppm1      8.674 ppm2      7.321
 ASSI { 2317}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  175 and name HA  ))
      3.500     2.500     2.000 peak  2317 weight  0.10000E+01 volume  0.82540E+00 ppm1      8.707 ppm2      4.626
 ASSI { 2320}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.700     2.700     1.800 peak  2320 weight  0.10000E+01 volume  0.60120E+00 ppm1      8.705 ppm2      0.469
 ASSI { 2323}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   89 and name HN  ))
      3.800     2.900     1.700 peak  2323 weight  0.10000E+01 volume  0.53350E+00 ppm1      8.006 ppm2      5.118
 ASSI { 2329}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid  120 and name HA  ))
      3.600     2.600     1.900 peak  2329 weight  0.10000E+01 volume  0.70900E+00 ppm1      8.577 ppm2      5.197
 ASSI { 2330}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   87 and name HA  ))
      3.500     2.500     2.000 peak  2330 weight  0.10000E+01 volume  0.89790E+00 ppm1      8.914 ppm2      4.736
 ASSI { 2334}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  175 and name HD2 ))
      3.500     2.500     2.000 peak  2334 weight  0.10000E+01 volume  0.86860E+00 ppm1      9.719 ppm2      6.648
 ASSI { 2340}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid   96 and name HB1 ))
      3.600     2.600     1.900 peak  2340 weight  0.10000E+01 volume  0.78160E+00 ppm1      9.701 ppm2      2.881
 ASSI { 2342}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  174 and name HB2 ))
      3.700     2.700     1.800 peak  2342 weight  0.10000E+01 volume  0.66220E+00 ppm1      9.701 ppm2      2.493
 OR { 2342}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  174 and name HB1 ))
 ASSI { 2344}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
      3.300     2.200     2.200 peak  2344 weight  0.10000E+01 volume  0.11938E+01 ppm1      8.712 ppm2      5.420
 ASSI { 2347}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  160 and name HB2 ))
      3.900     3.000     1.600 peak  2347 weight  0.10000E+01 volume  0.46280E+00 ppm1      9.174 ppm2      2.386
 ASSI { 2349}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  162 and name HA  ))
      2.900     1.700     1.700 peak  2349 weight  0.10000E+01 volume  0.26488E+01 ppm1      8.568 ppm2      5.480
 ASSI { 2350}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  160 and name HA  ))
      3.500     2.500     2.000 peak  2350 weight  0.10000E+01 volume  0.78590E+00 ppm1      8.565 ppm2      5.153
 ASSI { 2351}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  154 and name HA  ))
      3.700     2.700     1.800 peak  2351 weight  0.10000E+01 volume  0.62450E+00 ppm1      7.685 ppm2      4.092
 ASSI { 2353}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.500     2.500     2.000 peak  2353 weight  0.10000E+01 volume  0.88820E+00 ppm1      7.662 ppm2      7.345
 ASSI { 2355}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  132 and name HB1 ))
      3.500     2.500     2.000 peak  2355 weight  0.10000E+01 volume  0.88810E+00 ppm1      8.806 ppm2      2.976
 ASSI { 2356}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  165 and name HN  ))
      3.500     2.500     2.000 peak  2356 weight  0.10000E+01 volume  0.78900E+00 ppm1      9.575 ppm2      8.255
 ASSI { 2357}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  163 and name HN  ))
      3.600     2.600     1.900 peak  2357 weight  0.10000E+01 volume  0.76670E+00 ppm1      9.526 ppm2      9.169
 ASSI { 2359}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  179 and name HN  ))
      3.500     2.500     2.000 peak  2359 weight  0.10000E+01 volume  0.80360E+00 ppm1      8.819 ppm2      9.677
 ASSI { 2360}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  161 and name HN  ))
      3.600     2.600     1.900 peak  2360 weight  0.10000E+01 volume  0.67730E+00 ppm1      8.822 ppm2      7.666
 ASSI { 2364}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      3.600     2.600     1.900 peak  2364 weight  0.10000E+01 volume  0.76530E+00 ppm1      7.341 ppm2      0.286
 ASSI { 2365}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  191 and name HB  ))
      3.700     2.700     1.800 peak  2365 weight  0.10000E+01 volume  0.59700E+00 ppm1      7.365 ppm2      2.126
 ASSI { 2367}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  143 and name HN  ))
      3.800     2.900     1.700 peak  2367 weight  0.10000E+01 volume  0.55820E+00 ppm1      8.465 ppm2      8.747
 ASSI { 2368}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   83 and name HB2 ))
      3.300     2.200     2.200 peak  2368 weight  0.10000E+01 volume  0.11957E+01 ppm1      8.556 ppm2      2.287
 ASSI { 2369}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  145 and name HB1 ))
      3.500     2.500     2.000 peak  2369 weight  0.10000E+01 volume  0.83376E+00 ppm1      7.718 ppm2      2.100
 ASSI { 2370}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      3.500     2.500     2.000 peak  2370 weight  0.10000E+01 volume  0.90658E+00 ppm1      7.718 ppm2      1.202
 ASSI { 2371}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  149 and name HB2 ))
      3.800     2.900     1.700 peak  2371 weight  0.10000E+01 volume  0.54441E+00 ppm1      9.550 ppm2      2.577
 OR { 2371}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  149 and name HB1 ))
 ASSI { 2372}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  147 and name HB  ))
      3.600     2.600     1.900 peak  2372 weight  0.10000E+01 volume  0.69713E+00 ppm1      9.557 ppm2      2.390
 ASSI { 2373}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  164 and name HB2 ))
      3.800     2.900     1.700 peak  2373 weight  0.10000E+01 volume  0.49561E+00 ppm1      9.554 ppm2      3.084
 OR { 2373}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  164 and name HB1 ))
 ASSI { 2375}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      3.700     2.700     1.800 peak  2375 weight  0.10000E+01 volume  0.63019E+00 ppm1      8.080 ppm2      0.609
 ASSI { 2376}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  149 and name HN  ))
      3.700     2.700     1.800 peak  2376 weight  0.10000E+01 volume  0.57101E+00 ppm1      8.758 ppm2      8.085
 ASSI { 2379}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  150 and name HA  ))
      3.500     2.500     2.000 peak  2379 weight  0.10000E+01 volume  0.90000E+00 ppm1      8.742 ppm2      5.400
 ASSI { 2386}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.700     2.700     1.800 peak  2386 weight  0.10000E+01 volume  0.63415E+00 ppm1      8.746 ppm2      1.547
 ASSI { 2390}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  153 and name HB2 ))
      3.600     2.600     1.900 peak  2390 weight  0.10000E+01 volume  0.76632E+00 ppm1      8.907 ppm2      3.341
 OR { 2390}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  153 and name HB1 ))
 ASSI { 2391}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HD1 ))
      3.700     2.700     1.800 peak  2391 weight  0.10000E+01 volume  0.60333E+00 ppm1      8.912 ppm2      3.126
 ASSI { 2397}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HD1 ))
      3.600     2.600     1.900 peak  2397 weight  0.10000E+01 volume  0.66797E+00 ppm1      9.838 ppm2      3.215
 OR { 2397}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HD2 ))
 ASSI { 2398}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  153 and name HN  ))
      3.800     2.900     1.700 peak  2398 weight  0.10000E+01 volume  0.54476E+00 ppm1      8.472 ppm2      8.230
 ASSI { 2400}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  156 and name HN  ))
      3.700     2.700     1.800 peak  2400 weight  0.10000E+01 volume  0.64023E+00 ppm1      8.479 ppm2      7.654
 ASSI { 2404}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   96 and name HB1 ))
      3.700     2.700     1.800 peak  2404 weight  0.10000E+01 volume  0.64030E+00 ppm1      6.826 ppm2      2.837
 ASSI { 2406}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  158 and name HN  ))
      3.600     2.600     1.900 peak  2406 weight  0.10000E+01 volume  0.70082E+00 ppm1      9.124 ppm2      9.847
 ASSI { 2410}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      3.600     2.600     1.900 peak  2410 weight  0.10000E+01 volume  0.74572E+00 ppm1      8.734 ppm2      1.136
 ASSI { 2412}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  166 and name HB1 ))
      3.600     2.600     1.900 peak  2412 weight  0.10000E+01 volume  0.73015E+00 ppm1      8.496 ppm2      2.777
 ASSI { 2413}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  166 and name HB2 ))
      3.800     2.900     1.700 peak  2413 weight  0.10000E+01 volume  0.55052E+00 ppm1      8.484 ppm2      2.430
 ASSI { 2414}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  168 and name HN  ))
      3.800     2.900     1.700 peak  2414 weight  0.10000E+01 volume  0.55694E+00 ppm1      7.931 ppm2      8.211
 ASSI { 2422}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   69 and name HD1 ))
      3.600     2.600     1.900 peak  2422 weight  0.10000E+01 volume  0.67301E+00 ppm1      8.249 ppm2      6.999
 ASSI { 2423}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   84 and name HB2 ))
      3.400     2.300     2.100 peak  2423 weight  0.10000E+01 volume  0.11042E+01 ppm1      8.255 ppm2      3.960
 OR { 2423}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   84 and name HB1 ))
 ASSI { 2424}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  180 and name HA  ))
      3.600     2.600     1.900 peak  2424 weight  0.10000E+01 volume  0.76206E+00 ppm1      7.048 ppm2      4.248
 ASSI { 2425}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      3.800     2.900     1.700 peak  2425 weight  0.10000E+01 volume  0.54091E+00 ppm1      7.051 ppm2      0.928
 OR { 2425}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 ASSI { 2429}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.700     2.700     1.800 peak  2429 weight  0.10000E+01 volume  0.62872E+00 ppm1      8.308 ppm2      1.592
 ASSI { 2430}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.500     2.500     2.000 peak  2430 weight  0.10000E+01 volume  0.81997E+00 ppm1      9.420 ppm2      1.603
 ASSI { 2431}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  182 and name HN  ))
      3.600     2.600     1.900 peak  2431 weight  0.10000E+01 volume  0.67303E+00 ppm1      8.670 ppm2      7.029
 ASSI { 2432}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  183 and name HN  ))
      3.700     2.700     1.800 peak  2432 weight  0.10000E+01 volume  0.64300E+00 ppm1      7.687 ppm2      8.320
 ASSI { 2437}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.600     2.600     1.900 peak  2437 weight  0.10000E+01 volume  0.69200E+00 ppm1      6.516 ppm2      1.599
 ASSI { 2442}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
      3.500     2.500     2.000 peak  2442 weight  0.10000E+01 volume  0.82302E+00 ppm1      7.541 ppm2      7.051
 OR { 2442}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
 ASSI { 2443}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  199 and name HG  ))
      3.500     2.500     2.000 peak  2443 weight  0.10000E+01 volume  0.84928E+00 ppm1      8.300 ppm2      1.771
 ASSI { 2446}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  127 and name HA2 ))
      3.500     2.500     2.000 peak  2446 weight  0.10000E+01 volume  0.90000E+00 ppm1      7.920 ppm2      4.450
 ASSI { 2449}
   (( segid PTB  and resid  111 and name HE21))
   (( segid PTB  and resid  108 and name HA  ))
      3.500     2.500     2.000 peak  2449 weight  0.10000E+01 volume  0.86103E+00 ppm1      7.353 ppm2      3.639
 ASSI {    1}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  143 and name HA  ))
      2.200     0.800     0.800 peak     1 weight  0.10000E+01 volume  0.69892E+01 ppm1      8.472 ppm2      4.607
 ASSI {    2}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  143 and name HB  ))
      3.100     1.100     1.100 peak     2 weight  0.10000E+01 volume  0.98790E+00 ppm1      8.476 ppm2      4.418
 ASSI {    3}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  144 and name HA  ))
      2.800     1.000     1.000 peak     3 weight  0.10000E+01 volume  0.18970E+01 ppm1      8.468 ppm2      3.950
 ASSI {    4}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      2.500     0.900     0.900 peak     4 weight  0.10000E+01 volume  0.40516E+01 ppm1      8.472 ppm2      1.643
 ASSI {    5}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      3.000     1.000     1.000 peak     5 weight  0.10000E+01 volume  0.11772E+01 ppm1      8.466 ppm2      1.373
 ASSI {    6}
   (( segid PTB  and resid  144 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.800     1.000     1.000 peak     6 weight  0.10000E+01 volume  0.16407E+01 ppm1      8.467 ppm2      1.171
 ASSI {   39}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HA  ))
      2.800     1.000     1.000 peak    39 weight  0.10000E+01 volume  0.19175E+01 ppm1      8.986 ppm2      4.957
 ASSI {   40}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  117 and name HA  ))
      2.000     0.700     0.700 peak    40 weight  0.10000E+01 volume  0.14932E+02 ppm1      8.985 ppm2      4.301
 ASSI {   41}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HB2 ))
      2.600     0.900     0.900 peak    41 weight  0.10000E+01 volume  0.27078E+01 ppm1      8.986 ppm2      2.035
 ASSI {   42}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  118 and name HB1 ))
      2.500     0.900     0.900 peak    42 weight  0.10000E+01 volume  0.34239E+01 ppm1      8.983 ppm2      1.818
 ASSI {   44}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.600     0.900     0.900 peak    44 weight  0.10000E+01 volume  0.26816E+01 ppm1      8.985 ppm2      1.034
 ASSI {   46}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  175 and name HD2 ))
      3.100     1.100     1.100 peak    46 weight  0.10000E+01 volume  0.10611E+01 ppm1      8.719 ppm2      6.665
 ASSI {   47}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  162 and name HN  ))
      3.000     1.000     1.000 peak    47 weight  0.10000E+01 volume  0.11510E+01 ppm1      8.715 ppm2      8.125
 ASSI {   48}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  174 and name HA  ))
      2.400     0.800     0.800 peak    48 weight  0.10000E+01 volume  0.51062E+01 ppm1      8.715 ppm2      5.523
 ASSI {   49}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  175 and name HB1 ))
      2.800     1.000     1.000 peak    49 weight  0.10000E+01 volume  0.18783E+01 ppm1      8.714 ppm2      1.807
 ASSI {   50}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      3.000     1.000     1.000 peak    50 weight  0.10000E+01 volume  0.11734E+01 ppm1      8.709 ppm2      1.330
 ASSI {   53}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.500     0.900     0.900 peak    53 weight  0.10000E+01 volume  0.39381E+01 ppm1      9.703 ppm2      1.602
 ASSI {   54}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  179 and name HA  ))
      3.100     1.100     1.100 peak    54 weight  0.10000E+01 volume  0.10530E+01 ppm1      9.695 ppm2      4.603
 ASSI {   60}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  178 and name HA  ))
      2.300     0.800     0.800 peak    60 weight  0.10000E+01 volume  0.60329E+01 ppm1      9.702 ppm2      4.955
 ASSI {   62}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  166 and name HA  ))
      2.800     1.000     1.000 peak    62 weight  0.10000E+01 volume  0.17555E+01 ppm1      8.740 ppm2      4.687
 ASSI {   63}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  165 and name HA  ))
      2.300     0.800     0.800 peak    63 weight  0.10000E+01 volume  0.53566E+01 ppm1      8.740 ppm2      4.306
 ASSI {   65}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  166 and name HB2 ))
      2.700     0.900     0.900 peak    65 weight  0.10000E+01 volume  0.20369E+01 ppm1      8.738 ppm2      2.444
 ASSI {   69}
   (( segid PTB  and resid   69 and name HE1 ))
   (( segid PTB  and resid   69 and name HZ2 ))
      2.400     0.800     0.800 peak    69 weight  0.10000E+01 volume  0.44806E+01 ppm1     10.233 ppm2      7.324
 ASSI {   70}
   (( segid PTB  and resid   69 and name HE1 ))
   (( segid PTB  and resid   69 and name HD1 ))
      2.100     0.700     0.700 peak    70 weight  0.10000E+01 volume  0.11543E+02 ppm1     10.233 ppm2      6.964
 ASSI {   73}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  131 and name HA  ))
      2.200     0.800     0.800 peak    73 weight  0.10000E+01 volume  0.77706E+01 ppm1      8.900 ppm2      4.866
 ASSI {   74}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  132 and name HA  ))
      2.700     0.900     0.900 peak    74 weight  0.10000E+01 volume  0.22121E+01 ppm1      8.900 ppm2      4.482
 ASSI {   75}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  132 and name HB1 ))
      2.500     0.900     0.900 peak    75 weight  0.10000E+01 volume  0.38679E+01 ppm1      8.902 ppm2      2.971
 ASSI {   76}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
      2.600     0.900     0.900 peak    76 weight  0.10000E+01 volume  0.29201E+01 ppm1      8.900 ppm2      2.606
 ASSI {   77}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  139 and name HG11))
      3.100     1.100     1.100 peak    77 weight  0.10000E+01 volume  0.10413E+01 ppm1      8.900 ppm2      1.309
 OR {   77}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  139 and name HG12))
 ASSI {   78}
   (( segid PTB  and resid  132 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      2.700     0.900     0.900 peak    78 weight  0.10000E+01 volume  0.24728E+01 ppm1      8.899 ppm2      0.817
 ASSI {   92}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  130 and name HA  ))
      2.300     0.800     0.800 peak    92 weight  0.10000E+01 volume  0.67399E+01 ppm1      8.734 ppm2      5.345
 ASSI {   93}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  131 and name HA  ))
      3.000     1.000     1.000 peak    93 weight  0.10000E+01 volume  0.13101E+01 ppm1      8.732 ppm2      4.859
 ASSI {   94}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  131 and name HB  ))
      2.700     0.900     0.900 peak    94 weight  0.10000E+01 volume  0.24546E+01 ppm1      8.737 ppm2      1.919
 ASSI {   95}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.900     1.000     1.000 peak    95 weight  0.10000E+01 volume  0.15750E+01 ppm1      8.734 ppm2      0.629
 ASSI {   96}
   (( segid PTB  and resid  131 and name HN  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.700     0.900     0.900 peak    96 weight  0.10000E+01 volume  0.22513E+01 ppm1      8.728 ppm2      0.892
 ASSI {  111}
   (( segid PTB  and resid  172 and name HE1 ))
   (( segid PTB  and resid  172 and name HZ2 ))
      2.300     0.800     0.800 peak   111 weight  0.10000E+01 volume  0.64443E+01 ppm1     10.026 ppm2      7.562
 ASSI {  116}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   99 and name HB2 ))
      2.800     1.000     1.000 peak   116 weight  0.10000E+01 volume  0.17002E+01 ppm1      9.115 ppm2      2.165
 ASSI {  117}
   (( segid PTB  and resid  157 and name HN  ))
   (( segid PTB  and resid  158 and name HE  ))
      3.200     1.100     1.100 peak   117 weight  0.10000E+01 volume  0.83180E+00 ppm1      9.106 ppm2      7.265
 ASSI {  118}
   (( segid PTB  and resid   99 and name HN  ))
   (( segid PTB  and resid   98 and name HA2 ))
      2.900     1.000     1.000 peak   118 weight  0.10000E+01 volume  0.14411E+01 ppm1      9.104 ppm2      4.299
 ASSI {  122}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   91 and name HA  ))
      2.200     0.800     0.800 peak   122 weight  0.10000E+01 volume  0.84798E+01 ppm1      8.421 ppm2      4.390
 ASSI {  123}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   91 and name HB  ))
      2.900     1.000     1.000 peak   123 weight  0.10000E+01 volume  0.15532E+01 ppm1      8.416 ppm2      1.943
 ASSI {  129}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  121 and name HA  ))
      2.400     0.800     0.800 peak   129 weight  0.10000E+01 volume  0.52114E+01 ppm1      9.821 ppm2      5.097
 ASSI {  130}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  122 and name HB2 ))
      2.700     0.900     0.900 peak   130 weight  0.10000E+01 volume  0.22495E+01 ppm1      9.821 ppm2      2.988
 ASSI {  132}
   (( segid PTB  and resid   92 and name HN  ))
   (( segid PTB  and resid   92 and name HA  ))
      3.000     1.000     1.000 peak   132 weight  0.10000E+01 volume  0.11845E+01 ppm1      8.420 ppm2      5.022
 ASSI {  135}
   (( segid PTB  and resid  122 and name HN  ))
   (( segid PTB  and resid  130 and name HA  ))
      3.000     1.000     1.000 peak   135 weight  0.10000E+01 volume  0.11464E+01 ppm1      9.819 ppm2      5.334
 ASSI {  140}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  134 and name HN  ))
      2.700     0.900     0.900 peak   140 weight  0.10000E+01 volume  0.23318E+01 ppm1      9.128 ppm2      8.817
 ASSI {  142}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  119 and name HA2 ))
      2.600     0.900     0.900 peak   142 weight  0.10000E+01 volume  0.28431E+01 ppm1      9.124 ppm2      4.651
 ASSI {  144}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  119 and name HA1 ))
      2.900     1.000     1.000 peak   144 weight  0.10000E+01 volume  0.13339E+01 ppm1      9.121 ppm2      4.197
 ASSI {  145}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  133 and name HB1 ))
      2.300     0.800     0.800 peak   145 weight  0.10000E+01 volume  0.63477E+01 ppm1      9.122 ppm2      2.583
 OR {  145}
   (( segid PTB  and resid  133 and name HN  ))
   (( segid PTB  and resid  133 and name HB2 ))
 ASSI {  147}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  141 and name HA  ))
      2.700     0.900     0.900 peak   147 weight  0.10000E+01 volume  0.22468E+01 ppm1      8.691 ppm2      4.915
 ASSI {  148}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  141 and name HB1 ))
      2.700     0.900     0.900 peak   148 weight  0.10000E+01 volume  0.22841E+01 ppm1      8.690 ppm2      2.837
 ASSI {  149}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  140 and name HA  ))
      2.000     0.700     0.700 peak   149 weight  0.10000E+01 volume  0.13719E+02 ppm1      8.686 ppm2      4.078
 ASSI {  150}
   (( segid PTB  and resid  141 and name HN  ))
   (( segid PTB  and resid  141 and name HB2 ))
      3.000     1.000     1.000 peak   150 weight  0.10000E+01 volume  0.12605E+01 ppm1      8.687 ppm2      2.289
 ASSI {  152}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HG  ))
      3.000     1.000     1.000 peak   152 weight  0.10000E+01 volume  0.11259E+01 ppm1      8.369 ppm2      1.059
 ASSI {  155}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   87 and name HA  ))
      2.500     0.900     0.900 peak   155 weight  0.10000E+01 volume  0.32165E+01 ppm1      8.357 ppm2      4.770
 ASSI {  156}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HB1 ))
      2.800     1.000     1.000 peak   156 weight  0.10000E+01 volume  0.19784E+01 ppm1      8.353 ppm2      1.349
 OR {  156}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HB2 ))
 ASSI {  157}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid  177 and name HA  ))
      3.000     1.000     1.000 peak   157 weight  0.10000E+01 volume  0.13058E+01 ppm1      8.349 ppm2      5.451
 ASSI {  158}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      3.100     1.100     1.100 peak   158 weight  0.10000E+01 volume  0.97080E+00 ppm1      8.348 ppm2      0.609
 OR {  158}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI {  162}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  115 and name HA  ))
      2.600     0.900     0.900 peak   162 weight  0.10000E+01 volume  0.29035E+01 ppm1      8.653 ppm2      4.482
 ASSI {  163}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  114 and name HA  ))
      2.000     0.700     0.700 peak   163 weight  0.10000E+01 volume  0.13958E+02 ppm1      8.655 ppm2      4.223
 ASSI {  164}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  115 and name HB2 ))
      2.200     0.800     0.800 peak   164 weight  0.10000E+01 volume  0.87217E+01 ppm1      8.655 ppm2      1.794
 OR {  164}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  115 and name HB1 ))
 OR {  164}
   (( segid PTB  and resid  115 and name HN  ))
   (( segid PTB  and resid  115 and name HG2 ))
 ASSI {  167}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  148 and name HN  ))
      2.600     0.900     0.900 peak   167 weight  0.10000E+01 volume  0.28824E+01 ppm1      8.076 ppm2      9.563
 ASSI {  168}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  163 and name HN  ))
      3.100     1.100     1.100 peak   168 weight  0.10000E+01 volume  0.96080E+00 ppm1      8.082 ppm2      9.135
 ASSI {  169}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  149 and name HA  ))
      2.900     1.000     1.000 peak   169 weight  0.10000E+01 volume  0.16272E+01 ppm1      8.080 ppm2      5.541
 ASSI {  170}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.600     0.900     0.900 peak   170 weight  0.10000E+01 volume  0.25456E+01 ppm1      8.075 ppm2      1.367
 ASSI {  185}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HA  ))
      2.900     1.000     1.000 peak   185 weight  0.10000E+01 volume  0.15664E+01 ppm1      8.909 ppm2      4.101
 ASSI {  186}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HB2 ))
      2.500     0.900     0.900 peak   186 weight  0.10000E+01 volume  0.33036E+01 ppm1      8.912 ppm2      1.823
 OR {  186}
   (( segid PTB  and resid  154 and name HN  ))
   (( segid PTB  and resid  154 and name HB1 ))
 ASSI {  209}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  131 and name HA  ))
      3.000     1.000     1.000 peak   209 weight  0.10000E+01 volume  0.11792E+01 ppm1      8.806 ppm2      4.860
 ASSI {  210}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  139 and name HB  ))
      2.800     1.000     1.000 peak   210 weight  0.10000E+01 volume  0.18724E+01 ppm1      8.806 ppm2      1.758
 ASSI {  213}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  195 and name HN  ))
      2.600     0.900     0.900 peak   213 weight  0.10000E+01 volume  0.27693E+01 ppm1      7.548 ppm2      8.257
 ASSI {  214}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  193 and name HB1 ))
      2.800     1.000     1.000 peak   214 weight  0.10000E+01 volume  0.17861E+01 ppm1      7.550 ppm2      3.052
 ASSI {  215}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  193 and name HB2 ))
      3.100     1.100     1.100 peak   215 weight  0.10000E+01 volume  0.10600E+01 ppm1      7.549 ppm2      2.579
 ASSI {  217}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.300     0.800     0.800 peak   217 weight  0.10000E+01 volume  0.61027E+01 ppm1      7.545 ppm2      1.255
 ASSI {  219}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  138 and name HA  ))
      2.300     0.800     0.800 peak   219 weight  0.10000E+01 volume  0.54150E+01 ppm1      8.806 ppm2      4.548
 ASSI {  220}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  139 and name HA  ))
      2.900     1.000     1.000 peak   220 weight  0.10000E+01 volume  0.14552E+01 ppm1      8.808 ppm2      4.265
 ASSI {  221}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  139 and name HG11))
      2.600     0.900     0.900 peak   221 weight  0.10000E+01 volume  0.26637E+01 ppm1      8.810 ppm2      1.326
 ASSI {  222}
   (( segid PTB  and resid  139 and name HN  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.800     1.000     1.000 peak   222 weight  0.10000E+01 volume  0.18449E+01 ppm1      8.809 ppm2      0.858
 ASSI {  228}
   (( segid PTB  and resid  208 and name HN  ))
   (( segid PTB  and resid  208 and name HB1 )
     OR 
    ( segid PTB  and resid  208 and name HB3 )
     OR 
    ( segid PTB  and resid  208 and name HB2 ))
      2.800     1.000     1.000 peak   228 weight  0.10000E+01 volume  0.19497E+01 ppm1      8.232 ppm2      1.417
 ASSI {  231}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid  194 and name HA  ))
      2.700     0.900     0.900 peak   231 weight  0.10000E+01 volume  0.22951E+01 ppm1      7.544 ppm2      3.584
 ASSI {  234}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid  117 and name HN  ))
      3.000     1.000     1.000 peak   234 weight  0.10000E+01 volume  0.11962E+01 ppm1      9.666 ppm2      8.046
 ASSI {  238}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   86 and name HA  ))
      2.300     0.800     0.800 peak   238 weight  0.10000E+01 volume  0.65853E+01 ppm1      9.673 ppm2      4.996
 ASSI {  239}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   87 and name HB1 ))
      2.700     0.900     0.900 peak   239 weight  0.10000E+01 volume  0.21147E+01 ppm1      9.674 ppm2      2.889
 ASSI {  240}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   87 and name HB2 ))
      3.000     1.000     1.000 peak   240 weight  0.10000E+01 volume  0.13206E+01 ppm1      9.673 ppm2      2.763
 ASSI {  244}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HA  ))
      3.000     1.000     1.000 peak   244 weight  0.10000E+01 volume  0.12620E+01 ppm1      8.811 ppm2      5.304
 ASSI {  247}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.800     1.000     1.000 peak   247 weight  0.10000E+01 volume  0.18727E+01 ppm1      8.814 ppm2      0.808
 ASSI {  248}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  142 and name HA  ))
      2.700     0.900     0.900 peak   248 weight  0.10000E+01 volume  0.22688E+01 ppm1      8.803 ppm2      4.458
 ASSI {  252}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  143 and name HA  ))
      2.800     1.000     1.000 peak   252 weight  0.10000E+01 volume  0.17273E+01 ppm1      8.739 ppm2      4.604
 ASSI {  253}
   (( segid PTB  and resid  143 and name HN  ))
   (( segid PTB  and resid  142 and name HA  ))
      2.100     0.700     0.700 peak   253 weight  0.10000E+01 volume  0.89735E+01 ppm1      8.740 ppm2      4.454
 ASSI {  257}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   81 and name HA  ))
      2.000     0.700     0.700 peak   257 weight  0.10000E+01 volume  0.12380E+02 ppm1      8.010 ppm2      4.221
 ASSI {  261}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  141 and name HA  ))
      2.300     0.800     0.800 peak   261 weight  0.10000E+01 volume  0.63400E+01 ppm1      8.815 ppm2      4.923
 ASSI {  265}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   82 and name HB2 ))
      3.200     1.100     1.100 peak   265 weight  0.10000E+01 volume  0.88480E+00 ppm1      8.022 ppm2      3.398
 ASSI {  266}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   82 and name HA  ))
      2.700     0.900     0.900 peak   266 weight  0.10000E+01 volume  0.21450E+01 ppm1      8.009 ppm2      5.420
 ASSI {  268}
   (( segid PTB  and resid   82 and name HN  ))
   (( segid PTB  and resid   82 and name HB1 ))
      3.000     1.000     1.000 peak   268 weight  0.10000E+01 volume  0.10913E+01 ppm1      8.007 ppm2      3.025
 ASSI {  269}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  177 and name HN  ))
      3.100     1.100     1.100 peak   269 weight  0.10000E+01 volume  0.10877E+01 ppm1      8.827 ppm2      9.164
 ASSI {  270}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  159 and name HA1 ))
      2.700     0.900     0.900 peak   270 weight  0.10000E+01 volume  0.24770E+01 ppm1      8.826 ppm2      3.612
 OR {  270}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  159 and name HA2 ))
 ASSI {  271}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  160 and name HB2 ))
      2.900     1.000     1.000 peak   271 weight  0.10000E+01 volume  0.14143E+01 ppm1      8.832 ppm2      2.381
 ASSI {  272}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   69 and name HB2 ))
      3.200     1.100     1.100 peak   272 weight  0.10000E+01 volume  0.83800E+00 ppm1      8.123 ppm2      3.265
 ASSI {  274}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   80 and name HA  ))
      2.700     0.900     0.900 peak   274 weight  0.10000E+01 volume  0.20610E+01 ppm1      7.446 ppm2      4.532
 ASSI {  275}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   81 and name HB1 ))
      2.800     1.000     1.000 peak   275 weight  0.10000E+01 volume  0.19755E+01 ppm1      7.447 ppm2      3.076
 ASSI {  276}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      3.200     1.100     1.100 peak   276 weight  0.10000E+01 volume  0.80530E+00 ppm1      7.451 ppm2      1.342
 ASSI {  277}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   80 and name HN  ))
      2.500     0.900     0.900 peak   277 weight  0.10000E+01 volume  0.36622E+01 ppm1      7.444 ppm2      8.604
 ASSI {  279}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   81 and name HA  ))
      2.800     1.000     1.000 peak   279 weight  0.10000E+01 volume  0.19497E+01 ppm1      7.441 ppm2      4.206
 ASSI {  280}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   76 and name HA  ))
      3.200     1.100     1.100 peak   280 weight  0.10000E+01 volume  0.83860E+00 ppm1      7.438 ppm2      3.706
 ASSI {  281}
   (( segid PTB  and resid   81 and name HN  ))
   (( segid PTB  and resid   81 and name HB2 ))
      2.700     0.900     0.900 peak   281 weight  0.10000E+01 volume  0.20917E+01 ppm1      7.437 ppm2      2.204
 ASSI {  282}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   83 and name HN  ))
      3.000     1.000     1.000 peak   282 weight  0.10000E+01 volume  0.13160E+01 ppm1      9.072 ppm2      8.567
 ASSI {  283}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  120 and name HA  ))
      2.300     0.800     0.800 peak   283 weight  0.10000E+01 volume  0.63255E+01 ppm1      9.069 ppm2      5.197
 ASSI {  284}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  121 and name HB2 ))
      2.800     1.000     1.000 peak   284 weight  0.10000E+01 volume  0.18314E+01 ppm1      9.069 ppm2      1.834
 OR {  284}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  121 and name HB1 ))
 ASSI {  287}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.800     1.000     1.000 peak   287 weight  0.10000E+01 volume  0.18635E+01 ppm1      9.064 ppm2      0.907
 ASSI {  288}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  160 and name HA  ))
      3.000     1.000     1.000 peak   288 weight  0.10000E+01 volume  0.11063E+01 ppm1      8.819 ppm2      5.152
 ASSI {  289}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      3.200     1.100     1.100 peak   289 weight  0.10000E+01 volume  0.89590E+00 ppm1      8.817 ppm2      0.568
 ASSI {  298}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   65 and name HG2 ))
      3.000     1.000     1.000 peak   298 weight  0.10000E+01 volume  0.11535E+01 ppm1      8.133 ppm2      1.287
 ASSI {  303}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   65 and name HB2 ))
      2.200     0.800     0.800 peak   303 weight  0.10000E+01 volume  0.71022E+01 ppm1      8.129 ppm2      1.614
 OR {  303}
   (( segid PTB  and resid   65 and name HN  ))
   (( segid PTB  and resid   65 and name HB1 ))
 ASSI {  304}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid   80 and name HN  ))
      2.600     0.900     0.900 peak   304 weight  0.10000E+01 volume  0.26895E+01 ppm1      8.102 ppm2      8.607
 ASSI {  305}
   (( segid PTB  and resid   79 and name HN  ))
   (( segid PTB  and resid   79 and name HA  ))
      2.200     0.800     0.800 peak   305 weight  0.10000E+01 volume  0.83419E+01 ppm1      8.100 ppm2      4.156
 ASSI {  307}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  138 and name HA  ))
      2.700     0.900     0.900 peak   307 weight  0.10000E+01 volume  0.24039E+01 ppm1      8.445 ppm2      4.549
 ASSI {  308}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  137 and name HA1 ))
      2.200     0.800     0.800 peak   308 weight  0.10000E+01 volume  0.88894E+01 ppm1      8.445 ppm2      4.160
 ASSI {  309}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  137 and name HA2 ))
      2.400     0.800     0.800 peak   309 weight  0.10000E+01 volume  0.46981E+01 ppm1      8.444 ppm2      3.559
 ASSI {  310}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  138 and name HB2 ))
      2.300     0.800     0.800 peak   310 weight  0.10000E+01 volume  0.60157E+01 ppm1      8.446 ppm2      1.680
 ASSI {  311}
   (( segid PTB  and resid  138 and name HN  ))
   (( segid PTB  and resid  138 and name HB1 ))
      2.400     0.800     0.800 peak   311 weight  0.10000E+01 volume  0.51627E+01 ppm1      8.445 ppm2      1.507
 ASSI {  314}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  122 and name HA  ))
      2.400     0.800     0.800 peak   314 weight  0.10000E+01 volume  0.48370E+01 ppm1      8.321 ppm2      4.965
 ASSI {  315}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  123 and name HB  ))
      2.700     0.900     0.900 peak   315 weight  0.10000E+01 volume  0.21401E+01 ppm1      8.317 ppm2      1.809
 ASSI {  316}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.700     0.900     0.900 peak   316 weight  0.10000E+01 volume  0.20396E+01 ppm1      8.314 ppm2      0.684
 ASSI {  322}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      3.000     1.000     1.000 peak   322 weight  0.10000E+01 volume  0.11662E+01 ppm1      9.186 ppm2      0.802
 ASSI {  323}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      3.100     1.100     1.100 peak   323 weight  0.10000E+01 volume  0.92630E+00 ppm1      9.190 ppm2      0.661
 ASSI {  325}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid   91 and name HN  ))
      3.000     1.000     1.000 peak   325 weight  0.10000E+01 volume  0.12251E+01 ppm1      9.176 ppm2      8.344
 ASSI {  326}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  174 and name HA  ))
      3.200     1.100     1.100 peak   326 weight  0.10000E+01 volume  0.82940E+00 ppm1      9.183 ppm2      5.536
 ASSI {  327}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  173 and name HA  ))
      2.400     0.800     0.800 peak   327 weight  0.10000E+01 volume  0.51738E+01 ppm1      9.179 ppm2      5.279
 ASSI {  330}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  171 and name HA  ))
      2.400     0.800     0.800 peak   330 weight  0.10000E+01 volume  0.43888E+01 ppm1      8.690 ppm2      4.302
 ASSI {  331}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  171 and name HD2 ))
      2.900     1.000     1.000 peak   331 weight  0.10000E+01 volume  0.14931E+01 ppm1      8.695 ppm2      3.138
 ASSI {  332}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  171 and name HB2 ))
      2.900     1.000     1.000 peak   332 weight  0.10000E+01 volume  0.15841E+01 ppm1      8.694 ppm2      1.647
 OR {  332}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  171 and name HB1 ))
 ASSI {  333}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid   93 and name HN  ))
      2.700     2.700     1.800 peak   333 weight  0.10000E+01 volume  0.20994E+01 ppm1      8.659 ppm2      8.257
 ASSI {  340}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   74 and name HN  ))
      3.000     1.000     1.000 peak   340 weight  0.10000E+01 volume  0.11958E+01 ppm1      7.875 ppm2      7.730
 ASSI {  341}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   75 and name HA  ))
      2.600     0.900     0.900 peak   341 weight  0.10000E+01 volume  0.25588E+01 ppm1      7.870 ppm2      4.072
 ASSI {  342}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.300     0.800     0.800 peak   342 weight  0.10000E+01 volume  0.66433E+01 ppm1      7.870 ppm2      1.345
 ASSI {  343}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   76 and name HN  ))
      2.700     0.900     0.900 peak   343 weight  0.10000E+01 volume  0.22656E+01 ppm1      7.867 ppm2      8.587
 ASSI {  345}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   74 and name HB2 ))
      2.600     0.900     0.900 peak   345 weight  0.10000E+01 volume  0.25587E+01 ppm1      7.868 ppm2      2.086
 OR {  345}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   74 and name HB1 ))
 ASSI {  358}
   (( segid PTB  and resid   75 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
      3.000     1.000     1.000 peak   358 weight  0.10000E+01 volume  0.12889E+01 ppm1      7.872 ppm2      4.484
 ASSI {  361}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  106 and name HN  ))
      2.500     0.900     0.900 peak   361 weight  0.10000E+01 volume  0.38109E+01 ppm1      7.620 ppm2      8.520
 ASSI {  362}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  104 and name HN  ))
      2.500     0.900     0.900 peak   362 weight  0.10000E+01 volume  0.39812E+01 ppm1      7.621 ppm2      8.180
 ASSI {  364}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
      3.200     1.100     1.100 peak   364 weight  0.10000E+01 volume  0.80280E+00 ppm1      7.626 ppm2      4.183
 ASSI {  367}
   (( segid PTB  and resid  105 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.200     0.800     0.800 peak   367 weight  0.10000E+01 volume  0.73382E+01 ppm1      7.620 ppm2      1.319
 ASSI {  372}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  131 and name HN  ))
      2.800     1.000     1.000 peak   372 weight  0.10000E+01 volume  0.17535E+01 ppm1      8.561 ppm2      8.732
 ASSI {  374}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  120 and name HA  ))
      3.100     1.100     1.100 peak   374 weight  0.10000E+01 volume  0.10810E+01 ppm1      8.557 ppm2      5.196
 ASSI {  375}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  119 and name HA2 ))
      2.600     0.900     0.900 peak   375 weight  0.10000E+01 volume  0.30794E+01 ppm1      8.561 ppm2      4.654
 ASSI {  376}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  119 and name HA1 ))
      2.400     0.800     0.800 peak   376 weight  0.10000E+01 volume  0.49026E+01 ppm1      8.562 ppm2      4.205
 ASSI {  377}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  120 and name HB2 ))
      2.500     0.900     0.900 peak   377 weight  0.10000E+01 volume  0.34483E+01 ppm1      8.561 ppm2      1.543
 OR {  377}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  120 and name HB1 ))
 ASSI {  379}
   (( segid PTB  and resid  120 and name HN  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      3.200     1.100     1.100 peak   379 weight  0.10000E+01 volume  0.80480E+00 ppm1      8.552 ppm2      0.613
 ASSI {  382}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  189 and name HN  ))
      2.700     0.900     0.900 peak   382 weight  0.10000E+01 volume  0.20315E+01 ppm1      7.360 ppm2      8.073
 ASSI {  387}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.300     0.800     0.800 peak   387 weight  0.10000E+01 volume  0.59100E+01 ppm1      7.362 ppm2      1.454
 ASSI {  388}
   (( segid PTB  and resid  190 and name HN  ))
   (( segid PTB  and resid  190 and name HA  ))
      2.800     1.000     1.000 peak   388 weight  0.10000E+01 volume  0.18708E+01 ppm1      7.354 ppm2      3.539
 ASSI {  394}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  140 and name HN  ))
      2.800     1.000     1.000 peak   394 weight  0.10000E+01 volume  0.18960E+01 ppm1      8.872 ppm2      7.267
 ASSI {  403}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.000     1.000     1.000 peak   403 weight  0.10000E+01 volume  0.11134E+01 ppm1      6.514 ppm2      1.426
 ASSI {  404}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  187 and name HB2 ))
      2.700     0.900     0.900 peak   404 weight  0.10000E+01 volume  0.22588E+01 ppm1      6.514 ppm2      0.646
 OR {  404}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  187 and name HB1 ))
 ASSI {  405}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
      2.600     0.900     0.900 peak   405 weight  0.10000E+01 volume  0.31620E+01 ppm1      6.512 ppm2     -0.114
 ASSI {  407}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  140 and name HB  ))
      2.700     0.900     0.900 peak   407 weight  0.10000E+01 volume  0.23129E+01 ppm1      8.870 ppm2      1.561
 ASSI {  408}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.600     0.900     0.900 peak   408 weight  0.10000E+01 volume  0.27701E+01 ppm1      8.875 ppm2      0.860
 ASSI {  411}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   71 and name HA  ))
      2.600     0.900     0.900 peak   411 weight  0.10000E+01 volume  0.29112E+01 ppm1      8.375 ppm2      4.220
 ASSI {  412}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   70 and name HB2 ))
      2.800     1.000     1.000 peak   412 weight  0.10000E+01 volume  0.18432E+01 ppm1      8.376 ppm2      2.134
 ASSI {  413}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      2.300     0.800     0.800 peak   413 weight  0.10000E+01 volume  0.66426E+01 ppm1      8.377 ppm2      1.500
 ASSI {  417}
   (( segid PTB  and resid  187 and name HN  ))
   (( segid PTB  and resid  187 and name HA  ))
      2.900     1.000     1.000 peak   417 weight  0.10000E+01 volume  0.13361E+01 ppm1      6.515 ppm2      2.681
 ASSI {  418}
   (( segid PTB  and resid   71 and name HN  ))
   (( segid PTB  and resid   70 and name HN  ))
      2.700     0.900     0.900 peak   418 weight  0.10000E+01 volume  0.24219E+01 ppm1      8.373 ppm2      7.962
 ASSI {  422}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  186 and name HA  ))
      3.000     1.000     1.000 peak   422 weight  0.10000E+01 volume  0.13293E+01 ppm1      7.701 ppm2      2.974
 ASSI {  423}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  185 and name HB2 ))
      3.000     1.000     1.000 peak   423 weight  0.10000E+01 volume  0.13029E+01 ppm1      7.699 ppm2      2.240
 OR {  423}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  185 and name HB1 ))
 ASSI {  424}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  185 and name HN  ))
      3.000     1.000     1.000 peak   424 weight  0.10000E+01 volume  0.11397E+01 ppm1      7.686 ppm2      8.657
 ASSI {  425}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  187 and name HN  ))
      2.800     1.000     1.000 peak   425 weight  0.10000E+01 volume  0.18141E+01 ppm1      7.690 ppm2      6.522
 ASSI {  426}
   (( segid PTB  and resid  186 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.600     2.600     1.900 peak   426 weight  0.10000E+01 volume  0.25639E+01 ppm1      7.692 ppm2      1.440
 ASSI {  432}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  151 and name HN  ))
      3.100     3.100     1.400 peak   432 weight  0.10000E+01 volume  0.10100E+01 ppm1      8.751 ppm2      8.593
 ASSI {  434}
   (( segid PTB  and resid  150 and name HN  ))
   (( segid PTB  and resid  149 and name HA  ))
      2.500     0.900     0.900 peak   434 weight  0.10000E+01 volume  0.37552E+01 ppm1      8.741 ppm2      5.538
 ASSI {  442}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  108 and name HN  ))
      2.700     0.900     0.900 peak   442 weight  0.10000E+01 volume  0.23021E+01 ppm1      8.557 ppm2      7.441
 ASSI {  444}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  108 and name HB  ))
      2.700     0.900     0.900 peak   444 weight  0.10000E+01 volume  0.24272E+01 ppm1      8.562 ppm2      2.274
 ASSI {  446}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  129 and name HG2 ))
      2.300     0.800     0.800 peak   446 weight  0.10000E+01 volume  0.64274E+01 ppm1      8.564 ppm2      1.594
 OR {  446}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  129 and name HG1 ))
 ASSI {  448}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.100     1.100     1.100 peak   448 weight  0.10000E+01 volume  0.92080E+00 ppm1      8.557 ppm2      0.446
 ASSI {  449}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  109 and name HB1 ))
      2.900     1.000     1.000 peak   449 weight  0.10000E+01 volume  0.15864E+01 ppm1      8.556 ppm2      1.079
 OR {  449}
   (( segid PTB  and resid  109 and name HN  ))
   (( segid PTB  and resid  109 and name HB2 ))
 ASSI {  455}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  116 and name HA  ))
      2.100     0.700     0.700 peak   455 weight  0.10000E+01 volume  0.91263E+01 ppm1      8.037 ppm2      4.504
 ASSI {  456}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  117 and name HA  ))
      2.700     0.900     0.900 peak   456 weight  0.10000E+01 volume  0.22090E+01 ppm1      8.035 ppm2      4.303
 ASSI {  457}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  117 and name HB  ))
      2.500     0.900     0.900 peak   457 weight  0.10000E+01 volume  0.40375E+01 ppm1      8.035 ppm2      2.164
 ASSI {  458}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  116 and name HB1 ))
      2.800     1.000     1.000 peak   458 weight  0.10000E+01 volume  0.17013E+01 ppm1      8.035 ppm2      1.979
 OR {  458}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  116 and name HG1 ))
 ASSI {  459}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  116 and name HB2 ))
      2.800     1.000     1.000 peak   459 weight  0.10000E+01 volume  0.16492E+01 ppm1      8.037 ppm2      1.598
 ASSI {  460}
   (( segid PTB  and resid  117 and name HN  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.600     0.900     0.900 peak   460 weight  0.10000E+01 volume  0.27851E+01 ppm1      8.037 ppm2      1.148
 ASSI {  476}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  122 and name HB2 ))
      3.100     1.100     1.100 peak   476 weight  0.10000E+01 volume  0.10691E+01 ppm1      8.574 ppm2      2.982
 OR {  476}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  122 and name HB1 ))
 ASSI {  477}
   (( segid PTB  and resid  129 and name HN  ))
   (( segid PTB  and resid  122 and name HN  ))
      3.000     1.000     1.000 peak   477 weight  0.10000E+01 volume  0.11946E+01 ppm1      8.566 ppm2      9.822
 ASSI {  482}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HB2 ))
      3.200     1.100     1.100 peak   482 weight  0.10000E+01 volume  0.80630E+00 ppm1      8.458 ppm2      2.015
 ASSI {  483}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HB1 ))
      2.700     0.900     0.900 peak   483 weight  0.10000E+01 volume  0.22219E+01 ppm1      8.460 ppm2      1.808
 ASSI {  484}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HG1 ))
      3.000     1.000     1.000 peak   484 weight  0.10000E+01 volume  0.12930E+01 ppm1      8.463 ppm2      1.690
 OR {  484}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  113 and name HG2 ))
 ASSI {  487}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   68 and name HA  ))
      3.200     1.100     1.100 peak   487 weight  0.10000E+01 volume  0.87370E+00 ppm1      8.379 ppm2      4.047
 ASSI {  488}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   68 and name HB1 ))
      3.000     1.000     1.000 peak   488 weight  0.10000E+01 volume  0.11511E+01 ppm1      8.365 ppm2      1.840
 OR {  488}
   (( segid PTB  and resid   68 and name HN  ))
   (( segid PTB  and resid   68 and name HB2 ))
 ASSI {  489}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  123 and name HA  ))
      2.100     0.700     0.700 peak   489 weight  0.10000E+01 volume  0.10184E+02 ppm1      8.326 ppm2      4.304
 ASSI {  490}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      2.700     0.900     0.900 peak   490 weight  0.10000E+01 volume  0.23889E+01 ppm1      8.328 ppm2      0.587
 ASSI {  493}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  124 and name HA  ))
      2.800     1.000     1.000 peak   493 weight  0.10000E+01 volume  0.19089E+01 ppm1      8.321 ppm2      5.163
 ASSI {  494}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
      2.800     1.000     1.000 peak   494 weight  0.10000E+01 volume  0.17231E+01 ppm1      8.317 ppm2      0.760
 ASSI {  502}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  164 and name HA  ))
      3.100     1.100     1.100 peak   502 weight  0.10000E+01 volume  0.96210E+00 ppm1      9.721 ppm2      5.956
 ASSI {  503}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  163 and name HA  ))
      2.300     0.800     0.800 peak   503 weight  0.10000E+01 volume  0.65392E+01 ppm1      9.720 ppm2      5.461
 ASSI {  504}
   (( segid PTB  and resid  164 and name HN  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.600     0.900     0.900 peak   504 weight  0.10000E+01 volume  0.31826E+01 ppm1      9.722 ppm2      0.987
 ASSI {  508}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  113 and name HN  ))
      2.600     0.900     0.900 peak   508 weight  0.10000E+01 volume  0.29736E+01 ppm1      7.911 ppm2      8.466
 ASSI {  511}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  114 and name HB2 ))
      2.200     0.800     0.800 peak   511 weight  0.10000E+01 volume  0.71582E+01 ppm1      7.909 ppm2      1.674
 OR {  511}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  114 and name HB1 ))
 ASSI {  513}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  146 and name HN  ))
      2.500     0.900     0.900 peak   513 weight  0.10000E+01 volume  0.33053E+01 ppm1      7.715 ppm2      6.642
 ASSI {  515}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  147 and name HB  ))
      2.400     0.800     0.800 peak   515 weight  0.10000E+01 volume  0.46108E+01 ppm1      7.720 ppm2      2.416
 ASSI {  516}
   (( segid PTB  and resid  147 and name HN  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      2.500     0.900     0.900 peak   516 weight  0.10000E+01 volume  0.31966E+01 ppm1      7.719 ppm2      0.919
 ASSI {  521}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  196 and name HA  ))
      2.600     0.900     0.900 peak   521 weight  0.10000E+01 volume  0.28005E+01 ppm1      7.466 ppm2      4.182
 ASSI {  522}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  195 and name HB1 ))
      3.000     1.000     1.000 peak   522 weight  0.10000E+01 volume  0.11384E+01 ppm1      7.463 ppm2      3.353
 ASSI {  523}
   (( segid PTB  and resid  196 and name HN  ))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      2.300     0.800     0.800 peak   523 weight  0.10000E+01 volume  0.63184E+01 ppm1      7.468 ppm2      1.572
 ASSI {  528}
   (( segid PTB  and resid  148 and name HN  ))
   (( segid PTB  and resid  164 and name HA  ))
      3.000     1.000     1.000 peak   528 weight  0.10000E+01 volume  0.12770E+01 ppm1      9.550 ppm2      5.943
 ASSI {  529}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   77 and name HN  ))
      2.700     0.900     0.900 peak   529 weight  0.10000E+01 volume  0.21602E+01 ppm1      8.586 ppm2      8.084
 ASSI {  530}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   76 and name HB  ))
      2.500     0.900     0.900 peak   530 weight  0.10000E+01 volume  0.39438E+01 ppm1      8.581 ppm2      2.109
 ASSI {  531}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
      3.200     1.100     1.100 peak   531 weight  0.10000E+01 volume  0.89830E+00 ppm1      8.582 ppm2      0.562
 ASSI {  538}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   69 and name HN  ))
      2.700     0.900     0.900 peak   538 weight  0.10000E+01 volume  0.25027E+01 ppm1      7.965 ppm2      8.565
 ASSI {  546}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  193 and name HB1 ))
      2.600     0.900     0.900 peak   546 weight  0.10000E+01 volume  0.31524E+01 ppm1      7.485 ppm2      3.058
 ASSI {  547}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  193 and name HB2 ))
      2.800     1.000     1.000 peak   547 weight  0.10000E+01 volume  0.17789E+01 ppm1      7.483 ppm2      2.573
 ASSI {  549}
   (( segid PTB  and resid  193 and name HN  ))
   (( segid PTB  and resid  192 and name HA1 ))
      3.000     1.000     1.000 peak   549 weight  0.10000E+01 volume  0.10951E+01 ppm1      7.483 ppm2      1.904
 ASSI {  552}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   76 and name HA  ))
      2.800     1.000     1.000 peak   552 weight  0.10000E+01 volume  0.16461E+01 ppm1      8.589 ppm2      3.702
 ASSI {  554}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.800     1.000     1.000 peak   554 weight  0.10000E+01 volume  0.18483E+01 ppm1      8.578 ppm2      1.340
 ASSI {  555}
   (( segid PTB  and resid   76 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.500     0.900     0.900 peak   555 weight  0.10000E+01 volume  0.32909E+01 ppm1      8.580 ppm2      0.988
 ASSI {  560}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  164 and name HA  ))
      2.700     0.900     0.900 peak   560 weight  0.10000E+01 volume  0.21384E+01 ppm1      8.248 ppm2      5.952
 ASSI {  562}
   (( segid PTB  and resid  200 and name HN  ))
   (( segid PTB  and resid  200 and name HB2 ))
      2.600     0.900     0.900 peak   562 weight  0.10000E+01 volume  0.29000E+01 ppm1      8.283 ppm2      2.329
 ASSI {  564}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  152 and name HA  ))
      2.500     0.900     0.900 peak   564 weight  0.10000E+01 volume  0.38293E+01 ppm1      8.226 ppm2      5.198
 ASSI {  565}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  153 and name HB1 ))
      2.700     0.900     0.900 peak   565 weight  0.10000E+01 volume  0.20583E+01 ppm1      8.225 ppm2      3.385
 OR {  565}
   (( segid PTB  and resid  153 and name HN  ))
   (( segid PTB  and resid  153 and name HB2 ))
 ASSI {  570}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   69 and name HA  ))
      2.800     1.000     1.000 peak   570 weight  0.10000E+01 volume  0.17440E+01 ppm1      7.976 ppm2      4.742
 ASSI {  572}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   70 and name HA  ))
      2.600     0.900     0.900 peak   572 weight  0.10000E+01 volume  0.30878E+01 ppm1      7.968 ppm2      4.166
 ASSI {  573}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   69 and name HB1 ))
      3.200     1.100     1.100 peak   573 weight  0.10000E+01 volume  0.82120E+00 ppm1      7.970 ppm2      3.002
 ASSI {  574}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   70 and name HG1 ))
      2.900     1.000     1.000 peak   574 weight  0.10000E+01 volume  0.15656E+01 ppm1      7.968 ppm2      2.390
 OR {  574}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   70 and name HG2 ))
 ASSI {  575}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   70 and name HB2 ))
      2.400     0.800     0.800 peak   575 weight  0.10000E+01 volume  0.48435E+01 ppm1      7.970 ppm2      2.151
 OR {  575}
   (( segid PTB  and resid   70 and name HN  ))
   (( segid PTB  and resid   70 and name HB1 ))
 ASSI {  580}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   84 and name HA  ))
      2.200     0.800     0.800 peak   580 weight  0.10000E+01 volume  0.85629E+01 ppm1      9.185 ppm2      4.950
 ASSI {  581}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.400     0.800     0.800 peak   581 weight  0.10000E+01 volume  0.41915E+01 ppm1      9.185 ppm2      0.933
 ASSI {  596}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  165 and name HA  ))
      3.200     1.100     1.100 peak   596 weight  0.10000E+01 volume  0.82160E+00 ppm1      8.250 ppm2      4.305
 ASSI {  597}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  164 and name HB1 ))
      2.900     1.000     1.000 peak   597 weight  0.10000E+01 volume  0.15439E+01 ppm1      8.245 ppm2      3.083
 OR {  597}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid  164 and name HB2 ))
 ASSI {  607}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid  120 and name HA  ))
      3.200     1.100     1.100 peak   607 weight  0.10000E+01 volume  0.82530E+00 ppm1      9.179 ppm2      5.200
 ASSI {  609}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HB2 ))
      2.900     1.000     1.000 peak   609 weight  0.10000E+01 volume  0.14713E+01 ppm1      9.144 ppm2      3.652
 ASSI {  610}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
      3.100     1.100     1.100 peak   610 weight  0.10000E+01 volume  0.95420E+00 ppm1      9.134 ppm2      6.914
 ASSI {  611}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HG12))
      2.800     1.000     1.000 peak   611 weight  0.10000E+01 volume  0.20144E+01 ppm1      9.133 ppm2      1.695
 OR {  611}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HG11))
 ASSI {  614}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  184 and name HN  ))
      2.700     0.900     0.900 peak   614 weight  0.10000E+01 volume  0.22615E+01 ppm1      8.665 ppm2      9.444
 ASSI {  617}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  183 and name HB1 ))
      2.800     1.000     1.000 peak   617 weight  0.10000E+01 volume  0.16918E+01 ppm1      8.665 ppm2      4.457
 ASSI {  618}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  184 and name HA1 ))
      3.100     1.100     1.100 peak   618 weight  0.10000E+01 volume  0.98960E+00 ppm1      8.665 ppm2      4.299
 ASSI {  619}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  185 and name HA  ))
      2.600     0.900     0.900 peak   619 weight  0.10000E+01 volume  0.25591E+01 ppm1      8.667 ppm2      3.909
 ASSI {  620}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  185 and name HG2 ))
      3.000     1.000     1.000 peak   620 weight  0.10000E+01 volume  0.11036E+01 ppm1      8.666 ppm2      2.529
 OR {  620}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  185 and name HG1 ))
 ASSI {  621}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  185 and name HB1 ))
      2.300     0.800     0.800 peak   621 weight  0.10000E+01 volume  0.58990E+01 ppm1      8.665 ppm2      2.247
 OR {  621}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  185 and name HB2 ))
 ASSI {  634}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  155 and name HA  ))
      3.100     1.100     1.100 peak   634 weight  0.10000E+01 volume  0.97190E+00 ppm1      7.694 ppm2      4.735
 ASSI {  635}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  156 and name HA  ))
      2.800     1.000     1.000 peak   635 weight  0.10000E+01 volume  0.17575E+01 ppm1      7.695 ppm2      4.572
 ASSI {  637}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  155 and name HN  ))
      2.400     0.800     0.800 peak   637 weight  0.10000E+01 volume  0.43412E+01 ppm1      7.687 ppm2      8.743
 ASSI {  639}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  156 and name HB1 ))
      3.200     1.100     1.100 peak   639 weight  0.10000E+01 volume  0.87730E+00 ppm1      7.692 ppm2      3.041
 ASSI {  640}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  160 and name HA  ))
      2.300     0.800     0.800 peak   640 weight  0.10000E+01 volume  0.54728E+01 ppm1      7.659 ppm2      5.139
 ASSI {  642}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  151 and name HN  ))
      3.000     1.000     1.000 peak   642 weight  0.10000E+01 volume  0.11100E+01 ppm1      7.648 ppm2      8.560
 ASSI {  648}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  198 and name HB2 ))
      2.400     0.800     0.800 peak   648 weight  0.10000E+01 volume  0.42905E+01 ppm1      8.289 ppm2      3.227
 OR {  648}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  198 and name HB1 ))
 ASSI {  649}
   (( segid PTB  and resid  198 and name HN  ))
   (( segid PTB  and resid  197 and name HB  ))
      2.600     0.900     0.900 peak   649 weight  0.10000E+01 volume  0.26716E+01 ppm1      8.285 ppm2      2.160
 ASSI {  651}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  196 and name HN  ))
      2.700     0.900     0.900 peak   651 weight  0.10000E+01 volume  0.23414E+01 ppm1      8.222 ppm2      7.474
 ASSI {  654}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      2.700     0.900     0.900 peak   654 weight  0.10000E+01 volume  0.22642E+01 ppm1      8.224 ppm2      1.576
 ASSI {  655}
   (( segid PTB  and resid  197 and name HN  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.400     0.800     0.800 peak   655 weight  0.10000E+01 volume  0.51438E+01 ppm1      8.225 ppm2      1.015
 ASSI {  658}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  205 and name HA  ))
      3.000     1.000     1.000 peak   658 weight  0.10000E+01 volume  0.12798E+01 ppm1      8.081 ppm2      4.376
 ASSI {  659}
   (( segid PTB  and resid  205 and name HN  ))
   (( segid PTB  and resid  204 and name HA  ))
      2.900     1.000     1.000 peak   659 weight  0.10000E+01 volume  0.13738E+01 ppm1      8.077 ppm2      4.253
 ASSI {  661}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   72 and name HN  ))
      2.600     0.900     0.900 peak   661 weight  0.10000E+01 volume  0.29889E+01 ppm1      7.910 ppm2      8.225
 ASSI {  663}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   70 and name HA  ))
      3.200     1.100     1.100 peak   663 weight  0.10000E+01 volume  0.83420E+00 ppm1      7.907 ppm2      4.167
 ASSI {  664}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   73 and name HA  ))
      2.700     0.900     0.900 peak   664 weight  0.10000E+01 volume  0.20920E+01 ppm1      7.909 ppm2      3.870
 ASSI {  665}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   73 and name HB2 ))
      2.300     0.800     0.800 peak   665 weight  0.10000E+01 volume  0.55803E+01 ppm1      7.911 ppm2      2.281
 OR {  665}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   73 and name HB1 ))
 ASSI {  666}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  161 and name HA  ))
      2.900     1.000     1.000 peak   666 weight  0.10000E+01 volume  0.16329E+01 ppm1      7.659 ppm2      5.361
 ASSI {  667}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   68 and name HA  ))
      2.800     1.000     1.000 peak   667 weight  0.10000E+01 volume  0.18274E+01 ppm1      8.573 ppm2      4.055
 ASSI {  669}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   69 and name HD1 ))
      3.000     1.000     1.000 peak   669 weight  0.10000E+01 volume  0.10956E+01 ppm1      8.562 ppm2      6.973
 ASSI {  670}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   69 and name HA  ))
      2.600     0.900     0.900 peak   670 weight  0.10000E+01 volume  0.30840E+01 ppm1      8.564 ppm2      4.740
 ASSI {  671}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   69 and name HB2 ))
      3.100     1.100     1.100 peak   671 weight  0.10000E+01 volume  0.95520E+00 ppm1      8.563 ppm2      3.222
 ASSI {  672}
   (( segid PTB  and resid   69 and name HN  ))
   (( segid PTB  and resid   69 and name HB1 ))
      2.700     0.900     0.900 peak   672 weight  0.10000E+01 volume  0.22121E+01 ppm1      8.567 ppm2      3.007
 ASSI {  674}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   72 and name HB1 ))
      3.000     1.000     1.000 peak   674 weight  0.10000E+01 volume  0.12172E+01 ppm1      7.918 ppm2      3.010
 ASSI {  675}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   74 and name HN  ))
      2.600     0.900     0.900 peak   675 weight  0.10000E+01 volume  0.29351E+01 ppm1      7.860 ppm2      7.766
 ASSI {  680}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  100 and name HN  ))
      2.700     0.900     0.900 peak   680 weight  0.10000E+01 volume  0.24696E+01 ppm1      6.865 ppm2      8.847
 ASSI {  681}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  102 and name HN  ))
      2.500     0.900     0.900 peak   681 weight  0.10000E+01 volume  0.33286E+01 ppm1      6.865 ppm2      7.133
 ASSI {  683}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  101 and name HB  ))
      2.300     0.800     0.800 peak   683 weight  0.10000E+01 volume  0.52651E+01 ppm1      6.865 ppm2      1.961
 ASSI {  684}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      2.300     0.800     0.800 peak   684 weight  0.10000E+01 volume  0.62603E+01 ppm1      6.862 ppm2      0.857
 ASSI {  688}
   (( segid PTB  and resid   67 and name HN  ))
   (( segid PTB  and resid   70 and name HN  ))
      3.000     1.000     1.000 peak   688 weight  0.10000E+01 volume  0.11228E+01 ppm1      8.349 ppm2      7.951
 ASSI {  689}
   (( segid PTB  and resid   67 and name HN  ))
   (( segid PTB  and resid   67 and name HB2 ))
      3.000     1.000     1.000 peak   689 weight  0.10000E+01 volume  0.12920E+01 ppm1      8.334 ppm2      3.048
 OR {  689}
   (( segid PTB  and resid   67 and name HN  ))
   (( segid PTB  and resid   67 and name HB1 ))
 ASSI {  690}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  181 and name HN  ))
      2.900     1.000     1.000 peak   690 weight  0.10000E+01 volume  0.16354E+01 ppm1      8.255 ppm2      9.387
 ASSI {  692}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
      2.600     0.900     0.900 peak   692 weight  0.10000E+01 volume  0.27323E+01 ppm1      8.258 ppm2      5.450
 ASSI {  693}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  179 and name HA  ))
      2.400     0.800     0.800 peak   693 weight  0.10000E+01 volume  0.48302E+01 ppm1      8.257 ppm2      4.595
 ASSI {  694}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  180 and name HA  ))
      2.800     1.000     1.000 peak   694 weight  0.10000E+01 volume  0.18863E+01 ppm1      8.257 ppm2      4.254
 ASSI {  695}
   (( segid PTB  and resid  180 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.000     1.000     1.000 peak   695 weight  0.10000E+01 volume  0.13270E+01 ppm1      8.261 ppm2      1.606
 ASSI {  698}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  100 and name HA  ))
      3.000     1.000     1.000 peak   698 weight  0.10000E+01 volume  0.11119E+01 ppm1      6.863 ppm2      4.166
 ASSI {  699}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  101 and name HA  ))
      2.500     0.900     0.900 peak   699 weight  0.10000E+01 volume  0.33348E+01 ppm1      6.863 ppm2      3.611
 ASSI {  703}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  173 and name HG2 ))
      2.700     0.900     0.900 peak   703 weight  0.10000E+01 volume  0.21081E+01 ppm1      9.174 ppm2      2.156
 OR {  703}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  173 and name HG1 ))
 ASSI {  704}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  164 and name HN  ))
      2.900     1.000     1.000 peak   704 weight  0.10000E+01 volume  0.14239E+01 ppm1      9.167 ppm2      9.720
 ASSI {  706}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  150 and name HA  ))
      2.500     0.900     0.900 peak   706 weight  0.10000E+01 volume  0.36945E+01 ppm1      8.571 ppm2      5.407
 ASSI {  710}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  102 and name HB2 ))
      2.900     1.000     1.000 peak   710 weight  0.10000E+01 volume  0.15397E+01 ppm1      8.460 ppm2      3.010
 ASSI {  712}
   (( segid PTB  and resid   67 and name HN  ))
   (( segid PTB  and resid   66 and name HA  ))
      2.800     1.000     1.000 peak   712 weight  0.10000E+01 volume  0.18747E+01 ppm1      8.359 ppm2      4.213
 ASSI {  714}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   69 and name HA  ))
      2.800     1.000     1.000 peak   714 weight  0.10000E+01 volume  0.17327E+01 ppm1      8.254 ppm2      4.733
 ASSI {  719}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HB2 ))
      2.600     0.900     0.900 peak   719 weight  0.10000E+01 volume  0.26233E+01 ppm1      7.967 ppm2      1.898
 OR {  719}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  204 and name HB1 ))
 ASSI {  726}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   84 and name HB2 ))
      2.400     0.800     0.800 peak   726 weight  0.10000E+01 volume  0.49953E+01 ppm1      9.380 ppm2      3.973
 OR {  726}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   84 and name HB1 ))
 ASSI {  727}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   83 and name HB1 ))
      3.100     1.100     1.100 peak   727 weight  0.10000E+01 volume  0.10209E+01 ppm1      9.385 ppm2      2.896
 ASSI {  731}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HA  ))
      3.100     1.100     1.100 peak   731 weight  0.10000E+01 volume  0.10501E+01 ppm1      8.912 ppm2      4.950
 ASSI {  733}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HB2 ))
      2.800     1.000     1.000 peak   733 weight  0.10000E+01 volume  0.18761E+01 ppm1      8.908 ppm2      1.569
 OR {  733}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HG  ))
 ASSI {  734}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HB1 ))
      2.700     0.900     0.900 peak   734 weight  0.10000E+01 volume  0.21391E+01 ppm1      8.912 ppm2      1.378
 ASSI {  735}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  177 and name HA  ))
      2.400     0.800     0.800 peak   735 weight  0.10000E+01 volume  0.52151E+01 ppm1      8.905 ppm2      5.440
 ASSI {  737}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  151 and name HA  ))
      3.000     1.000     1.000 peak   737 weight  0.10000E+01 volume  0.10913E+01 ppm1      8.580 ppm2      4.936
 ASSI {  738}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  150 and name HB1 ))
      3.100     1.100     1.100 peak   738 weight  0.10000E+01 volume  0.94430E+00 ppm1      8.580 ppm2      2.711
 ASSI {  739}
   (( segid PTB  and resid  151 and name HN  ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.800     1.000     1.000 peak   739 weight  0.10000E+01 volume  0.18882E+01 ppm1      8.574 ppm2      1.551
 ASSI {  743}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  103 and name HA  ))
      2.700     0.900     0.900 peak   743 weight  0.10000E+01 volume  0.21999E+01 ppm1      8.460 ppm2      3.870
 ASSI {  744}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  103 and name HG2 ))
      2.600     0.900     0.900 peak   744 weight  0.10000E+01 volume  0.25951E+01 ppm1      8.461 ppm2      2.541
 OR {  744}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  103 and name HG1 ))
 ASSI {  746}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  103 and name HB2 ))
      2.900     1.000     1.000 peak   746 weight  0.10000E+01 volume  0.15894E+01 ppm1      8.458 ppm2      1.948
 OR {  746}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  103 and name HB1 ))
 ASSI {  748}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   71 and name HN  ))
      2.800     1.000     1.000 peak   748 weight  0.10000E+01 volume  0.20160E+01 ppm1      8.226 ppm2      8.370
 ASSI {  750}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   72 and name HA  ))
      2.700     0.900     0.900 peak   750 weight  0.10000E+01 volume  0.22779E+01 ppm1      8.225 ppm2      4.481
 ASSI {  752}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   72 and name HB1 ))
      2.700     0.900     0.900 peak   752 weight  0.10000E+01 volume  0.22922E+01 ppm1      8.227 ppm2      3.002
 ASSI {  754}
   (( segid PTB  and resid   72 and name HN  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      2.700     0.900     0.900 peak   754 weight  0.10000E+01 volume  0.21458E+01 ppm1      8.230 ppm2      1.498
 ASSI {  755}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  103 and name HN  ))
      2.700     0.900     0.900 peak   755 weight  0.10000E+01 volume  0.22650E+01 ppm1      8.178 ppm2      8.462
 ASSI {  758}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  104 and name HA  ))
      2.600     0.900     0.900 peak   758 weight  0.10000E+01 volume  0.31924E+01 ppm1      8.180 ppm2      4.045
 ASSI {  759}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  104 and name HG1 ))
      2.500     0.900     0.900 peak   759 weight  0.10000E+01 volume  0.33699E+01 ppm1      8.178 ppm2      2.421
 ASSI {  760}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  104 and name HB2 ))
      2.200     0.800     0.800 peak   760 weight  0.10000E+01 volume  0.69775E+01 ppm1      8.178 ppm2      2.106
 OR {  760}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  104 and name HB1 ))
 ASSI {  762}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  192 and name HN  ))
      2.700     0.900     0.900 peak   762 weight  0.10000E+01 volume  0.23399E+01 ppm1      7.745 ppm2      8.344
 ASSI {  764}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  190 and name HN  ))
      2.900     1.000     1.000 peak   764 weight  0.10000E+01 volume  0.13819E+01 ppm1      7.745 ppm2      7.359
 ASSI {  765}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  191 and name HB  ))
      2.500     0.900     0.900 peak   765 weight  0.10000E+01 volume  0.37133E+01 ppm1      7.742 ppm2      2.129
 ASSI {  766}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.700     0.900     0.900 peak   766 weight  0.10000E+01 volume  0.21478E+01 ppm1      7.745 ppm2      1.453
 ASSI {  769}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
      2.900     1.000     1.000 peak   769 weight  0.10000E+01 volume  0.14169E+01 ppm1      7.734 ppm2      2.993
 ASSI {  772}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  198 and name HB2 ))
      3.100     1.100     1.100 peak   772 weight  0.10000E+01 volume  0.10789E+01 ppm1      8.220 ppm2      3.195
 OR {  772}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  198 and name HB1 ))
 ASSI {  774}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  202 and name HB1 ))
      2.300     2.300     2.200 peak   774 weight  0.10000E+01 volume  0.62143E+01 ppm1      7.925 ppm2      1.994
 OR {  774}
   (( segid PTB  and resid  204 and name HN  ))
   (( segid PTB  and resid  202 and name HB2 ))
 ASSI {  780}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  108 and name HA  ))
      2.500     0.900     0.900 peak   780 weight  0.10000E+01 volume  0.33471E+01 ppm1      7.438 ppm2      3.650
 ASSI {  781}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HB1 ))
      2.500     0.900     0.900 peak   781 weight  0.10000E+01 volume  0.31964E+01 ppm1      7.443 ppm2      1.937
 OR {  781}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  107 and name HB2 ))
 ASSI {  782}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.300     0.800     0.800 peak   782 weight  0.10000E+01 volume  0.58276E+01 ppm1      7.439 ppm2      1.079
 ASSI {  784}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HB1 ))
      3.200     1.100     1.100 peak   784 weight  0.10000E+01 volume  0.87620E+00 ppm1      9.177 ppm2      1.459
 ASSI {  785}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  179 and name HA  ))
      3.100     1.100     1.100 peak   785 weight  0.10000E+01 volume  0.92080E+00 ppm1      9.163 ppm2      4.594
 ASSI {  786}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  199 and name HB1 ))
      3.100     1.100     1.100 peak   786 weight  0.10000E+01 volume  0.99990E+00 ppm1      8.196 ppm2      1.635
 OR {  786}
   (( segid PTB  and resid  199 and name HN  ))
   (( segid PTB  and resid  199 and name HB2 ))
 ASSI {  788}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HA  ))
      2.700     0.900     0.900 peak   788 weight  0.10000E+01 volume  0.21016E+01 ppm1      8.084 ppm2      3.875
 ASSI {  789}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HB2 ))
      2.400     0.800     0.800 peak   789 weight  0.10000E+01 volume  0.41892E+01 ppm1      8.081 ppm2      1.885
 ASSI {  790}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   77 and name HB1 ))
      2.800     1.000     1.000 peak   790 weight  0.10000E+01 volume  0.19781E+01 ppm1      8.081 ppm2      1.750
 ASSI {  793}
   (( segid PTB  and resid  108 and name HN  ))
   (( segid PTB  and resid  108 and name HB  ))
      2.300     0.800     0.800 peak   793 weight  0.10000E+01 volume  0.64193E+01 ppm1      7.439 ppm2      2.274
 ASSI {  796}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   85 and name HA  ))
      2.400     0.800     0.800 peak   796 weight  0.10000E+01 volume  0.44918E+01 ppm1      9.170 ppm2      5.450
 ASSI {  798}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HB2 ))
      2.900     1.000     1.000 peak   798 weight  0.10000E+01 volume  0.14948E+01 ppm1      9.169 ppm2      1.858
 ASSI {  802}
   (( segid PTB  and resid  201 and name HN  ))
   (( segid PTB  and resid  200 and name HN  ))
      2.900     1.000     1.000 peak   802 weight  0.10000E+01 volume  0.14352E+01 ppm1      8.081 ppm2      8.299
 ASSI {  808}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HN  ))
      2.300     0.800     0.800 peak   808 weight  0.10000E+01 volume  0.57103E+01 ppm1      7.271 ppm2      8.820
 ASSI {  810}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  140 and name HA  ))
      2.800     1.000     1.000 peak   810 weight  0.10000E+01 volume  0.17152E+01 ppm1      7.273 ppm2      4.081
 ASSI {  811}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HB  ))
      2.400     0.800     0.800 peak   811 weight  0.10000E+01 volume  0.43531E+01 ppm1      7.273 ppm2      1.732
 ASSI {  813}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HG11))
      3.100     1.100     1.100 peak   813 weight  0.10000E+01 volume  0.91770E+00 ppm1      7.266 ppm2      1.318
 OR {  813}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HG12))
 ASSI {  814}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HA  ))
      2.900     1.000     1.000 peak   814 weight  0.10000E+01 volume  0.15238E+01 ppm1      9.855 ppm2      4.734
 ASSI {  815}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HA  ))
      2.700     0.900     0.900 peak   815 weight  0.10000E+01 volume  0.21924E+01 ppm1      8.521 ppm2      3.801
 ASSI {  819}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  106 and name HN  ))
      2.500     0.900     0.900 peak   819 weight  0.10000E+01 volume  0.38540E+01 ppm1      7.553 ppm2      8.523
 ASSI {  822}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HA  ))
      2.500     0.900     0.900 peak   822 weight  0.10000E+01 volume  0.39812E+01 ppm1      7.554 ppm2      3.851
 ASSI {  823}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HB1 ))
      2.100     0.700     0.700 peak   823 weight  0.10000E+01 volume  0.93255E+01 ppm1      7.553 ppm2      1.940
 OR {  823}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  107 and name HB2 ))
 ASSI {  824}
   (( segid PTB  and resid  107 and name HN  ))
   (( segid PTB  and resid  106 and name HB1 ))
      2.900     1.000     1.000 peak   824 weight  0.10000E+01 volume  0.13974E+01 ppm1      7.549 ppm2      1.758
 ASSI {  828}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  140 and name HB  ))
      2.700     0.900     0.900 peak   828 weight  0.10000E+01 volume  0.20698E+01 ppm1      7.272 ppm2      1.547
 ASSI {  829}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  139 and name HA  ))
      3.100     1.100     1.100 peak   829 weight  0.10000E+01 volume  0.94110E+00 ppm1      7.268 ppm2      4.265
 ASSI {  830}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.800     1.000     1.000 peak   830 weight  0.10000E+01 volume  0.18973E+01 ppm1      7.265 ppm2      0.604
 ASSI {  831}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  182 and name HB2 ))
      3.200     1.100     1.100 peak   831 weight  0.10000E+01 volume  0.86500E+00 ppm1      7.056 ppm2      2.433
 ASSI {  833}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HB1 ))
      3.000     1.000     1.000 peak   833 weight  0.10000E+01 volume  0.13089E+01 ppm1      9.859 ppm2      1.817
 OR {  833}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HG2 ))
 OR {  833}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HG1 ))
 OR {  833}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  158 and name HB2 ))
 ASSI {  840}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HB1 ))
      2.400     0.800     0.800 peak   840 weight  0.10000E+01 volume  0.47962E+01 ppm1      8.522 ppm2      1.766
 ASSI {  841}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HB2 ))
      2.600     0.900     0.900 peak   841 weight  0.10000E+01 volume  0.31686E+01 ppm1      8.525 ppm2      1.545
 ASSI {  843}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      2.900     1.000     1.000 peak   843 weight  0.10000E+01 volume  0.13844E+01 ppm1      8.521 ppm2      0.852
 OR {  843}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 ASSI {  844}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  203 and name HG1 ))
      3.200     1.100     1.100 peak   844 weight  0.10000E+01 volume  0.82720E+00 ppm1      8.065 ppm2      2.514
 OR {  844}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  203 and name HG2 ))
 ASSI {  845}
   (( segid PTB  and resid  203 and name HN  ))
   (( segid PTB  and resid  203 and name HB1 ))
      2.600     0.900     0.900 peak   845 weight  0.10000E+01 volume  0.31506E+01 ppm1      8.061 ppm2      2.190
 ASSI {  853}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  103 and name HN  ))
      2.600     0.900     0.900 peak   853 weight  0.10000E+01 volume  0.28105E+01 ppm1      7.127 ppm2      8.461
 ASSI {  857}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  102 and name HA  ))
      2.600     0.900     0.900 peak   857 weight  0.10000E+01 volume  0.27767E+01 ppm1      7.126 ppm2      4.178
 ASSI {  858}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  102 and name HB1 ))
      3.000     1.000     1.000 peak   858 weight  0.10000E+01 volume  0.11524E+01 ppm1      7.125 ppm2      3.175
 ASSI {  859}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  102 and name HB2 ))
      2.700     0.900     0.900 peak   859 weight  0.10000E+01 volume  0.25202E+01 ppm1      7.126 ppm2      2.999
 ASSI {  861}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  101 and name HB  ))
      2.500     0.900     0.900 peak   861 weight  0.10000E+01 volume  0.36552E+01 ppm1      7.125 ppm2      1.956
 ASSI {  862}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.800     1.000     1.000 peak   862 weight  0.10000E+01 volume  0.17162E+01 ppm1      7.127 ppm2      0.829
 OR {  862}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
 ASSI {  863}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HN  ))
      2.300     0.800     0.800 peak   863 weight  0.10000E+01 volume  0.64544E+01 ppm1      7.058 ppm2      9.387
 ASSI {  865}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  182 and name HA  ))
      2.700     0.900     0.900 peak   865 weight  0.10000E+01 volume  0.22533E+01 ppm1      7.059 ppm2      5.032
 ASSI {  868}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  182 and name HB1 ))
      2.700     0.900     0.900 peak   868 weight  0.10000E+01 volume  0.24352E+01 ppm1      7.057 ppm2      2.085
 ASSI {  869}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  181 and name HB1 ))
      3.100     1.100     1.100 peak   869 weight  0.10000E+01 volume  0.90210E+00 ppm1      7.055 ppm2      1.838
 ASSI {  870}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.500     0.900     0.900 peak   870 weight  0.10000E+01 volume  0.34421E+01 ppm1      7.057 ppm2      1.598
 ASSI {  876}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  100 and name HG1 ))
      2.900     1.000     1.000 peak   876 weight  0.10000E+01 volume  0.13767E+01 ppm1      8.820 ppm2      2.412
 OR {  876}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  100 and name HB2 ))
 OR {  876}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  100 and name HG2 ))
 ASSI {  879}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  135 and name HN  ))
      2.300     0.800     0.800 peak   879 weight  0.10000E+01 volume  0.57787E+01 ppm1      8.815 ppm2      8.092
 ASSI {  880}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  134 and name HA  ))
      2.500     0.900     0.900 peak   880 weight  0.10000E+01 volume  0.35769E+01 ppm1      8.814 ppm2      4.232
 ASSI {  882}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  134 and name HB1 ))
      2.100     0.700     0.700 peak   882 weight  0.10000E+01 volume  0.10404E+02 ppm1      8.813 ppm2      2.246
 OR {  882}
   (( segid PTB  and resid  134 and name HN  ))
   (( segid PTB  and resid  134 and name HB2 ))
 ASSI {  886}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  111 and name HN  ))
      2.600     0.900     0.900 peak   886 weight  0.10000E+01 volume  0.31183E+01 ppm1      8.457 ppm2      7.519
 ASSI {  887}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HA  ))
      2.600     0.900     0.900 peak   887 weight  0.10000E+01 volume  0.29561E+01 ppm1      8.461 ppm2      3.999
 ASSI {  889}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HB2 ))
      2.300     0.800     0.800 peak   889 weight  0.10000E+01 volume  0.60981E+01 ppm1      8.459 ppm2      1.849
 OR {  889}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HB1 ))
 ASSI {  890}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  109 and name HB1 ))
      3.200     1.100     1.100 peak   890 weight  0.10000E+01 volume  0.84420E+00 ppm1      8.466 ppm2      1.054
 OR {  890}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  109 and name HB2 ))
 ASSI {  894}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  173 and name HA  ))
      3.200     1.100     1.100 peak   894 weight  0.10000E+01 volume  0.82620E+00 ppm1      8.274 ppm2      5.273
 ASSI {  895}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   92 and name HA  ))
      2.400     0.800     0.800 peak   895 weight  0.10000E+01 volume  0.44873E+01 ppm1      8.271 ppm2      5.026
 ASSI {  897}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   92 and name HB2 ))
      2.900     1.000     1.000 peak   897 weight  0.10000E+01 volume  0.15163E+01 ppm1      8.265 ppm2      1.666
 OR {  897}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   92 and name HB1 ))
 ASSI {  906}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  176 and name HA1 ))
      2.600     0.900     0.900 peak   906 weight  0.10000E+01 volume  0.30752E+01 ppm1      9.160 ppm2      4.909
 ASSI {  908}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      3.000     1.000     1.000 peak   908 weight  0.10000E+01 volume  0.12894E+01 ppm1      9.167 ppm2      0.847
 OR {  908}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 ASSI {  912}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  128 and name HA  ))
      2.800     1.000     1.000 peak   912 weight  0.10000E+01 volume  0.16948E+01 ppm1      8.549 ppm2      5.311
 ASSI {  913}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  127 and name HA2 ))
      2.500     0.900     0.900 peak   913 weight  0.10000E+01 volume  0.33647E+01 ppm1      8.549 ppm2      4.460
 ASSI {  914}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  127 and name HA1 ))
      2.600     0.900     0.900 peak   914 weight  0.10000E+01 volume  0.31808E+01 ppm1      8.550 ppm2      4.003
 ASSI {  917}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HG1 ))
      3.100     1.100     1.100 peak   917 weight  0.10000E+01 volume  0.10155E+01 ppm1      8.458 ppm2      1.426
 OR {  917}
   (( segid PTB  and resid  110 and name HN  ))
   (( segid PTB  and resid  110 and name HG2 ))
 ASSI {  919}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   93 and name HA  ))
      2.400     0.800     0.800 peak   919 weight  0.10000E+01 volume  0.41667E+01 ppm1      8.255 ppm2      4.440
 ASSI {  923}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   74 and name HA  ))
      2.600     0.900     0.900 peak   923 weight  0.10000E+01 volume  0.28736E+01 ppm1      7.729 ppm2      3.989
 ASSI {  925}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   74 and name HB2 ))
      2.400     0.800     0.800 peak   925 weight  0.10000E+01 volume  0.50514E+01 ppm1      7.730 ppm2      2.093
 OR {  925}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   74 and name HB1 ))
 ASSI {  928}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HN  ))
      2.800     1.000     1.000 peak   928 weight  0.10000E+01 volume  0.19493E+01 ppm1      7.350 ppm2      7.924
 ASSI {  934}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HB1 ))
      3.200     3.200     1.300 peak   934 weight  0.10000E+01 volume  0.83890E+00 ppm1      7.351 ppm2      1.883
 OR {  934}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  170 and name HB2 ))
 ASSI {  936}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HG1 ))
      2.500     0.900     0.900 peak   936 weight  0.10000E+01 volume  0.36006E+01 ppm1      7.352 ppm2      1.468
 OR {  936}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  171 and name HG2 ))
 ASSI {  938}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      2.800     1.000     1.000 peak   938 weight  0.10000E+01 volume  0.17237E+01 ppm1      9.149 ppm2      7.325
 ASSI {  943}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   94 and name HN  ))
      2.400     0.800     0.800 peak   943 weight  0.10000E+01 volume  0.45509E+01 ppm1      7.185 ppm2      8.719
 ASSI {  945}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   94 and name HA  ))
      3.000     1.000     1.000 peak   945 weight  0.10000E+01 volume  0.12192E+01 ppm1      7.186 ppm2      4.872
 ASSI {  946}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   95 and name HA  ))
      2.600     0.900     0.900 peak   946 weight  0.10000E+01 volume  0.28405E+01 ppm1      7.187 ppm2      4.296
 ASSI {  947}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   93 and name HB  ))
      2.500     0.900     0.900 peak   947 weight  0.10000E+01 volume  0.35827E+01 ppm1      7.183 ppm2      2.211
 ASSI {  948}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   95 and name HB1 ))
      2.600     0.900     0.900 peak   948 weight  0.10000E+01 volume  0.27263E+01 ppm1      7.186 ppm2      1.638
 ASSI {  950}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.700     0.900     0.900 peak   950 weight  0.10000E+01 volume  0.21233E+01 ppm1      7.184 ppm2      0.679
 ASSI {  954}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   90 and name HA  ))
      2.300     0.800     0.800 peak   954 weight  0.10000E+01 volume  0.67008E+01 ppm1      8.354 ppm2      5.762
 ASSI {  955}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HA  ))
      2.700     0.900     0.900 peak   955 weight  0.10000E+01 volume  0.21767E+01 ppm1      8.354 ppm2      4.390
 ASSI {  957}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.800     1.000     1.000 peak   957 weight  0.10000E+01 volume  0.18593E+01 ppm1      8.355 ppm2      0.787
 ASSI {  958}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   90 and name HB1 ))
      2.600     0.900     0.900 peak   958 weight  0.10000E+01 volume  0.26608E+01 ppm1      8.351 ppm2      1.596
 ASSI {  961}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   95 and name HB2 ))
      3.100     1.100     1.100 peak   961 weight  0.10000E+01 volume  0.90340E+00 ppm1      7.185 ppm2      2.025
 ASSI {  966}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  169 and name HN  ))
      2.700     0.900     0.900 peak   966 weight  0.10000E+01 volume  0.23220E+01 ppm1      7.931 ppm2      7.579
 ASSI {  968}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  169 and name HA  ))
      2.700     0.900     0.900 peak   968 weight  0.10000E+01 volume  0.24838E+01 ppm1      7.932 ppm2      4.395
 ASSI {  969}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HA  ))
      2.300     0.800     0.800 peak   969 weight  0.10000E+01 volume  0.64986E+01 ppm1      7.931 ppm2      3.693
 ASSI {  970}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HG1 ))
      2.700     0.900     0.900 peak   970 weight  0.10000E+01 volume  0.20504E+01 ppm1      7.930 ppm2      1.478
 OR {  970}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  170 and name HG2 ))
 ASSI {  972}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  169 and name HB  ))
      2.800     1.000     1.000 peak   972 weight  0.10000E+01 volume  0.18391E+01 ppm1      7.927 ppm2      4.261
 ASSI {  976}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.700     0.900     0.900 peak   976 weight  0.10000E+01 volume  0.23183E+01 ppm1      8.603 ppm2      1.169
 ASSI {  977}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  145 and name HB1 ))
      2.800     1.000     1.000 peak   977 weight  0.10000E+01 volume  0.18579E+01 ppm1      8.596 ppm2      2.100
 ASSI {  978}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  145 and name HB2 ))
      2.700     0.900     0.900 peak   978 weight  0.10000E+01 volume  0.24877E+01 ppm1      8.593 ppm2      2.018
 ASSI {  979}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.900     1.000     1.000 peak   979 weight  0.10000E+01 volume  0.14015E+01 ppm1      8.594 ppm2      1.361
 ASSI {  984}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  111 and name HG2 ))
      3.100     1.100     1.100 peak   984 weight  0.10000E+01 volume  0.95370E+00 ppm1      7.509 ppm2      2.411
 ASSI {  985}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  181 and name HB1 ))
      3.100     1.100     1.100 peak   985 weight  0.10000E+01 volume  0.10469E+01 ppm1      9.391 ppm2      1.850
 ASSI {  989}
   (( segid PTB  and resid  181 and name HN  ))
   (( segid PTB  and resid  181 and name HA  ))
      3.100     1.100     1.100 peak   989 weight  0.10000E+01 volume  0.10523E+01 ppm1      9.382 ppm2      4.587
 ASSI {  993}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  146 and name HN  ))
      2.800     1.000     1.000 peak   993 weight  0.10000E+01 volume  0.16545E+01 ppm1      8.594 ppm2      6.641
 ASSI {  995}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  145 and name HG1 ))
      2.900     1.000     1.000 peak   995 weight  0.10000E+01 volume  0.15281E+01 ppm1      8.592 ppm2      2.293
 OR {  995}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  145 and name HG2 ))
 ASSI {  998}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  134 and name HN  ))
      3.100     1.100     1.100 peak   998 weight  0.10000E+01 volume  0.90320E+00 ppm1      8.066 ppm2      8.813
 ASSI {  999}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  137 and name HN  ))
      2.600     0.900     0.900 peak   999 weight  0.10000E+01 volume  0.26217E+01 ppm1      8.072 ppm2      8.384
 ASSI { 1001}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  135 and name HA  ))
      3.100     1.100     1.100 peak  1001 weight  0.10000E+01 volume  0.10510E+01 ppm1      8.066 ppm2      4.378
 OR { 1001}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  135 and name HB  ))
 ASSI { 1002}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  136 and name HA  ))
      2.100     0.700     0.700 peak  1002 weight  0.10000E+01 volume  0.93303E+01 ppm1      8.070 ppm2      4.102
 ASSI { 1007}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  111 and name HA  ))
      2.400     0.800     0.800 peak  1007 weight  0.10000E+01 volume  0.42669E+01 ppm1      7.518 ppm2      4.377
 ASSI { 1008}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  110 and name HA  ))
      2.900     1.000     1.000 peak  1008 weight  0.10000E+01 volume  0.13467E+01 ppm1      7.519 ppm2      3.996
 ASSI { 1009}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  111 and name HB1 ))
      2.800     1.000     1.000 peak  1009 weight  0.10000E+01 volume  0.17378E+01 ppm1      7.518 ppm2      2.247
 ASSI { 1011}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  110 and name HB1 ))
      3.000     1.000     1.000 peak  1011 weight  0.10000E+01 volume  0.13232E+01 ppm1      7.519 ppm2      1.870
 OR { 1011}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  110 and name HB2 ))
 ASSI { 1013}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  108 and name HA  ))
      3.100     1.100     1.100 peak  1013 weight  0.10000E+01 volume  0.10284E+01 ppm1      7.511 ppm2      3.645
 ASSI { 1014}
   (( segid PTB  and resid  111 and name HN  ))
   (( segid PTB  and resid  111 and name HG1 ))
      2.800     1.000     1.000 peak  1014 weight  0.10000E+01 volume  0.19278E+01 ppm1      7.517 ppm2      2.577
 ASSI { 1018}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   82 and name HA  ))
      2.300     0.800     0.800 peak  1018 weight  0.10000E+01 volume  0.59581E+01 ppm1      8.571 ppm2      5.422
 ASSI { 1020}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   82 and name HB1 ))
      3.000     1.000     1.000 peak  1020 weight  0.10000E+01 volume  0.11783E+01 ppm1      8.566 ppm2      3.013
 ASSI { 1026}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
      2.800     1.000     1.000 peak  1026 weight  0.10000E+01 volume  0.20018E+01 ppm1      8.250 ppm2      7.029
 ASSI { 1027}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  195 and name HA  ))
      2.800     1.000     1.000 peak  1027 weight  0.10000E+01 volume  0.17468E+01 ppm1      8.254 ppm2      4.303
 ASSI { 1029}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  195 and name HB1 ))
      3.200     1.100     1.100 peak  1029 weight  0.10000E+01 volume  0.89500E+00 ppm1      8.262 ppm2      3.351
 ASSI { 1030}
   (( segid PTB  and resid  195 and name HN  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.700     0.900     0.900 peak  1030 weight  0.10000E+01 volume  0.25171E+01 ppm1      8.257 ppm2      1.251
 ASSI { 1034}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   82 and name HB2 ))
      3.100     1.100     1.100 peak  1034 weight  0.10000E+01 volume  0.10451E+01 ppm1      8.585 ppm2      3.397
 ASSI { 1035}
   (( segid PTB  and resid   83 and name HN  ))
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
      3.100     1.100     1.100 peak  1035 weight  0.10000E+01 volume  0.95680E+00 ppm1      8.572 ppm2      6.961
 ASSI { 1043}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   94 and name HB1 ))
      3.000     1.000     1.000 peak  1043 weight  0.10000E+01 volume  0.11944E+01 ppm1      8.722 ppm2      2.739
 ASSI { 1045}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   94 and name HD1 )
     OR 
    ( segid PTB  and resid   94 and name HD2 ))
      3.100     1.100     1.100 peak  1045 weight  0.10000E+01 volume  0.97800E+00 ppm1      8.710 ppm2      7.319
 ASSI { 1047}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   94 and name HA  ))
      3.100     1.100     1.100 peak  1047 weight  0.10000E+01 volume  0.94520E+00 ppm1      8.712 ppm2      4.869
 ASSI { 1048}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   93 and name HA  ))
      2.600     0.900     0.900 peak  1048 weight  0.10000E+01 volume  0.30656E+01 ppm1      8.711 ppm2      4.414
 ASSI { 1049}
   (( segid PTB  and resid   94 and name HN  ))
   (( segid PTB  and resid   93 and name HB  ))
      2.600     0.900     0.900 peak  1049 weight  0.10000E+01 volume  0.29028E+01 ppm1      8.712 ppm2      2.212
 ASSI { 1057}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  189 and name HB1 ))
      2.700     0.900     0.900 peak  1057 weight  0.10000E+01 volume  0.22772E+01 ppm1      8.075 ppm2      3.291
 ASSI { 1058}
   (( segid PTB  and resid  189 and name HN  ))
   (( segid PTB  and resid  189 and name HB2 ))
      2.700     0.900     0.900 peak  1058 weight  0.10000E+01 volume  0.20642E+01 ppm1      8.074 ppm2      2.648
 ASSI { 1070}
   (( segid PTB  and resid  206 and name HN  ))
   (( segid PTB  and resid  206 and name HA  ))
      2.700     0.900     0.900 peak  1070 weight  0.10000E+01 volume  0.21239E+01 ppm1      8.059 ppm2      4.317
 ASSI { 1072}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  155 and name HA  ))
      2.700     0.900     0.900 peak  1072 weight  0.10000E+01 volume  0.23583E+01 ppm1      8.747 ppm2      4.735
 ASSI { 1073}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  155 and name HB2 ))
      2.900     1.000     1.000 peak  1073 weight  0.10000E+01 volume  0.15363E+01 ppm1      8.746 ppm2      2.670
 ASSI { 1074}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  154 and name HN  ))
      2.700     0.900     0.900 peak  1074 weight  0.10000E+01 volume  0.22427E+01 ppm1      8.746 ppm2      8.914
 ASSI { 1077}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  155 and name HB1 ))
      2.600     0.900     0.900 peak  1077 weight  0.10000E+01 volume  0.30987E+01 ppm1      8.744 ppm2      2.829
 ASSI { 1083}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  111 and name HN  ))
      2.300     0.800     0.800 peak  1083 weight  0.10000E+01 volume  0.59916E+01 ppm1      7.314 ppm2      7.524
 ASSI { 1089}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  125 and name HN  ))
      2.700     0.900     0.900 peak  1089 weight  0.10000E+01 volume  0.24320E+01 ppm1      7.919 ppm2      9.136
 ASSI { 1091}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  127 and name HN  ))
      2.300     0.800     0.800 peak  1091 weight  0.10000E+01 volume  0.57243E+01 ppm1      7.917 ppm2      7.544
 ASSI { 1092}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  126 and name HA  ))
      2.500     0.900     0.900 peak  1092 weight  0.10000E+01 volume  0.33515E+01 ppm1      7.919 ppm2      4.806
 ASSI { 1095}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  125 and name HA1 ))
      2.900     1.000     1.000 peak  1095 weight  0.10000E+01 volume  0.14176E+01 ppm1      7.922 ppm2      3.604
 ASSI { 1096}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  126 and name HB2 ))
      3.000     1.000     1.000 peak  1096 weight  0.10000E+01 volume  0.11771E+01 ppm1      7.916 ppm2      2.712
 ASSI { 1097}
   (( segid PTB  and resid  126 and name HN  ))
   (( segid PTB  and resid  126 and name HB1 ))
      2.500     0.900     0.900 peak  1097 weight  0.10000E+01 volume  0.33897E+01 ppm1      7.919 ppm2      2.472
 ASSI { 1099}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  111 and name HB1 ))
      3.200     1.100     1.100 peak  1099 weight  0.10000E+01 volume  0.82150E+00 ppm1      7.307 ppm2      2.235
 ASSI { 1100}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   96 and name HA  ))
      3.000     1.000     1.000 peak  1100 weight  0.10000E+01 volume  0.11570E+01 ppm1      6.831 ppm2      3.004
 ASSI { 1101}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   95 and name HG2 ))
      3.200     1.100     1.100 peak  1101 weight  0.10000E+01 volume  0.88700E+00 ppm1      6.833 ppm2      2.196
 OR { 1101}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   95 and name HG1 ))
 ASSI { 1104}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   96 and name HN  ))
      2.500     0.900     0.900 peak  1104 weight  0.10000E+01 volume  0.32103E+01 ppm1      6.837 ppm2      7.579
 ASSI { 1106}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   97 and name HA  ))
      2.700     0.900     0.900 peak  1106 weight  0.10000E+01 volume  0.22649E+01 ppm1      6.831 ppm2      3.573
 ASSI { 1107}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   95 and name HB2 ))
      2.500     0.900     0.900 peak  1107 weight  0.10000E+01 volume  0.32514E+01 ppm1      6.834 ppm2      2.031
 ASSI { 1108}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   95 and name HB1 ))
      2.900     1.000     1.000 peak  1108 weight  0.10000E+01 volume  0.13667E+01 ppm1      6.836 ppm2      1.631
 ASSI { 1110}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   97 and name HG2 ))
      3.100     1.100     1.100 peak  1110 weight  0.10000E+01 volume  0.10390E+01 ppm1      6.839 ppm2      1.342
 OR { 1110}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   97 and name HG1 ))
 ASSI { 1111}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid   97 and name HB1 ))
      3.000     1.000     1.000 peak  1111 weight  0.10000E+01 volume  0.11123E+01 ppm1      6.834 ppm2      1.091
 ASSI { 1117}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  169 and name HN  ))
      2.600     0.900     0.900 peak  1117 weight  0.10000E+01 volume  0.27615E+01 ppm1      8.209 ppm2      7.581
 ASSI { 1119}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  167 and name HA2 ))
      3.000     1.000     1.000 peak  1119 weight  0.10000E+01 volume  0.11943E+01 ppm1      8.211 ppm2      3.961
 ASSI { 1120}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
      2.900     1.000     1.000 peak  1120 weight  0.10000E+01 volume  0.14887E+01 ppm1      8.212 ppm2      1.229
 ASSI { 1121}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  167 and name HN  ))
      3.000     1.000     1.000 peak  1121 weight  0.10000E+01 volume  0.11350E+01 ppm1      8.210 ppm2      8.499
 ASSI { 1122}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  168 and name HA  ))
      2.600     0.900     0.900 peak  1122 weight  0.10000E+01 volume  0.28198E+01 ppm1      8.209 ppm2      4.302
 OR { 1122}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  168 and name HB  ))
 ASSI { 1130}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  166 and name HA  ))
      2.800     1.000     1.000 peak  1130 weight  0.10000E+01 volume  0.19000E+01 ppm1      8.498 ppm2      4.723
 ASSI { 1131}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  167 and name HA1 ))
      2.800     1.000     1.000 peak  1131 weight  0.10000E+01 volume  0.17514E+01 ppm1      8.500 ppm2      3.824
 ASSI { 1133}
   (( segid PTB  and resid  167 and name HN  ))
   (( segid PTB  and resid  167 and name HA2 ))
      2.500     0.900     0.900 peak  1133 weight  0.10000E+01 volume  0.32791E+01 ppm1      8.495 ppm2      3.965
 ASSI { 1136}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HA  ))
      2.100     0.700     0.700 peak  1136 weight  0.10000E+01 volume  0.11238E+02 ppm1      9.116 ppm2      4.959
 ASSI { 1137}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  119 and name HA2 ))
      2.900     1.000     1.000 peak  1137 weight  0.10000E+01 volume  0.15259E+01 ppm1      9.116 ppm2      4.653
 ASSI { 1138}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  119 and name HA1 ))
      2.800     1.000     1.000 peak  1138 weight  0.10000E+01 volume  0.18148E+01 ppm1      9.119 ppm2      4.202
 ASSI { 1139}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HG2 ))
      3.200     1.100     1.100 peak  1139 weight  0.10000E+01 volume  0.88150E+00 ppm1      9.114 ppm2      1.686
 OR { 1139}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI { 1140}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      3.000     1.000     1.000 peak  1140 weight  0.10000E+01 volume  0.12313E+01 ppm1      9.111 ppm2      0.949
 OR { 1140}
   (( segid PTB  and resid  119 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 1147}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.500     0.900     0.900 peak  1147 weight  0.10000E+01 volume  0.36080E+01 ppm1      6.644 ppm2      1.366
 ASSI { 1149}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  145 and name HG1 ))
      3.000     1.000     1.000 peak  1149 weight  0.10000E+01 volume  0.12080E+01 ppm1      6.639 ppm2      2.293
 OR { 1149}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  145 and name HG2 ))
 ASSI { 1152}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HB1 ))
      3.100     1.100     1.100 peak  1152 weight  0.10000E+01 volume  0.97560E+00 ppm1      7.298 ppm2      1.985
 OR { 1152}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HB2 ))
 ASSI { 1153}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HG2 ))
      3.000     1.000     1.000 peak  1153 weight  0.10000E+01 volume  0.11121E+01 ppm1      7.302 ppm2      1.727
 OR { 1153}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HG1 ))
 ASSI { 1156}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HD1 ))
      3.100     1.100     1.100 peak  1156 weight  0.10000E+01 volume  0.10329E+01 ppm1      7.289 ppm2      3.140
 OR { 1156}
   (( segid PTB  and resid  201 and name HE  ))
   (( segid PTB  and resid  201 and name HD2 ))
 ASSI { 1158}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  146 and name HA  ))
      3.000     1.000     1.000 peak  1158 weight  0.10000E+01 volume  0.11497E+01 ppm1      6.644 ppm2      4.462
 ASSI { 1177}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HG2 ))
      2.700     0.900     0.900 peak  1177 weight  0.10000E+01 volume  0.21015E+01 ppm1      7.178 ppm2      1.471
 OR { 1177}
   (( segid PTB  and resid  171 and name HE  ))
   (( segid PTB  and resid  171 and name HG1 ))
 ASSI { 1181}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  161 and name HB2 ))
      2.700     0.900     0.900 peak  1181 weight  0.10000E+01 volume  0.24474E+01 ppm1      8.125 ppm2      3.589
 OR { 1181}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  161 and name HB1 ))
 ASSI { 1184}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   77 and name HB2 ))
      2.800     1.000     1.000 peak  1184 weight  0.10000E+01 volume  0.18157E+01 ppm1      8.030 ppm2      1.885
 ASSI { 1185}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   78 and name HA  ))
      2.600     0.900     0.900 peak  1185 weight  0.10000E+01 volume  0.26990E+01 ppm1      8.028 ppm2      4.485
 ASSI { 1187}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   78 and name HB1 ))
      2.700     0.900     0.900 peak  1187 weight  0.10000E+01 volume  0.23644E+01 ppm1      8.026 ppm2      3.891
 OR { 1187}
   (( segid PTB  and resid   78 and name HN  ))
   (( segid PTB  and resid   78 and name HB2 ))
 ASSI { 1220}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  162 and name HA  ))
      2.900     1.000     1.000 peak  1220 weight  0.10000E+01 volume  0.14418E+01 ppm1      8.128 ppm2      5.501
 ASSI { 1221}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  161 and name HA  ))
      2.300     0.800     0.800 peak  1221 weight  0.10000E+01 volume  0.57712E+01 ppm1      8.126 ppm2      5.357
 ASSI { 1225}
   (( segid PTB  and resid   68 and name HE21))
   (( segid PTB  and resid   68 and name HG2 ))
      3.100     1.100     1.100 peak  1225 weight  0.10000E+01 volume  0.10329E+01 ppm1      7.132 ppm2      2.036
 ASSI { 1228}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  129 and name HD1 ))
      2.300     0.800     0.800 peak  1228 weight  0.10000E+01 volume  0.52795E+01 ppm1      7.031 ppm2      2.964
 OR { 1228}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  129 and name HD2 ))
 ASSI { 1229}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  129 and name HG1 ))
      2.600     0.900     0.900 peak  1229 weight  0.10000E+01 volume  0.25527E+01 ppm1      7.030 ppm2      1.641
 OR { 1229}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  129 and name HG2 ))
 OR { 1229}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  129 and name HB2 ))
 ASSI { 1230}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.900     1.000     1.000 peak  1230 weight  0.10000E+01 volume  0.15263E+01 ppm1      7.029 ppm2      0.853
 OR { 1230}
   (( segid PTB  and resid  129 and name HE  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 ASSI { 1244}
   (( segid PTB  and resid  165 and name HE  ))
   (( segid PTB  and resid  165 and name HD2 ))
      3.200     1.100     1.100 peak  1244 weight  0.10000E+01 volume  0.82850E+00 ppm1      6.965 ppm2      2.184
 OR { 1244}
   (( segid PTB  and resid  165 and name HE  ))
   (( segid PTB  and resid  165 and name HD1 ))
 ASSI { 1250}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  182 and name HA  ))
      2.200     0.800     0.800 peak  1250 weight  0.10000E+01 volume  0.75565E+01 ppm1      8.324 ppm2      5.031
 ASSI { 1253}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  183 and name HA  ))
      2.800     1.000     1.000 peak  1253 weight  0.10000E+01 volume  0.19709E+01 ppm1      8.319 ppm2      4.594
 ASSI { 1254}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  183 and name HB1 ))
      2.900     1.000     1.000 peak  1254 weight  0.10000E+01 volume  0.13794E+01 ppm1      8.322 ppm2      4.436
 ASSI { 1255}
   (( segid PTB  and resid  183 and name HN  ))
   (( segid PTB  and resid  183 and name HB2 ))
      2.700     0.900     0.900 peak  1255 weight  0.10000E+01 volume  0.24131E+01 ppm1      8.320 ppm2      4.050
 ASSI { 1269}
   (( segid PTB  and resid   97 and name HE  ))
   (( segid PTB  and resid   97 and name HD1 ))
      3.000     1.000     1.000 peak  1269 weight  0.10000E+01 volume  0.12156E+01 ppm1      7.159 ppm2      3.023
 OR { 1269}
   (( segid PTB  and resid   97 and name HE  ))
   (( segid PTB  and resid   97 and name HD2 ))
 ASSI { 1270}
   (( segid PTB  and resid   97 and name HE  ))
   (( segid PTB  and resid   97 and name HB2 ))
      3.100     1.100     1.100 peak  1270 weight  0.10000E+01 volume  0.95460E+00 ppm1      7.164 ppm2      1.463
 ASSI { 1272}
   (( segid PTB  and resid  165 and name HE  ))
   (( segid PTB  and resid  165 and name HB2 ))
      3.100     1.100     1.100 peak  1272 weight  0.10000E+01 volume  0.10775E+01 ppm1      6.972 ppm2      1.358
 OR { 1272}
   (( segid PTB  and resid  165 and name HE  ))
   (( segid PTB  and resid  165 and name HB1 ))
 ASSI { 1285}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  187 and name HN  ))
      2.800     1.000     1.000 peak  1285 weight  0.10000E+01 volume  0.17918E+01 ppm1      7.735 ppm2      6.524
 ASSI { 1287}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  187 and name HB2 ))
      2.900     1.000     1.000 peak  1287 weight  0.10000E+01 volume  0.16207E+01 ppm1      7.724 ppm2      0.644
 OR { 1287}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  187 and name HB1 ))
 ASSI { 1288}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
      3.000     1.000     1.000 peak  1288 weight  0.10000E+01 volume  0.11868E+01 ppm1      7.730 ppm2     -0.129
 ASSI { 1304}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  190 and name HN  ))
      2.900     1.000     1.000 peak  1304 weight  0.10000E+01 volume  0.13688E+01 ppm1      7.743 ppm2      7.347
 ASSI { 1305}
   (( segid PTB  and resid  188 and name HN  ))
   (( segid PTB  and resid  189 and name HN  ))
      2.900     1.000     1.000 peak  1305 weight  0.10000E+01 volume  0.14259E+01 ppm1      7.734 ppm2      8.073
 ASSI { 1313}
   (( segid PTB  and resid  170 and name HE  ))
   (( segid PTB  and resid  170 and name HD2 ))
      2.800     1.000     1.000 peak  1313 weight  0.10000E+01 volume  0.17758E+01 ppm1      7.159 ppm2      3.137
 OR { 1313}
   (( segid PTB  and resid  170 and name HE  ))
   (( segid PTB  and resid  170 and name HD1 ))
 ASSI { 1322}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   90 and name HA  ))
      2.700     0.900     0.900 peak  1322 weight  0.10000E+01 volume  0.23407E+01 ppm1      7.910 ppm2      5.767
 ASSI { 1324}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   89 and name HA1 ))
      2.300     0.800     0.800 peak  1324 weight  0.10000E+01 volume  0.64667E+01 ppm1      7.910 ppm2      4.124
 ASSI { 1325}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   89 and name HA2 ))
      2.400     0.800     0.800 peak  1325 weight  0.10000E+01 volume  0.41512E+01 ppm1      7.910 ppm2      2.850
 ASSI { 1326}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.800     1.000     1.000 peak  1326 weight  0.10000E+01 volume  0.17939E+01 ppm1      7.905 ppm2      0.415
 ASSI { 1334}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  184 and name HA2 ))
      3.000     1.000     1.000 peak  1334 weight  0.10000E+01 volume  0.12215E+01 ppm1      9.435 ppm2      3.526
 ASSI { 1336}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  183 and name HA  ))
      2.500     0.900     0.900 peak  1336 weight  0.10000E+01 volume  0.37229E+01 ppm1      9.430 ppm2      4.598
 ASSI { 1337}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  184 and name HA1 ))
      2.700     0.900     0.900 peak  1337 weight  0.10000E+01 volume  0.21089E+01 ppm1      9.433 ppm2      4.300
 ASSI { 1346}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   95 and name HB2 ))
      2.700     0.900     0.900 peak  1346 weight  0.10000E+01 volume  0.24036E+01 ppm1      7.579 ppm2      2.037
 ASSI { 1347}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   96 and name HB2 ))
      2.700     0.900     0.900 peak  1347 weight  0.10000E+01 volume  0.20714E+01 ppm1      7.583 ppm2      1.457
 ASSI { 1349}
   (( segid PTB  and resid  184 and name HN  ))
   (( segid PTB  and resid  158 and name HA  ))
      2.700     0.900     0.900 peak  1349 weight  0.10000E+01 volume  0.20461E+01 ppm1      9.435 ppm2      4.724
 ASSI { 1352}
   (( segid PTB  and resid   96 and name HN  ))
   (( segid PTB  and resid   96 and name HA  ))
      3.000     1.000     1.000 peak  1352 weight  0.10000E+01 volume  0.12987E+01 ppm1      7.584 ppm2      2.997
 ASSI { 1372}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.100     1.100     1.100 peak  1372 weight  0.10000E+01 volume  0.10878E+01 ppm1      7.547 ppm2      1.636
 ASSI { 1374}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  127 and name HA2 ))
      2.800     1.000     1.000 peak  1374 weight  0.10000E+01 volume  0.19684E+01 ppm1      7.543 ppm2      4.457
 ASSI { 1375}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  127 and name HA1 ))
      2.500     0.900     0.900 peak  1375 weight  0.10000E+01 volume  0.34788E+01 ppm1      7.546 ppm2      3.999
 ASSI { 1376}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  126 and name HB1 ))
      3.100     1.100     1.100 peak  1376 weight  0.10000E+01 volume  0.10238E+01 ppm1      7.541 ppm2      2.476
 ASSI { 1377}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      3.200     1.100     1.100 peak  1377 weight  0.10000E+01 volume  0.81470E+00 ppm1      7.542 ppm2      0.864
 ASSI { 1380}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  193 and name HN  ))
      2.800     1.000     1.000 peak  1380 weight  0.10000E+01 volume  0.16679E+01 ppm1      8.340 ppm2      7.488
 ASSI { 1381}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  191 and name HB  ))
      2.800     1.000     1.000 peak  1381 weight  0.10000E+01 volume  0.18734E+01 ppm1      8.338 ppm2      2.138
 ASSI { 1382}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  192 and name HA1 ))
      2.600     0.900     0.900 peak  1382 weight  0.10000E+01 volume  0.28516E+01 ppm1      8.340 ppm2      1.896
 ASSI { 1383}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  192 and name HA2 ))
      2.800     1.000     1.000 peak  1383 weight  0.10000E+01 volume  0.17898E+01 ppm1      8.336 ppm2      2.751
 ASSI { 1384}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  124 and name HN  ))
      2.800     1.000     1.000 peak  1384 weight  0.10000E+01 volume  0.16531E+01 ppm1      7.541 ppm2      8.334
 ASSI { 1386}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   80 and name HA  ))
      2.800     1.000     1.000 peak  1386 weight  0.10000E+01 volume  0.16518E+01 ppm1      8.605 ppm2      4.528
 ASSI { 1391}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   79 and name HA  ))
      2.800     1.000     1.000 peak  1391 weight  0.10000E+01 volume  0.17573E+01 ppm1      8.607 ppm2      4.155
 ASSI { 1392}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      2.800     1.000     1.000 peak  1392 weight  0.10000E+01 volume  0.19069E+01 ppm1      8.609 ppm2      1.541
 ASSI { 1393}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.900     1.000     1.000 peak  1393 weight  0.10000E+01 volume  0.15237E+01 ppm1      8.608 ppm2      1.072
 ASSI { 1397}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  135 and name HB  ))
      3.000     1.000     1.000 peak  1397 weight  0.10000E+01 volume  0.12133E+01 ppm1      8.383 ppm2      4.387
 OR { 1397}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  135 and name HA  ))
 ASSI { 1399}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  137 and name HA2 ))
      2.300     0.800     0.800 peak  1399 weight  0.10000E+01 volume  0.53995E+01 ppm1      8.383 ppm2      3.556
 ASSI { 1400}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  132 and name HB1 ))
      2.700     0.900     0.900 peak  1400 weight  0.10000E+01 volume  0.24743E+01 ppm1      8.386 ppm2      2.969
 ASSI { 1405}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  135 and name HA  ))
      2.600     0.900     0.900 peak  1405 weight  0.10000E+01 volume  0.27012E+01 ppm1      8.097 ppm2      4.382
 OR { 1405}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  135 and name HB  ))
 ASSI { 1406}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  134 and name HB2 ))
      2.500     0.900     0.900 peak  1406 weight  0.10000E+01 volume  0.36822E+01 ppm1      8.097 ppm2      2.240
 OR { 1406}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  134 and name HB1 ))
 ASSI { 1407}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      2.500     0.900     0.900 peak  1407 weight  0.10000E+01 volume  0.38011E+01 ppm1      8.096 ppm2      1.248
 ASSI { 1410}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  158 and name HN  ))
      2.500     0.900     0.900 peak  1410 weight  0.10000E+01 volume  0.32783E+01 ppm1      8.478 ppm2      9.853
 ASSI { 1413}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  159 and name HA2 ))
      2.500     0.900     0.900 peak  1413 weight  0.10000E+01 volume  0.38327E+01 ppm1      8.481 ppm2      3.608
 OR { 1413}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  159 and name HA1 ))
 ASSI { 1418}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
      3.100     1.100     1.100 peak  1418 weight  0.10000E+01 volume  0.10749E+01 ppm1      8.005 ppm2      6.606
 ASSI { 1419}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.700     0.900     0.900 peak  1419 weight  0.10000E+01 volume  0.24176E+01 ppm1      8.000 ppm2      0.474
 ASSI { 1421}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid   90 and name HA  ))
      3.100     1.100     1.100 peak  1421 weight  0.10000E+01 volume  0.10063E+01 ppm1      7.999 ppm2      5.763
 ASSI { 1422}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  176 and name HA1 ))
      3.000     1.000     1.000 peak  1422 weight  0.10000E+01 volume  0.12782E+01 ppm1      7.995 ppm2      4.913
 ASSI { 1423}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  175 and name HA  ))
      2.300     0.800     0.800 peak  1423 weight  0.10000E+01 volume  0.55189E+01 ppm1      7.999 ppm2      4.640
 ASSI { 1424}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  176 and name HA2 ))
      2.700     0.900     0.900 peak  1424 weight  0.10000E+01 volume  0.22715E+01 ppm1      7.994 ppm2      3.126
 ASSI { 1435}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  125 and name HA2 ))
      2.600     0.900     0.900 peak  1435 weight  0.10000E+01 volume  0.29146E+01 ppm1      9.143 ppm2      3.989
 ASSI { 1438}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  124 and name HA  ))
      2.500     0.900     0.900 peak  1438 weight  0.10000E+01 volume  0.32036E+01 ppm1      9.138 ppm2      5.160
 ASSI { 1440}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  125 and name HA1 ))
      2.500     0.900     0.900 peak  1440 weight  0.10000E+01 volume  0.37631E+01 ppm1      9.136 ppm2      3.605
 ASSI { 1441}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.100     1.100     1.100 peak  1441 weight  0.10000E+01 volume  0.10875E+01 ppm1      9.124 ppm2      0.999
 ASSI { 1465}
   (( segid PTB  and resid  125 and name HN  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      3.200     1.100     1.100 peak  1465 weight  0.10000E+01 volume  0.82060E+00 ppm1      9.120 ppm2      0.559
 ASSI { 1469}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   98 and name HA2 ))
      2.900     1.000     1.000 peak  1469 weight  0.10000E+01 volume  0.15240E+01 ppm1      3.161 ppm2      4.295
 ASSI { 1470}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   97 and name HA  ))
      2.400     0.800     0.800 peak  1470 weight  0.10000E+01 volume  0.47897E+01 ppm1      3.153 ppm2      3.569
 ASSI { 1472}
   (( segid PTB  and resid   89 and name HN  ))
   (( segid PTB  and resid   88 and name HN  ))
      2.700     0.900     0.900 peak  1472 weight  0.10000E+01 volume  0.24162E+01 ppm1      5.124 ppm2      8.346
 ASSI { 1475}
   (( segid PTB  and resid   98 and name HN  ))
   (( segid PTB  and resid   97 and name HB2 ))
      3.100     1.100     1.100 peak  1475 weight  0.10000E+01 volume  0.90620E+00 ppm1      3.151 ppm2      1.434
 ASSI { 1477}
   (( segid PTB  and resid  118 and name HN  ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      3.400     1.200     1.200 peak  1477 weight  0.10000E+01 volume  0.59060E+00 ppm1      8.988 ppm2      1.153
 ASSI { 1480}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid   84 and name HA  ))
      3.300     1.200     1.200 peak  1480 weight  0.10000E+01 volume  0.72330E+00 ppm1      9.078 ppm2      4.952
 ASSI { 1481}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      3.300     1.200     1.200 peak  1481 weight  0.10000E+01 volume  0.69910E+00 ppm1      8.548 ppm2      0.283
 ASSI { 1483}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
      3.300     1.200     1.200 peak  1483 weight  0.10000E+01 volume  0.68140E+00 ppm1      8.095 ppm2      2.607
 ASSI { 1485}
   (( segid PTB  and resid   84 and name HN  ))
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
      3.200     1.100     1.100 peak  1485 weight  0.10000E+01 volume  0.76010E+00 ppm1      9.382 ppm2      6.953
 ASSI { 1486}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid  178 and name HN  ))
      3.200     1.100     1.100 peak  1486 weight  0.10000E+01 volume  0.77950E+00 ppm1      9.176 ppm2      8.914
 ASSI { 1487}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   86 and name HA  ))
      3.200     1.100     1.100 peak  1487 weight  0.10000E+01 volume  0.79180E+00 ppm1      9.177 ppm2      5.016
 ASSI { 1489}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   87 and name HA  ))
      3.200     1.100     1.100 peak  1489 weight  0.10000E+01 volume  0.81120E+00 ppm1      9.688 ppm2      4.772
 ASSI { 1490}
   (( segid PTB  and resid   87 and name HN  ))
   (( segid PTB  and resid   86 and name HB1 ))
      3.400     1.200     1.200 peak  1490 weight  0.10000E+01 volume  0.58600E+00 ppm1      9.660 ppm2      1.506
 ASSI { 1491}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   87 and name HD1 )
     OR 
    ( segid PTB  and resid   87 and name HD2 ))
      3.300     1.200     1.200 peak  1491 weight  0.10000E+01 volume  0.72670E+00 ppm1      8.361 ppm2      6.448
 ASSI { 1492}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HA  ))
      3.200     1.100     1.100 peak  1492 weight  0.10000E+01 volume  0.74580E+00 ppm1      8.359 ppm2      3.986
 ASSI { 1494}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   89 and name HN  ))
      3.300     1.200     1.200 peak  1494 weight  0.10000E+01 volume  0.66980E+00 ppm1      7.915 ppm2      5.122
 ASSI { 1495}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      3.400     1.200     1.200 peak  1495 weight  0.10000E+01 volume  0.61260E+00 ppm1      8.357 ppm2      1.792
 ASSI { 1496}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid   99 and name HA  ))
      3.200     1.100     1.100 peak  1496 weight  0.10000E+01 volume  0.76630E+00 ppm1      7.124 ppm2      4.036
 ASSI { 1497}
   (( segid PTB  and resid  102 and name HN  ))
   (( segid PTB  and resid  101 and name HA  ))
      3.300     1.200     1.200 peak  1497 weight  0.10000E+01 volume  0.69290E+00 ppm1      7.120 ppm2      3.616
 ASSI { 1498}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      3.200     1.100     1.100 peak  1498 weight  0.10000E+01 volume  0.77280E+00 ppm1      6.836 ppm2      0.853
 OR { 1498}
   (( segid PTB  and resid   97 and name HN  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1500}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  101 and name HA  ))
      3.400     1.200     1.200 peak  1500 weight  0.10000E+01 volume  0.58520E+00 ppm1      8.176 ppm2      3.615
 ASSI { 1501}
   (( segid PTB  and resid  146 and name HN  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      3.400     1.200     1.200 peak  1501 weight  0.10000E+01 volume  0.59220E+00 ppm1      6.655 ppm2      0.899
 ASSI { 1502}
   (( segid PTB  and resid  194 and name HN  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      3.500     1.200     1.200 peak  1502 weight  0.10000E+01 volume  0.50270E+00 ppm1      7.538 ppm2      1.002
 ASSI { 1503}
   (( segid PTB  and resid  100 and name HN  ))
   (( segid PTB  and resid  100 and name HA  ))
      2.700     0.900     0.900 peak  1503 weight  0.10000E+01 volume  0.22394E+01 ppm1      8.841 ppm2      4.159
 ASSI { 1504}
   (( segid PTB  and resid  113 and name HN  ))
   (( segid PTB  and resid  112 and name HB1 ))
      3.500     1.200     1.200 peak  1504 weight  0.10000E+01 volume  0.50320E+00 ppm1      8.459 ppm2      4.028
 ASSI { 1505}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  112 and name HB2 ))
      3.200     1.100     1.100 peak  1505 weight  0.10000E+01 volume  0.87000E+00 ppm1      7.907 ppm2      3.953
 ASSI { 1506}
   (( segid PTB  and resid  114 and name HN  ))
   (( segid PTB  and resid  113 and name HB2 ))
      3.200     1.100     1.100 peak  1506 weight  0.10000E+01 volume  0.89710E+00 ppm1      7.901 ppm2      2.039
 ASSI { 1507}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      3.300     1.200     1.200 peak  1507 weight  0.10000E+01 volume  0.69850E+00 ppm1      8.057 ppm2      0.771
 ASSI { 1509}
   (( segid PTB  and resid   89 and name HN  ))
   (( segid PTB  and resid   89 and name HA2 ))
      2.900     1.000     1.000 peak  1509 weight  0.10000E+01 volume  0.13667E+01 ppm1      5.126 ppm2      2.837
 ASSI { 1510}
   (( segid PTB  and resid   89 and name HN  ))
   (( segid PTB  and resid   89 and name HA1 ))
      2.700     0.900     0.900 peak  1510 weight  0.10000E+01 volume  0.21378E+01 ppm1      5.114 ppm2      4.132
 ASSI { 1511}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  103 and name HB1 ))
      3.100     1.100     1.100 peak  1511 weight  0.10000E+01 volume  0.10851E+01 ppm1      8.184 ppm2      1.923
 OR { 1511}
   (( segid PTB  and resid  104 and name HN  ))
   (( segid PTB  and resid  103 and name HB2 ))
 ASSI { 1512}
   (( segid PTB  and resid  135 and name HN  ))
   (( segid PTB  and resid  134 and name HA  ))
      3.200     1.100     1.100 peak  1512 weight  0.10000E+01 volume  0.77317E+00 ppm1      8.109 ppm2      4.241
 ASSI { 1513}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  132 and name HB1 ))
      3.300     1.200     1.200 peak  1513 weight  0.10000E+01 volume  0.67068E+00 ppm1      8.074 ppm2      2.974
 ASSI { 1515}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  136 and name HB1 ))
      3.500     1.200     1.200 peak  1515 weight  0.10000E+01 volume  0.49527E+00 ppm1      8.076 ppm2      1.975
 ASSI { 1516}
   (( segid PTB  and resid  136 and name HN  ))
   (( segid PTB  and resid  136 and name HD2 ))
      3.300     1.200     1.200 peak  1516 weight  0.10000E+01 volume  0.67800E+00 ppm1      8.066 ppm2      1.708
 ASSI { 1517}
   (( segid PTB  and resid  137 and name HN  ))
   (( segid PTB  and resid  132 and name HB2 ))
      3.300     1.200     1.200 peak  1517 weight  0.10000E+01 volume  0.64656E+00 ppm1      8.386 ppm2      2.613
 ASSI { 1518}
   (( segid PTB  and resid  128 and name HN  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      3.300     1.200     1.200 peak  1518 weight  0.10000E+01 volume  0.71967E+00 ppm1      8.554 ppm2      1.125
 ASSI { 1519}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HG1 ))
      3.200     1.100     1.100 peak  1519 weight  0.10000E+01 volume  0.78672E+00 ppm1      8.811 ppm2      1.614
 OR { 1519}
   (( segid PTB  and resid  142 and name HN  ))
   (( segid PTB  and resid  129 and name HG2 ))
 ASSI { 1520}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  144 and name HB  ))
      3.300     1.200     1.200 peak  1520 weight  0.10000E+01 volume  0.71471E+00 ppm1      8.608 ppm2      1.648
 OR { 1520}
   (( segid PTB  and resid  145 and name HN  ))
   (( segid PTB  and resid  144 and name HG11))
 ASSI { 1521}
   (( segid PTB  and resid   74 and name HN  ))
   (( segid PTB  and resid   71 and name HA  ))
      3.300     1.200     1.200 peak  1521 weight  0.10000E+01 volume  0.68221E+00 ppm1      7.731 ppm2      4.241
 ASSI { 1522}
   (( segid PTB  and resid   77 and name HN  ))
   (( segid PTB  and resid   74 and name HA  ))
      3.300     1.200     1.200 peak  1522 weight  0.10000E+01 volume  0.70402E+00 ppm1      8.081 ppm2      4.003
 ASSI { 1523}
   (( segid PTB  and resid  185 and name HN  ))
   (( segid PTB  and resid  184 and name HA2 ))
      3.400     1.200     1.200 peak  1523 weight  0.10000E+01 volume  0.59001E+00 ppm1      8.676 ppm2      3.525
 ASSI { 1525}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  190 and name HA  ))
      3.500     1.200     1.200 peak  1525 weight  0.10000E+01 volume  0.49630E+00 ppm1      7.741 ppm2      3.541
 ASSI { 1527}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  191 and name HA  ))
      3.300     1.200     1.200 peak  1527 weight  0.10000E+01 volume  0.68937E+00 ppm1      8.339 ppm2      2.965
 ASSI { 1528}
   (( segid PTB  and resid  192 and name HN  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      3.300     1.200     1.200 peak  1528 weight  0.10000E+01 volume  0.68020E+00 ppm1      8.333 ppm2      0.264
 ASSI { 1532}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  172 and name HB1 ))
      3.300     1.200     1.200 peak  1532 weight  0.10000E+01 volume  0.72767E+00 ppm1      8.694 ppm2      2.609
 ASSI { 1533}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  172 and name HA  ))
      3.200     1.100     1.100 peak  1533 weight  0.10000E+01 volume  0.77867E+00 ppm1      8.692 ppm2      5.291
 ASSI { 1534}
   (( segid PTB  and resid  175 and name HN  ))
   (( segid PTB  and resid  175 and name HB2 ))
      3.300     1.200     1.200 peak  1534 weight  0.10000E+01 volume  0.63172E+00 ppm1      8.710 ppm2      2.623
 ASSI { 1536}
   (( segid PTB  and resid  176 and name HN  ))
   (( segid PTB  and resid  175 and name HB2 ))
      3.400     1.200     1.200 peak  1536 weight  0.10000E+01 volume  0.56029E+00 ppm1      8.006 ppm2      2.600
 ASSI { 1538}
   (( segid PTB  and resid   90 and name HN  ))
   (( segid PTB  and resid   91 and name HN  ))
      3.500     1.200     1.200 peak  1538 weight  0.10000E+01 volume  0.51910E+00 ppm1      7.909 ppm2      8.333
 ASSI { 1539}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      3.200     1.100     1.100 peak  1539 weight  0.10000E+01 volume  0.80000E+00 ppm1      8.276 ppm2      0.801
 ASSI { 1540}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   86 and name HB2 ))
      3.300     1.200     1.200 peak  1540 weight  0.10000E+01 volume  0.72197E+00 ppm1      8.915 ppm2      1.850
 ASSI { 1542}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
      3.400     1.200     1.200 peak  1542 weight  0.10000E+01 volume  0.59031E+00 ppm1      8.115 ppm2      7.341
 ASSI { 1543}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  175 and name HB2 ))
      3.400     1.200     1.200 peak  1543 weight  0.10000E+01 volume  0.57591E+00 ppm1      8.124 ppm2      2.648
 ASSI { 1544}
   (( segid PTB  and resid  162 and name HN  ))
   (( segid PTB  and resid  175 and name HB1 ))
      3.500     1.200     1.200 peak  1544 weight  0.10000E+01 volume  0.50974E+00 ppm1      8.133 ppm2      1.804
 ASSI { 1546}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  177 and name HB2 ))
      3.300     1.200     1.200 peak  1546 weight  0.10000E+01 volume  0.74364E+00 ppm1      9.160 ppm2      2.880
 ASSI { 1548}
   (( segid PTB  and resid  156 and name HN  ))
   (( segid PTB  and resid  156 and name HB2 ))
      3.200     1.100     1.100 peak  1548 weight  0.10000E+01 volume  0.79148E+00 ppm1      7.696 ppm2      3.364
 ASSI { 1550}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      3.500     1.200     1.200 peak  1550 weight  0.10000E+01 volume  0.48395E+00 ppm1      9.137 ppm2      1.358
 ASSI { 1551}
   (( segid PTB  and resid  140 and name HN  ))
   (( segid PTB  and resid  138 and name HA  ))
      3.200     1.100     1.100 peak  1551 weight  0.10000E+01 volume  0.79399E+00 ppm1      7.264 ppm2      4.550
 ASSI { 1552}
   (( segid PTB  and resid  112 and name HN  ))
   (( segid PTB  and resid  109 and name HA  ))
      3.300     1.200     1.200 peak  1552 weight  0.10000E+01 volume  0.67286E+00 ppm1      7.311 ppm2      3.830
 ASSI { 1553}
   (( segid PTB  and resid   80 and name HN  ))
   (( segid PTB  and resid   80 and name HB  ))
      3.400     1.200     1.200 peak  1553 weight  0.10000E+01 volume  0.58999E+00 ppm1      8.618 ppm2      4.347
 ASSI { 1556}
   (( segid PTB  and resid  160 and name HN  ))
   (( segid PTB  and resid  160 and name HB1 ))
      3.400     1.200     1.200 peak  1556 weight  0.10000E+01 volume  0.59313E+00 ppm1      8.818 ppm2      3.452
 ASSI { 1557}
   (( segid PTB  and resid  127 and name HN  ))
   (( segid PTB  and resid  128 and name HN  ))
      3.500     1.200     1.200 peak  1557 weight  0.10000E+01 volume  0.51447E+00 ppm1      7.547 ppm2      8.559
 ASSI { 1558}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid  171 and name HG1 ))
      3.300     1.200     1.200 peak  1558 weight  0.10000E+01 volume  0.67526E+00 ppm1      8.668 ppm2      1.452
 ASSI { 1559}
   (( segid PTB  and resid  172 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      3.400     1.200     1.200 peak  1559 weight  0.10000E+01 volume  0.59995E+00 ppm1      8.696 ppm2      0.642
 ASSI { 1565}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  147 and name HB  ))
      3.400     1.200     1.200 peak  1565 weight  0.10000E+01 volume  0.56710E+00 ppm1      8.067 ppm2      2.450
 ASSI { 1566}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  149 and name HB1 ))
      3.200     1.100     1.100 peak  1566 weight  0.10000E+01 volume  0.74926E+00 ppm1      8.082 ppm2      2.567
 OR { 1566}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  149 and name HB2 ))
 ASSI { 1567}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  163 and name HG12))
      3.300     1.200     1.200 peak  1567 weight  0.10000E+01 volume  0.62578E+00 ppm1      8.086 ppm2      1.684
 OR { 1567}
   (( segid PTB  and resid  149 and name HN  ))
   (( segid PTB  and resid  163 and name HB  ))
 ASSI { 1570}
   (( segid PTB  and resid  165 and name HN  ))
   (( segid PTB  and resid   96 and name HB1 ))
      3.400     1.200     1.200 peak  1570 weight  0.10000E+01 volume  0.55742E+00 ppm1      8.270 ppm2      2.886
 ASSI { 1575}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  154 and name HB2 ))
      3.400     1.200     1.200 peak  1575 weight  0.10000E+01 volume  0.60469E+00 ppm1      8.756 ppm2      1.842
 OR { 1575}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  154 and name HB1 ))
 OR { 1575}
   (( segid PTB  and resid  155 and name HN  ))
   (( segid PTB  and resid  154 and name HG2 ))
 ASSI { 1576}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  160 and name HB1 ))
      3.300     1.200     1.200 peak  1576 weight  0.10000E+01 volume  0.63341E+00 ppm1      7.661 ppm2      3.448
 ASSI { 1577}
   (( segid PTB  and resid  158 and name HN  ))
   (( segid PTB  and resid  157 and name HA  ))
      3.300     1.200     1.200 peak  1577 weight  0.10000E+01 volume  0.70065E+00 ppm1      9.844 ppm2      4.441
 ASSI { 1578}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  160 and name HN  ))
      3.300     1.200     1.200 peak  1578 weight  0.10000E+01 volume  0.64620E+00 ppm1      8.477 ppm2      8.821
 ASSI { 1579}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   96 and name HN  ))
      3.300     1.200     1.200 peak  1579 weight  0.10000E+01 volume  0.65127E+00 ppm1      7.191 ppm2      7.553
 ASSI { 1580}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid   93 and name HA  ))
      3.200     1.100     1.100 peak  1580 weight  0.10000E+01 volume  0.81710E+00 ppm1      7.186 ppm2      4.424
 ASSI { 1583}
   (( segid PTB  and resid  101 and name HN  ))
   (( segid PTB  and resid  100 and name HB1 ))
      3.100     1.100     1.100 peak  1583 weight  0.10000E+01 volume  0.90000E+00 ppm1      6.859 ppm2      2.073
 ASSI { 1584}
   (( segid PTB  and resid  103 and name HN  ))
   (( segid PTB  and resid  102 and name HB1 ))
      3.500     1.200     1.200 peak  1584 weight  0.10000E+01 volume  0.46103E+00 ppm1      8.448 ppm2      3.186
 ASSI { 1589}
   (( segid PTB  and resid  123 and name HN  ))
   (( segid PTB  and resid   82 and name HA  ))
      3.200     1.100     1.100 peak  1589 weight  0.10000E+01 volume  0.79864E+00 ppm1      8.318 ppm2      5.424
 ASSI { 1590}
   (( segid PTB  and resid  124 and name HN  ))
   (( segid PTB  and resid  128 and name HA  ))
      3.400     1.200     1.200 peak  1590 weight  0.10000E+01 volume  0.59090E+00 ppm1      8.315 ppm2      5.307
 ASSI { 1592}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  177 and name HA  ))
      3.200     1.100     1.100 peak  1592 weight  0.10000E+01 volume  0.79569E+00 ppm1      9.155 ppm2      5.418
 ASSI { 1596}
   (( segid PTB  and resid  159 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      3.400     1.200     1.200 peak  1596 weight  0.10000E+01 volume  0.53510E+00 ppm1      8.476 ppm2      0.553
 ASSI { 1600}
   (( segid PTB  and resid  168 and name HN  ))
   (( segid PTB  and resid  167 and name HA1 ))
      3.400     1.200     1.200 peak  1600 weight  0.10000E+01 volume  0.61759E+00 ppm1      8.229 ppm2      3.839
 ASSI { 1603}
   (( segid PTB  and resid  170 and name HN  ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      3.400     1.200     1.200 peak  1603 weight  0.10000E+01 volume  0.59789E+00 ppm1      7.931 ppm2      1.199
 ASSI { 1604}
   (( segid PTB  and resid  171 and name HN  ))
   (( segid PTB  and resid  166 and name HB2 ))
      3.300     1.200     1.200 peak  1604 weight  0.10000E+01 volume  0.72594E+00 ppm1      7.347 ppm2      2.462
 ASSI { 1606}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  172 and name HB2 ))
      3.400     1.200     1.200 peak  1606 weight  0.10000E+01 volume  0.59149E+00 ppm1      9.168 ppm2      2.639
 OR { 1606}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  172 and name HB1 ))
 ASSI { 1607}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  171 and name HG1 ))
      3.200     1.100     1.100 peak  1607 weight  0.10000E+01 volume  0.74740E+00 ppm1      9.181 ppm2      1.409
 ASSI { 1609}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HB1 ))
      3.500     1.200     1.200 peak  1609 weight  0.10000E+01 volume  0.47592E+00 ppm1      9.701 ppm2      1.770
 OR { 1609}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HB2 ))
 OR { 1609}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  158 and name HG2 ))
 ASSI { 1610}
   (( segid PTB  and resid  179 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      3.300     1.200     1.200 peak  1610 weight  0.10000E+01 volume  0.63912E+00 ppm1      9.714 ppm2      0.566
 ASSI { 1612}
   (( segid PTB  and resid  182 and name HN  ))
   (( segid PTB  and resid  180 and name HN  ))
      3.300     1.200     1.200 peak  1612 weight  0.10000E+01 volume  0.66010E+00 ppm1      7.033 ppm2      8.248
 ASSI { 1616}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   73 and name HG2 ))
      3.100     1.100     1.100 peak  1616 weight  0.10000E+01 volume  0.10200E+01 ppm1      7.948 ppm2      2.193
 OR { 1616}
   (( segid PTB  and resid   73 and name HN  ))
   (( segid PTB  and resid   73 and name HG1 ))
 ASSI {   90}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid  101 and name HB  ))
      2.300     0.800     0.800 peak    90 weight  0.10000E+01 volume  0.34726E+01 ppm1      0.860 ppm2      1.980
 OR {   90}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid  101 and name HB  ))
 ASSI {  134}
   (( segid PTB  and resid  114 and name HA  ))
   (( segid PTB  and resid  114 and name HB1 ))
      2.300     0.800     0.800 peak   134 weight  0.10000E+01 volume  0.34085E+01 ppm1      4.245 ppm2      1.709
 OR {  134}
   (( segid PTB  and resid  114 and name HA  ))
   (( segid PTB  and resid  114 and name HB2 ))
 ASSI {  160}
   (( segid PTB  and resid  118 and name HA  ))
   (( segid PTB  and resid  118 and name HB1 ))
      2.700     0.900     0.900 peak   160 weight  0.10000E+01 volume  0.14736E+01 ppm1      4.984 ppm2      1.835
 ASSI {  161}
   (( segid PTB  and resid  118 and name HA  ))
   (( segid PTB  and resid  118 and name HB2 ))
      2.700     0.900     0.900 peak   161 weight  0.10000E+01 volume  0.14926E+01 ppm1      4.967 ppm2      2.049
 ASSI {  168}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  114 and name HB1 ))
      2.600     0.900     0.900 peak   168 weight  0.10000E+01 volume  0.19129E+01 ppm1      3.175 ppm2      1.687
 OR {  168}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  114 and name HB1 ))
 OR {  168}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  114 and name HB2 ))
 OR {  168}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  114 and name HB2 ))
 ASSI {  169}
   (( segid PTB  and resid  118 and name HB2 ))
   (( segid PTB  and resid  118 and name HB1 ))
      2.000     0.700     0.700 peak   169 weight  0.10000E+01 volume  0.84782E+01 ppm1      2.054 ppm2      1.840
 ASSI {  253}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HB2 ))
      2.400     0.800     0.800 peak   253 weight  0.10000E+01 volume  0.26784E+01 ppm1      4.337 ppm2      1.958
 OR {  253}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HB1 ))
 ASSI {  270}
   (( segid PTB  and resid  118 and name HD2 ))
   (( segid PTB  and resid  118 and name HB2 ))
      2.700     0.900     0.900 peak   270 weight  0.10000E+01 volume  0.14828E+01 ppm1      3.266 ppm2      2.059
 OR {  270}
   (( segid PTB  and resid  118 and name HD1 ))
   (( segid PTB  and resid  118 and name HB2 ))
 ASSI {  305}
   (( segid PTB  and resid   90 and name HA  ))
   (( segid PTB  and resid   90 and name HB1 ))
      2.700     0.900     0.900 peak   305 weight  0.10000E+01 volume  0.14774E+01 ppm1      5.795 ppm2      1.620
 OR {  305}
   (( segid PTB  and resid   90 and name HA  ))
   (( segid PTB  and resid   90 and name HB2 ))
 ASSI {  321}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  201 and name HB1 ))
      2.600     0.900     0.900 peak   321 weight  0.10000E+01 volume  0.17771E+01 ppm1      4.156 ppm2      2.032
 OR {  321}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  201 and name HB2 ))
 ASSI {  322}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  110 and name HB2 ))
      2.700     0.900     0.900 peak   322 weight  0.10000E+01 volume  0.13497E+01 ppm1      3.899 ppm2      1.916
 OR {  322}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  110 and name HB1 ))
 ASSI {  340}
   (( segid PTB  and resid  115 and name HA  ))
   (( segid PTB  and resid  115 and name HB1 ))
      2.500     0.900     0.900 peak   340 weight  0.10000E+01 volume  0.25305E+01 ppm1      4.510 ppm2      1.825
 OR {  340}
   (( segid PTB  and resid  115 and name HA  ))
   (( segid PTB  and resid  115 and name HB2 ))
 ASSI {  342}
   (( segid PTB  and resid  203 and name HA  ))
   (( segid PTB  and resid  201 and name HB2 ))
      2.300     2.300     2.200 peak   342 weight  0.10000E+01 volume  0.38945E+01 ppm1      4.228 ppm2      2.067
 OR {  342}
   (( segid PTB  and resid  203 and name HA  ))
   (( segid PTB  and resid  201 and name HB1 ))
 ASSI {  343}
   (( segid PTB  and resid  154 and name HD2 ))
   (( segid PTB  and resid  154 and name HB1 ))
      2.300     0.800     0.800 peak   343 weight  0.10000E+01 volume  0.34929E+01 ppm1      3.262 ppm2      1.836
 OR {  343}
   (( segid PTB  and resid  154 and name HD2 ))
   (( segid PTB  and resid  154 and name HB2 ))
 ASSI {  350}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid   90 and name HB1 ))
      2.500     0.900     0.900 peak   350 weight  0.10000E+01 volume  0.22567E+01 ppm1      1.782 ppm2      1.560
 ASSI {  351}
   (( segid PTB  and resid   77 and name HG2 ))
   (( segid PTB  and resid   77 and name HB2 ))
      2.700     0.900     0.900 peak   351 weight  0.10000E+01 volume  0.13723E+01 ppm1      1.571 ppm2      1.893
 OR {  351}
   (( segid PTB  and resid   77 and name HG1 ))
   (( segid PTB  and resid   77 and name HB2 ))
 ASSI {  352}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  191 and name HB  ))
      2.700     0.900     0.900 peak   352 weight  0.10000E+01 volume  0.14530E+01 ppm1      0.310 ppm2      2.180
 ASSI {  389}
   (( segid PTB  and resid  134 and name HG1 ))
   (( segid PTB  and resid  134 and name HB2 ))
      1.900     0.700     0.700 peak   389 weight  0.10000E+01 volume  0.12222E+02 ppm1      2.386 ppm2      2.261
 OR {  389}
   (( segid PTB  and resid  134 and name HG2 ))
   (( segid PTB  and resid  134 and name HB2 ))
 OR {  389}
   (( segid PTB  and resid  134 and name HG2 ))
   (( segid PTB  and resid  134 and name HB1 ))
 OR {  389}
   (( segid PTB  and resid  134 and name HG1 ))
   (( segid PTB  and resid  134 and name HB1 ))
 ASSI {  404}
   (( segid PTB  and resid  107 and name HE1 ))
   (( segid PTB  and resid  107 and name HD1 ))
      2.400     0.800     0.800 peak   404 weight  0.10000E+01 volume  0.30074E+01 ppm1      2.938 ppm2      1.681
 ASSI {  405}
   (( segid PTB  and resid  185 and name HG1 ))
   (( segid PTB  and resid  185 and name HB2 ))
      2.100     0.700     0.700 peak   405 weight  0.10000E+01 volume  0.69158E+01 ppm1      2.489 ppm2      2.272
 OR {  405}
   (( segid PTB  and resid  185 and name HG2 ))
   (( segid PTB  and resid  185 and name HB1 ))
 OR {  405}
   (( segid PTB  and resid  185 and name HG1 ))
   (( segid PTB  and resid  185 and name HB1 ))
 OR {  405}
   (( segid PTB  and resid  185 and name HG2 ))
   (( segid PTB  and resid  185 and name HB2 ))
 ASSI {  408}
   (( segid PTB  and resid  107 and name HG2 ))
   (( segid PTB  and resid  107 and name HD1 ))
      2.200     0.800     0.800 peak   408 weight  0.10000E+01 volume  0.45853E+01 ppm1      1.338 ppm2      1.683
 OR {  408}
   (( segid PTB  and resid  107 and name HG1 ))
   (( segid PTB  and resid  107 and name HD1 ))
 ASSI {  438}
   (( segid PTB  and resid  107 and name HE2 ))
   (( segid PTB  and resid  107 and name HD1 ))
      2.500     0.900     0.900 peak   438 weight  0.10000E+01 volume  0.23725E+01 ppm1      2.874 ppm2      1.712
 ASSI {  477}
   (( segid PTB  and resid   67 and name HA  ))
   (( segid PTB  and resid   67 and name HB2 ))
      2.400     0.800     0.800 peak   477 weight  0.10000E+01 volume  0.25399E+01 ppm1      4.397 ppm2      3.058
 OR {  477}
   (( segid PTB  and resid   67 and name HA  ))
   (( segid PTB  and resid   67 and name HB1 ))
 ASSI {  485}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  202 and name HD1 ))
      2.100     0.700     0.700 peak   485 weight  0.10000E+01 volume  0.73784E+01 ppm1      2.011 ppm2      1.744
 OR {  485}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  485}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  202 and name HD2 ))
 OR {  485}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  202 and name HD2 ))
 ASSI {  486}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  110 and name HG2 ))
      2.400     0.800     0.800 peak   486 weight  0.10000E+01 volume  0.26527E+01 ppm1      1.870 ppm2      1.459
 OR {  486}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid  110 and name HG2 ))
 OR {  486}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid  110 and name HG1 ))
 OR {  486}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  110 and name HG1 ))
 ASSI {  488}
   (( segid PTB  and resid  202 and name HG1 ))
   (( segid PTB  and resid  202 and name HD2 ))
      1.900     0.700     0.700 peak   488 weight  0.10000E+01 volume  0.10197E+02 ppm1      1.549 ppm2      1.731
 OR {  488}
   (( segid PTB  and resid  202 and name HG2 ))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  488}
   (( segid PTB  and resid  202 and name HG2 ))
   (( segid PTB  and resid  202 and name HD2 ))
 OR {  488}
   (( segid PTB  and resid  202 and name HG1 ))
   (( segid PTB  and resid  202 and name HD1 ))
 ASSI {  490}
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
   (( segid PTB  and resid  202 and name HD1 ))
      2.600     0.900     0.900 peak   490 weight  0.10000E+01 volume  0.18754E+01 ppm1      0.947 ppm2      1.729
 OR {  490}
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
   (( segid PTB  and resid  202 and name HD2 ))
 OR {  490}
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
   (( segid PTB  and resid  202 and name HD1 ))
 OR {  490}
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
   (( segid PTB  and resid  202 and name HD2 ))
 ASSI {  523}
   (( segid PTB  and resid  113 and name HA  ))
   (( segid PTB  and resid  113 and name HB2 ))
      2.400     0.800     0.800 peak   523 weight  0.10000E+01 volume  0.25364E+01 ppm1      4.279 ppm2      2.036
 ASSI {  528}
   (( segid PTB  and resid  113 and name HB1 ))
   (( segid PTB  and resid  113 and name HB2 ))
      2.000     0.700     0.700 peak   528 weight  0.10000E+01 volume  0.75455E+01 ppm1      1.838 ppm2      2.034
 ASSI {  530}
   (( segid PTB  and resid  113 and name HG2 ))
   (( segid PTB  and resid  113 and name HB2 ))
      2.300     0.800     0.800 peak   530 weight  0.10000E+01 volume  0.34228E+01 ppm1      1.713 ppm2      2.018
 OR {  530}
   (( segid PTB  and resid  113 and name HG1 ))
   (( segid PTB  and resid  113 and name HB2 ))
 ASSI {  532}
   (( segid PTB  and resid   65 and name HG2 ))
   (( segid PTB  and resid   65 and name HD1 ))
      1.900     0.700     0.700 peak   532 weight  0.10000E+01 volume  0.10597E+02 ppm1      1.318 ppm2      1.577
 OR {  532}
   (( segid PTB  and resid   65 and name HG2 ))
   (( segid PTB  and resid   65 and name HD2 ))
 ASSI {  533}
   (( segid PTB  and resid   65 and name HG1 ))
   (( segid PTB  and resid   65 and name HD2 ))
      2.200     0.800     0.800 peak   533 weight  0.10000E+01 volume  0.43484E+01 ppm1      1.227 ppm2      1.564
 OR {  533}
   (( segid PTB  and resid   65 and name HG1 ))
   (( segid PTB  and resid   65 and name HD1 ))
 ASSI {  554}
   (( segid PTB  and resid   65 and name HE1 ))
   (( segid PTB  and resid   65 and name HD1 ))
      2.300     0.800     0.800 peak   554 weight  0.10000E+01 volume  0.37924E+01 ppm1      2.870 ppm2      1.599
 OR {  554}
   (( segid PTB  and resid   65 and name HE1 ))
   (( segid PTB  and resid   65 and name HD2 ))
 OR {  554}
   (( segid PTB  and resid   65 and name HE2 ))
   (( segid PTB  and resid   65 and name HD1 ))
 OR {  554}
   (( segid PTB  and resid   65 and name HE2 ))
   (( segid PTB  and resid   65 and name HD2 ))
 ASSI {  561}
   (( segid PTB  and resid  113 and name HG2 ))
   (( segid PTB  and resid  113 and name HB1 ))
      2.300     0.800     0.800 peak   561 weight  0.10000E+01 volume  0.35380E+01 ppm1      1.685 ppm2      1.844
 OR {  561}
   (( segid PTB  and resid  113 and name HG1 ))
   (( segid PTB  and resid  113 and name HB1 ))
 ASSI {  562}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  144 and name HG12))
      2.200     0.800     0.800 peak   562 weight  0.10000E+01 volume  0.51360E+01 ppm1      1.648 ppm2      1.403
 ASSI {  563}
   (( segid PTB  and resid  171 and name HG2 ))
   (( segid PTB  and resid   92 and name HB2 ))
      1.800     1.800     2.700 peak   563 weight  0.10000E+01 volume  0.14523E+02 ppm1      1.406 ppm2      1.703
 OR {  563}
   (( segid PTB  and resid  171 and name HG1 ))
   (( segid PTB  and resid   92 and name HB2 ))
 OR {  563}
   (( segid PTB  and resid  171 and name HG2 ))
   (( segid PTB  and resid   92 and name HB1 ))
 OR {  563}
   (( segid PTB  and resid  171 and name HG1 ))
   (( segid PTB  and resid   92 and name HB1 ))
 ASSI {  566}
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
   (( segid PTB  and resid  144 and name HG12))
      2.700     0.900     0.900 peak   566 weight  0.10000E+01 volume  0.15570E+01 ppm1      1.183 ppm2      1.394
 ASSI {  567}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  144 and name HG12))
      2.600     0.900     0.900 peak   567 weight  0.10000E+01 volume  0.17039E+01 ppm1      0.900 ppm2      1.375
 ASSI {  572}
   (( segid PTB  and resid  136 and name HA  ))
   (( segid PTB  and resid  136 and name HB1 ))
      2.700     0.900     0.900 peak   572 weight  0.10000E+01 volume  0.14022E+01 ppm1      4.130 ppm2      2.004
 ASSI {  573}
   (( segid PTB  and resid   68 and name HA  ))
   (( segid PTB  and resid   68 and name HB2 ))
      2.500     0.900     0.900 peak   573 weight  0.10000E+01 volume  0.21128E+01 ppm1      4.082 ppm2      1.895
 ASSI {  575}
   (( segid PTB  and resid  111 and name HG1 ))
   (( segid PTB  and resid  111 and name HB1 ))
      2.100     0.700     0.700 peak   575 weight  0.10000E+01 volume  0.62895E+01 ppm1      2.540 ppm2      2.230
 ASSI {  579}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  144 and name HG11))
      2.500     0.900     0.900 peak   579 weight  0.10000E+01 volume  0.20956E+01 ppm1      0.876 ppm2      1.650
 ASSI {  587}
   (( segid PTB  and resid  136 and name HE2 ))
   (( segid PTB  and resid  136 and name HD2 ))
      2.400     0.800     0.800 peak   587 weight  0.10000E+01 volume  0.30417E+01 ppm1      2.982 ppm2      1.680
 OR {  587}
   (( segid PTB  and resid  136 and name HE1 ))
   (( segid PTB  and resid  136 and name HD2 ))
 ASSI {  626}
   (( segid PTB  and resid  203 and name HA  ))
   (( segid PTB  and resid  203 and name HB2 ))
      2.400     0.800     0.800 peak   626 weight  0.10000E+01 volume  0.26386E+01 ppm1      4.191 ppm2      2.197
 OR {  626}
   (( segid PTB  and resid  203 and name HA  ))
   (( segid PTB  and resid  203 and name HB1 ))
 ASSI {  632}
   (( segid PTB  and resid  136 and name HG2 ))
   (( segid PTB  and resid  136 and name HD1 ))
      2.200     0.800     0.800 peak   632 weight  0.10000E+01 volume  0.42900E+01 ppm1      1.449 ppm2      1.569
 ASSI {  634}
   (( segid PTB  and resid  136 and name HG1 ))
   (( segid PTB  and resid  136 and name HD2 ))
      2.500     0.900     0.900 peak   634 weight  0.10000E+01 volume  0.22303E+01 ppm1      1.314 ppm2      1.712
 ASSI {  649}
   (( segid PTB  and resid  118 and name HA  ))
   (( segid PTB  and resid  118 and name HG2 ))
      2.500     0.900     0.900 peak   649 weight  0.10000E+01 volume  0.20918E+01 ppm1      4.987 ppm2      1.708
 OR {  649}
   (( segid PTB  and resid  118 and name HA  ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI {  654}
   (( segid PTB  and resid  180 and name HA  ))
   (( segid PTB  and resid  180 and name HB2 ))
      2.700     0.900     0.900 peak   654 weight  0.10000E+01 volume  0.15344E+01 ppm1      4.273 ppm2      3.197
 ASSI {  660}
   (( segid PTB  and resid  118 and name HD1 ))
   (( segid PTB  and resid  118 and name HG2 ))
      2.100     0.700     0.700 peak   660 weight  0.10000E+01 volume  0.62042E+01 ppm1      3.291 ppm2      1.709
 OR {  660}
   (( segid PTB  and resid  118 and name HD1 ))
   (( segid PTB  and resid  118 and name HG1 ))
 OR {  660}
   (( segid PTB  and resid  118 and name HD2 ))
   (( segid PTB  and resid  118 and name HG2 ))
 OR {  660}
   (( segid PTB  and resid  118 and name HD2 ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI {  661}
   (( segid PTB  and resid   69 and name HB2 ))
   (( segid PTB  and resid   69 and name HB1 ))
      2.500     0.900     0.900 peak   661 weight  0.10000E+01 volume  0.24453E+01 ppm1      3.223 ppm2      3.021
 ASSI {  663}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid  180 and name HB2 ))
      2.300     0.800     0.800 peak   663 weight  0.10000E+01 volume  0.40011E+01 ppm1      2.653 ppm2      3.210
 ASSI {  666}
   (( segid PTB  and resid  136 and name HG1 ))
   (( segid PTB  and resid  136 and name HD1 ))
      2.100     0.700     0.700 peak   666 weight  0.10000E+01 volume  0.62603E+01 ppm1      1.328 ppm2      1.575
 ASSI {  703}
   (( segid PTB  and resid  100 and name HA  ))
   (( segid PTB  and resid  100 and name HB1 ))
      2.300     0.800     0.800 peak   703 weight  0.10000E+01 volume  0.38880E+01 ppm1      4.168 ppm2      2.095
 ASSI {  704}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  201 and name HG1 ))
      2.600     0.900     0.900 peak   704 weight  0.10000E+01 volume  0.18903E+01 ppm1      4.143 ppm2      1.733
 OR {  704}
   (( segid PTB  and resid  201 and name HA  ))
   (( segid PTB  and resid  201 and name HG2 ))
 ASSI {  743}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid   81 and name HB1 ))
      2.600     0.900     0.900 peak   743 weight  0.10000E+01 volume  0.18085E+01 ppm1      2.211 ppm2      3.088
 ASSI {  748}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  139 and name HG11))
      2.500     0.900     0.900 peak   748 weight  0.10000E+01 volume  0.21602E+01 ppm1      1.786 ppm2      1.346
 OR {  748}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  139 and name HG12))
 ASSI {  781}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HG1 ))
      2.700     0.900     0.900 peak   781 weight  0.10000E+01 volume  0.14434E+01 ppm1      4.388 ppm2      1.718
 OR {  781}
   (( segid PTB  and resid  205 and name HA  ))
   (( segid PTB  and resid  205 and name HG2 ))
 ASSI {  793}
   (( segid PTB  and resid   66 and name HB1 ))
   (( segid PTB  and resid   66 and name HG1 ))
      2.300     0.800     0.800 peak   793 weight  0.10000E+01 volume  0.34634E+01 ppm1      2.160 ppm2      1.729
 OR {  793}
   (( segid PTB  and resid   66 and name HB1 ))
   (( segid PTB  and resid   66 and name HG2 ))
 ASSI {  794}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   81 and name HB2 ))
      2.600     2.600     1.900 peak   794 weight  0.10000E+01 volume  0.16044E+01 ppm1      2.106 ppm2      2.236
 ASSI {  802}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  139 and name HG12))
      2.600     0.900     0.900 peak   802 weight  0.10000E+01 volume  0.16662E+01 ppm1      1.068 ppm2      1.365
 OR {  802}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  139 and name HG11))
 ASSI {  803}
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
   (( segid PTB  and resid  139 and name HG12))
      2.400     0.800     0.800 peak   803 weight  0.10000E+01 volume  0.32355E+01 ppm1      0.991 ppm2      1.356
 OR {  803}
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
   (( segid PTB  and resid  139 and name HG11))
 ASSI {  834}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   66 and name HG1 ))
      2.600     2.600     1.900 peak   834 weight  0.10000E+01 volume  0.18587E+01 ppm1      4.466 ppm2      1.744
 OR {  834}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   66 and name HG2 ))
 ASSI {  838}
   (( segid PTB  and resid  114 and name HA  ))
   (( segid PTB  and resid  114 and name HG2 ))
      2.600     0.900     0.900 peak   838 weight  0.10000E+01 volume  0.19817E+01 ppm1      4.221 ppm2      1.581
 OR {  838}
   (( segid PTB  and resid  114 and name HA  ))
   (( segid PTB  and resid  114 and name HG1 ))
 ASSI {  846}
   (( segid PTB  and resid   66 and name HD1 ))
   (( segid PTB  and resid   66 and name HG1 ))
      2.600     0.900     0.900 peak   846 weight  0.10000E+01 volume  0.16746E+01 ppm1      3.650 ppm2      1.754
 OR {  846}
   (( segid PTB  and resid   66 and name HD1 ))
   (( segid PTB  and resid   66 and name HG2 ))
 OR {  846}
   (( segid PTB  and resid   66 and name HD2 ))
   (( segid PTB  and resid   66 and name HG1 ))
 OR {  846}
   (( segid PTB  and resid   66 and name HD2 ))
   (( segid PTB  and resid   66 and name HG2 ))
 ASSI {  847}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  114 and name HG1 ))
      2.000     0.700     0.700 peak   847 weight  0.10000E+01 volume  0.84680E+01 ppm1      3.188 ppm2      1.608
 OR {  847}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  114 and name HG1 ))
 OR {  847}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  114 and name HG2 ))
 OR {  847}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI {  848}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid  102 and name HB2 ))
      2.400     0.800     0.800 peak   848 weight  0.10000E+01 volume  0.28811E+01 ppm1      3.167 ppm2      3.014
 ASSI {  858}
   (( segid PTB  and resid  207 and name HB2 ))
   (( segid PTB  and resid  207 and name HG1 ))
      1.600     0.600     0.600 peak   858 weight  0.10000E+01 volume  0.36028E+02 ppm1      1.868 ppm2      1.647
 OR {  858}
   (( segid PTB  and resid  207 and name HB1 ))
   (( segid PTB  and resid  207 and name HG2 ))
 OR {  858}
   (( segid PTB  and resid  207 and name HB2 ))
   (( segid PTB  and resid  207 and name HG2 ))
 OR {  858}
   (( segid PTB  and resid  207 and name HB1 ))
   (( segid PTB  and resid  207 and name HG1 ))
 ASSI {  920}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  116 and name HG1 ))
      2.400     0.800     0.800 peak   920 weight  0.10000E+01 volume  0.30208E+01 ppm1      1.617 ppm2      1.969
 OR {  920}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  116 and name HG2 ))
 ASSI {  925}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  170 and name HG1 ))
      2.200     0.800     0.800 peak   925 weight  0.10000E+01 volume  0.54612E+01 ppm1      1.206 ppm2      1.487
 OR {  925}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  170 and name HG2 ))
 ASSI {  935}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  114 and name HG1 ))
      2.400     0.800     0.800 peak   935 weight  0.10000E+01 volume  0.31688E+01 ppm1      0.761 ppm2      1.572
 OR {  935}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI {  936}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid  116 and name HG2 ))
      2.400     0.800     0.800 peak   936 weight  0.10000E+01 volume  0.25963E+01 ppm1      0.636 ppm2      1.973
 ASSI {  969}
   (( segid PTB  and resid  170 and name HB2 ))
   (( segid PTB  and resid  170 and name HG2 ))
      2.500     0.900     0.900 peak   969 weight  0.10000E+01 volume  0.22645E+01 ppm1      1.897 ppm2      1.496
 OR {  969}
   (( segid PTB  and resid  170 and name HB2 ))
   (( segid PTB  and resid  170 and name HG1 ))
 OR {  969}
   (( segid PTB  and resid  170 and name HB1 ))
   (( segid PTB  and resid  170 and name HG2 ))
 OR {  969}
   (( segid PTB  and resid  170 and name HB1 ))
   (( segid PTB  and resid  170 and name HG1 ))
 ASSI {  974}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid  114 and name HG1 ))
      2.700     2.700     1.800 peak   974 weight  0.10000E+01 volume  0.15401E+01 ppm1      0.491 ppm2      1.603
 OR {  974}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI { 1048}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   86 and name HG2 ))
      2.700     0.900     0.900 peak  1048 weight  0.10000E+01 volume  0.13766E+01 ppm1      5.026 ppm2      1.216
 OR { 1048}
   (( segid PTB  and resid   86 and name HA  ))
   (( segid PTB  and resid   86 and name HG1 ))
 ASSI { 1052}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  193 and name HB2 ))
      2.400     0.800     0.800 peak  1052 weight  0.10000E+01 volume  0.32462E+01 ppm1      3.096 ppm2      2.571
 ASSI { 1077}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.700     0.900     0.900 peak  1077 weight  0.10000E+01 volume  0.14216E+01 ppm1      1.915 ppm2      0.593
 OR { 1077}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1085}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid   86 and name HG2 ))
      2.200     0.800     0.800 peak  1085 weight  0.10000E+01 volume  0.43507E+01 ppm1      1.507 ppm2      1.221
 OR { 1085}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid   86 and name HG1 ))
 ASSI { 1087}
   (( segid PTB  and resid  110 and name HG2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.200     2.200     2.300 peak  1087 weight  0.10000E+01 volume  0.42911E+01 ppm1      1.395 ppm2      0.590
 OR { 1087}
   (( segid PTB  and resid  110 and name HG1 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1090}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.500     0.900     0.900 peak  1090 weight  0.10000E+01 volume  0.22981E+01 ppm1      1.092 ppm2      0.495
 OR { 1090}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
 ASSI { 1091}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.400     0.800     0.800 peak  1091 weight  0.10000E+01 volume  0.28628E+01 ppm1      1.071 ppm2      0.585
 OR { 1091}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1094}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.300     0.800     0.800 peak  1094 weight  0.10000E+01 volume  0.38469E+01 ppm1      0.871 ppm2      0.567
 OR { 1094}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI { 1095}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.300     0.800     0.800 peak  1095 weight  0.10000E+01 volume  0.35788E+01 ppm1      0.863 ppm2      0.505
 ASSI { 1108}
   (( segid PTB  and resid  129 and name HD2 ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.600     0.900     0.900 peak  1108 weight  0.10000E+01 volume  0.18040E+01 ppm1      2.983 ppm2      0.850
 OR { 1108}
   (( segid PTB  and resid  129 and name HD1 ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
 ASSI { 1109}
   (( segid PTB  and resid   85 and name HB  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.600     0.900     0.900 peak  1109 weight  0.10000E+01 volume  0.15921E+01 ppm1      2.390 ppm2      0.131
 ASSI { 1110}
   (( segid PTB  and resid  141 and name HB2 ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.400     0.800     0.800 peak  1110 weight  0.10000E+01 volume  0.26359E+01 ppm1      2.308 ppm2      0.862
 ASSI { 1114}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.200     0.800     0.800 peak  1114 weight  0.10000E+01 volume  0.44288E+01 ppm1      1.621 ppm2      0.132
 ASSI { 1117}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.200     0.800     0.800 peak  1117 weight  0.10000E+01 volume  0.50372E+01 ppm1      0.953 ppm2      0.135
 OR { 1117}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
 ASSI { 1122}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.100     2.100     2.400 peak  1122 weight  0.10000E+01 volume  0.73523E+01 ppm1      0.267 ppm2      0.139
 ASSI { 1124}
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.000     0.700     0.700 peak  1124 weight  0.10000E+01 volume  0.77821E+01 ppm1     -0.081 ppm2      0.137
 ASSI { 1128}
   (( segid PTB  and resid  162 and name HD1 )
     OR 
    ( segid PTB  and resid  162 and name HD2 ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.600     0.900     0.900 peak  1128 weight  0.10000E+01 volume  0.18222E+01 ppm1      6.922 ppm2      0.298
 ASSI { 1134}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.600     2.600     1.900 peak  1134 weight  0.10000E+01 volume  0.17694E+01 ppm1      1.681 ppm2      0.301
 ASSI { 1136}
   (( segid PTB  and resid  128 and name HG  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.400     0.800     0.800 peak  1136 weight  0.10000E+01 volume  0.26844E+01 ppm1      1.536 ppm2      0.295
 OR { 1136}
   (( segid PTB  and resid  128 and name HB2 ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
 ASSI { 1140}
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.500     2.500     2.000 peak  1140 weight  0.10000E+01 volume  0.22430E+01 ppm1      1.162 ppm2      0.292
 ASSI { 1141}
   (( segid PTB  and resid   97 and name HB1 ))
   (( segid PTB  and resid   97 and name HG1 ))
      2.500     0.900     0.900 peak  1141 weight  0.10000E+01 volume  0.20316E+01 ppm1      1.105 ppm2      1.357
 OR { 1141}
   (( segid PTB  and resid   97 and name HB1 ))
   (( segid PTB  and resid   97 and name HG2 ))
 ASSI { 1142}
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.300     0.800     0.800 peak  1142 weight  0.10000E+01 volume  0.32963E+01 ppm1      0.928 ppm2      0.299
 ASSI { 1144}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.000     0.700     0.700 peak  1144 weight  0.10000E+01 volume  0.80175E+01 ppm1      0.792 ppm2      0.298
 ASSI { 1145}
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.400     0.800     0.800 peak  1145 weight  0.10000E+01 volume  0.27320E+01 ppm1      0.666 ppm2      0.300
 ASSI { 1147}
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
   (( segid PTB  and resid  178 and name HD11)
     OR 
    ( segid PTB  and resid  178 and name HD13)
     OR 
    ( segid PTB  and resid  178 and name HD12))
      1.900     0.700     0.700 peak  1147 weight  0.10000E+01 volume  0.10491E+02 ppm1      0.592 ppm2      0.827
 ASSI { 1153}
   (( segid PTB  and resid  162 and name HE1 )
     OR 
    ( segid PTB  and resid  162 and name HE2 ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.700     0.900     0.900 peak  1153 weight  0.10000E+01 volume  0.15234E+01 ppm1      6.650 ppm2      0.308
 ASSI { 1161}
   (( segid PTB  and resid  202 and name HE2 ))
   (( segid PTB  and resid  202 and name HG2 ))
      2.700     0.900     0.900 peak  1161 weight  0.10000E+01 volume  0.15171E+01 ppm1      3.027 ppm2      1.543
 OR { 1161}
   (( segid PTB  and resid  202 and name HE1 ))
   (( segid PTB  and resid  202 and name HG2 ))
 OR { 1161}
   (( segid PTB  and resid  202 and name HE1 ))
   (( segid PTB  and resid  202 and name HG1 ))
 OR { 1161}
   (( segid PTB  and resid  202 and name HE2 ))
   (( segid PTB  and resid  202 and name HG1 ))
 ASSI { 1165}
   (( segid PTB  and resid  107 and name HB2 ))
   (( segid PTB  and resid  107 and name HG1 ))
      2.500     0.900     0.900 peak  1165 weight  0.10000E+01 volume  0.24624E+01 ppm1      1.958 ppm2      1.340
 OR { 1165}
   (( segid PTB  and resid  107 and name HB1 ))
   (( segid PTB  and resid  107 and name HG1 ))
 OR { 1165}
   (( segid PTB  and resid  107 and name HB2 ))
   (( segid PTB  and resid  107 and name HG2 ))
 ASSI { 1166}
   (( segid PTB  and resid  121 and name HB1 ))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
      2.600     0.900     0.900 peak  1166 weight  0.10000E+01 volume  0.18111E+01 ppm1      1.842 ppm2      0.139
 OR { 1166}
   (( segid PTB  and resid  121 and name HB2 ))
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
 ASSI { 1172}
   (( segid PTB  and resid  187 and name HG  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.400     0.800     0.800 peak  1172 weight  0.10000E+01 volume  0.31559E+01 ppm1      1.298 ppm2      0.141
 ASSI { 1174}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
      2.600     2.600     1.900 peak  1174 weight  0.10000E+01 volume  0.19206E+01 ppm1      1.109 ppm2      0.856
 OR { 1174}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
 OR { 1174}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 OR { 1174}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1188}
   (( segid PTB  and resid  165 and name HA  ))
   (( segid PTB  and resid  165 and name HG1 ))
      2.500     0.900     0.900 peak  1188 weight  0.10000E+01 volume  0.20513E+01 ppm1      4.276 ppm2      0.948
 OR { 1188}
   (( segid PTB  and resid  165 and name HA  ))
   (( segid PTB  and resid  165 and name HG2 ))
 ASSI { 1189}
   (( segid PTB  and resid  202 and name HA  ))
   (( segid PTB  and resid  202 and name HG1 ))
      2.700     0.900     0.900 peak  1189 weight  0.10000E+01 volume  0.13222E+01 ppm1      4.210 ppm2      1.537
 OR { 1189}
   (( segid PTB  and resid  202 and name HA  ))
   (( segid PTB  and resid  202 and name HG2 ))
 ASSI { 1218}
   (( segid PTB  and resid  199 and name HG  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.200     0.800     0.800 peak  1218 weight  0.10000E+01 volume  0.51741E+01 ppm1      1.847 ppm2      0.948
 ASSI { 1219}
   (( segid PTB  and resid  136 and name HD2 ))
   (( segid PTB  and resid  136 and name HG2 ))
      1.800     0.600     0.600 peak  1219 weight  0.10000E+01 volume  0.17178E+02 ppm1      1.703 ppm2      1.455
 ASSI { 1220}
   (( segid PTB  and resid  199 and name HB1 ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.400     0.800     0.800 peak  1220 weight  0.10000E+01 volume  0.27835E+01 ppm1      1.663 ppm2      0.950
 OR { 1220}
   (( segid PTB  and resid  199 and name HB2 ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
 ASSI { 1221}
   (( segid GPPY and resid 3    and name HG11))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.400     0.800     0.800 peak  1221 weight  0.10000E+01 volume  0.27811E+01 ppm1      1.418 ppm2      0.944
 ASSI { 1243}
   (( segid PTB  and resid   65 and name HE2 ))
   (( segid PTB  and resid   65 and name HG1 ))
      2.600     0.900     0.900 peak  1243 weight  0.10000E+01 volume  0.16717E+01 ppm1      2.870 ppm2      1.213
 OR { 1243}
   (( segid PTB  and resid   65 and name HE1 ))
   (( segid PTB  and resid   65 and name HG1 ))
 ASSI { 1264}
   (( segid PTB  and resid  138 and name HA  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.200     0.800     0.800 peak  1264 weight  0.10000E+01 volume  0.44590E+01 ppm1      4.558 ppm2      0.866
 ASSI { 1268}
   (( segid PTB  and resid  141 and name HB2 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.600     0.900     0.900 peak  1268 weight  0.10000E+01 volume  0.17762E+01 ppm1      2.301 ppm2      0.861
 ASSI { 1269}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  181 and name HG1 ))
      2.300     0.800     0.800 peak  1269 weight  0.10000E+01 volume  0.35031E+01 ppm1      1.858 ppm2      1.410
 OR { 1269}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 1287}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   65 and name HG2 ))
      2.700     0.900     0.900 peak  1287 weight  0.10000E+01 volume  0.13795E+01 ppm1      4.422 ppm2      1.344
 ASSI { 1303}
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.600     2.600     1.900 peak  1303 weight  0.10000E+01 volume  0.16953E+01 ppm1      7.075 ppm2      0.309
 OR { 1303}
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
 ASSI { 1306}
   (( segid PTB  and resid  191 and name HA  ))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.600     0.900     0.900 peak  1306 weight  0.10000E+01 volume  0.18274E+01 ppm1      3.004 ppm2      0.297
 ASSI { 1309}
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.300     0.800     0.800 peak  1309 weight  0.10000E+01 volume  0.35225E+01 ppm1      0.938 ppm2      1.387
 ASSI { 1323}
   (( segid PTB  and resid  121 and name HN  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.700     0.900     0.900 peak  1323 weight  0.10000E+01 volume  0.13492E+01 ppm1      9.098 ppm2      0.762
 ASSI { 1326}
   (( segid PTB  and resid  120 and name HA  ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.200     0.800     0.800 peak  1326 weight  0.10000E+01 volume  0.51839E+01 ppm1      5.215 ppm2      0.759
 ASSI { 1329}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.400     0.800     0.800 peak  1329 weight  0.10000E+01 volume  0.30060E+01 ppm1      3.985 ppm2      0.757
 OR { 1329}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 ASSI { 1338}
   (( segid PTB  and resid  120 and name HB1 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.100     0.700     0.700 peak  1338 weight  0.10000E+01 volume  0.71147E+01 ppm1      1.576 ppm2      0.760
 OR { 1338}
   (( segid PTB  and resid  120 and name HB2 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
 ASSI { 1359}
   (( segid PTB  and resid   93 and name HA  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.300     0.800     0.800 peak  1359 weight  0.10000E+01 volume  0.37874E+01 ppm1      4.430 ppm2      0.821
 ASSI { 1361}
   (( segid PTB  and resid  191 and name HA  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.400     0.800     0.800 peak  1361 weight  0.10000E+01 volume  0.25555E+01 ppm1      3.008 ppm2      0.707
 ASSI { 1365}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.200     0.800     0.800 peak  1365 weight  0.10000E+01 volume  0.43341E+01 ppm1      2.237 ppm2      0.822
 ASSI { 1367}
   (( segid PTB  and resid  191 and name HB  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.400     0.800     0.800 peak  1367 weight  0.10000E+01 volume  0.31185E+01 ppm1      2.153 ppm2      0.700
 ASSI { 1368}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.200     0.800     0.800 peak  1368 weight  0.10000E+01 volume  0.53066E+01 ppm1      1.336 ppm2      0.819
 ASSI { 1371}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.100     0.700     0.700 peak  1371 weight  0.10000E+01 volume  0.57359E+01 ppm1      0.920 ppm2      0.787
 ASSI { 1390}
   (( segid PTB  and resid   76 and name HA  ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.300     0.800     0.800 peak  1390 weight  0.10000E+01 volume  0.40555E+01 ppm1      3.725 ppm2      1.008
 ASSI { 1392}
   (( segid PTB  and resid  174 and name HB2 ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.700     0.900     0.900 peak  1392 weight  0.10000E+01 volume  0.14866E+01 ppm1      2.488 ppm2      0.822
 ASSI { 1410}
   (( segid PTB  and resid  204 and name HA  ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.300     0.800     0.800 peak  1410 weight  0.10000E+01 volume  0.38035E+01 ppm1      4.284 ppm2      0.953
 ASSI { 1411}
   (( segid PTB  and resid  202 and name HA  ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.100     0.700     0.700 peak  1411 weight  0.10000E+01 volume  0.59089E+01 ppm1      4.124 ppm2      0.951
 ASSI { 1414}
   (( segid PTB  and resid  125 and name HA1 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.100     2.100     2.400 peak  1414 weight  0.10000E+01 volume  0.67173E+01 ppm1      3.643 ppm2      1.026
 ASSI { 1415}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.100     0.700     0.700 peak  1415 weight  0.10000E+01 volume  0.70910E+01 ppm1      2.170 ppm2      1.021
 ASSI { 1417}
   (( segid PTB  and resid  199 and name HG  ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.100     0.700     0.700 peak  1417 weight  0.10000E+01 volume  0.67340E+01 ppm1      1.843 ppm2      0.955
 ASSI { 1419}
   (( segid PTB  and resid  199 and name HB2 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
      2.300     0.800     0.800 peak  1419 weight  0.10000E+01 volume  0.41389E+01 ppm1      1.655 ppm2      0.952
 OR { 1419}
   (( segid PTB  and resid  199 and name HB1 ))
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
 ASSI { 1421}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.400     0.800     0.800 peak  1421 weight  0.10000E+01 volume  0.31291E+01 ppm1      1.264 ppm2      1.021
 ASSI { 1442}
   (( segid PTB  and resid  121 and name HA  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.400     0.800     0.800 peak  1442 weight  0.10000E+01 volume  0.29379E+01 ppm1      5.124 ppm2      0.653
 ASSI { 1443}
   (( segid PTB  and resid  178 and name HA  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      2.300     0.800     0.800 peak  1443 weight  0.10000E+01 volume  0.41800E+01 ppm1      4.969 ppm2      0.587
 ASSI { 1445}
   (( segid PTB  and resid  144 and name HA  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      2.400     0.800     0.800 peak  1445 weight  0.10000E+01 volume  0.26209E+01 ppm1      3.951 ppm2      0.941
 ASSI { 1448}
   (( segid PTB  and resid  147 and name HB  ))
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
      2.400     0.800     0.800 peak  1448 weight  0.10000E+01 volume  0.27515E+01 ppm1      2.446 ppm2      0.944
 ASSI { 1458}
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.100     0.700     0.700 peak  1458 weight  0.10000E+01 volume  0.66481E+01 ppm1      0.148 ppm2      0.652
 ASSI { 1476}
   (( segid PTB  and resid  109 and name HA  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.100     0.700     0.700 peak  1476 weight  0.10000E+01 volume  0.60565E+01 ppm1      3.862 ppm2      0.426
 ASSI { 1479}
   (( segid PTB  and resid  114 and name HG1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.200     0.800     0.800 peak  1479 weight  0.10000E+01 volume  0.47070E+01 ppm1      1.606 ppm2      0.426
 OR { 1479}
   (( segid PTB  and resid  114 and name HG2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1480}
   (( segid PTB  and resid  178 and name HG  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      2.300     0.800     0.800 peak  1480 weight  0.10000E+01 volume  0.40582E+01 ppm1      1.543 ppm2      0.593
 OR { 1480}
   (( segid PTB  and resid  178 and name HB2 ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
 ASSI { 1482}
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
   (( segid PTB  and resid  135 and name HB  ))
      2.000     0.700     0.700 peak  1482 weight  0.10000E+01 volume  0.78582E+01 ppm1      1.261 ppm2      4.392
 ASSI { 1483}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.500     0.900     0.900 peak  1483 weight  0.10000E+01 volume  0.24087E+01 ppm1      1.094 ppm2      0.426
 OR { 1483}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1486}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.200     0.800     0.800 peak  1486 weight  0.10000E+01 volume  0.54217E+01 ppm1      0.806 ppm2      0.424
 ASSI { 1498}
   (( segid PTB  and resid  169 and name HA  ))
   (( segid PTB  and resid  169 and name HB  ))
      2.100     2.100     2.400 peak  1498 weight  0.10000E+01 volume  0.63485E+01 ppm1      4.415 ppm2      4.278
 ASSI { 1499}
   (( segid PTB  and resid  123 and name HA  ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.600     2.600     1.900 peak  1499 weight  0.10000E+01 volume  0.19013E+01 ppm1      4.334 ppm2      0.614
 ASSI { 1502}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.500     2.500     2.000 peak  1502 weight  0.10000E+01 volume  0.20144E+01 ppm1      1.964 ppm2      0.430
 ASSI { 1503}
   (( segid PTB  and resid  123 and name HB  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      2.300     0.800     0.800 peak  1503 weight  0.10000E+01 volume  0.32896E+01 ppm1      1.827 ppm2      0.611
 ASSI { 1506}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  169 and name HB  ))
      2.100     0.700     0.700 peak  1506 weight  0.10000E+01 volume  0.69939E+01 ppm1      1.200 ppm2      4.277
 ASSI { 1520}
   (( segid PTB  and resid  151 and name HA  ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.400     0.800     0.800 peak  1520 weight  0.10000E+01 volume  0.27241E+01 ppm1      4.952 ppm2      1.574
 ASSI { 1525}
   (( segid GPPY and resid 5    and name HD1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.500     0.900     0.900 peak  1525 weight  0.10000E+01 volume  0.22858E+01 ppm1      3.488 ppm2      1.577
 ASSI { 1527}
   (( segid PTB  and resid  191 and name HA  ))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      2.500     0.900     0.900 peak  1527 weight  0.10000E+01 volume  0.19992E+01 ppm1      3.004 ppm2      0.617
 ASSI { 1528}
   (( segid PTB  and resid   99 and name HG1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.600     0.900     0.900 peak  1528 weight  0.10000E+01 volume  0.16923E+01 ppm1      2.667 ppm2      1.571
 ASSI { 1530}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.100     0.700     0.700 peak  1530 weight  0.10000E+01 volume  0.73555E+01 ppm1      2.292 ppm2      1.096
 ASSI { 1543}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      1.800     0.600     0.600 peak  1543 weight  0.10000E+01 volume  0.17058E+02 ppm1      0.937 ppm2      1.095
 ASSI { 1556}
   (( segid PTB  and resid   85 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.400     0.800     0.800 peak  1556 weight  0.10000E+01 volume  0.27075E+01 ppm1      5.478 ppm2      0.950
 ASSI { 1558}
   (( segid PTB  and resid  179 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.500     0.900     0.900 peak  1558 weight  0.10000E+01 volume  0.22271E+01 ppm1      4.615 ppm2      0.944
 ASSI { 1559}
   (( segid PTB  and resid   98 and name HA2 ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      2.700     0.900     0.900 peak  1559 weight  0.10000E+01 volume  0.14216E+01 ppm1      4.331 ppm2      0.861
 ASSI { 1560}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.400     0.800     0.800 peak  1560 weight  0.10000E+01 volume  0.28445E+01 ppm1      4.065 ppm2      1.092
 ASSI { 1562}
   (( segid PTB  and resid   85 and name HB  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.400     0.800     0.800 peak  1562 weight  0.10000E+01 volume  0.30901E+01 ppm1      2.402 ppm2      0.953
 ASSI { 1564}
   (( segid PTB  and resid  101 and name HB  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      2.000     0.700     0.700 peak  1564 weight  0.10000E+01 volume  0.74967E+01 ppm1      1.982 ppm2      0.876
 ASSI { 1565}
   (( segid PTB  and resid   95 and name HB1 ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      2.300     0.800     0.800 peak  1565 weight  0.10000E+01 volume  0.36905E+01 ppm1      1.663 ppm2      0.883
 ASSI { 1567}
   (( segid PTB  and resid   86 and name HG1 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.700     2.700     1.800 peak  1567 weight  0.10000E+01 volume  0.13544E+01 ppm1      1.237 ppm2      0.903
 OR { 1567}
   (( segid PTB  and resid   86 and name HG2 ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
 ASSI { 1572}
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.100     0.700     0.700 peak  1572 weight  0.10000E+01 volume  0.56314E+01 ppm1      0.140 ppm2      0.949
 ASSI { 1586}
   (( segid PTB  and resid   86 and name HN  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.700     0.900     0.900 peak  1586 weight  0.10000E+01 volume  0.13407E+01 ppm1      9.199 ppm2      0.956
 ASSI { 1616}
   (( segid PTB  and resid  130 and name HA  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.500     0.900     0.900 peak  1616 weight  0.10000E+01 volume  0.24279E+01 ppm1      5.386 ppm2      0.910
 ASSI { 1621}
   (( segid PTB  and resid  197 and name HA  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.100     0.700     0.700 peak  1621 weight  0.10000E+01 volume  0.64383E+01 ppm1      3.642 ppm2      1.030
 ASSI { 1624}
   (( segid PTB  and resid  116 and name HB1 ))
   (( segid PTB  and resid   88 and name HG  ))
      2.700     0.900     0.900 peak  1624 weight  0.10000E+01 volume  0.13407E+01 ppm1      2.000 ppm2      1.034
 OR { 1624}
   (( segid PTB  and resid  116 and name HG2 ))
   (( segid PTB  and resid   88 and name HG  ))
 ASSI { 1626}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.400     0.800     0.800 peak  1626 weight  0.10000E+01 volume  0.28132E+01 ppm1      1.567 ppm2      0.900
 ASSI { 1628}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      1.900     0.700     0.700 peak  1628 weight  0.10000E+01 volume  0.11610E+02 ppm1      0.646 ppm2      0.910
 ASSI { 1629}
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
   (( segid PTB  and resid   88 and name HG  ))
      2.700     0.900     0.900 peak  1629 weight  0.10000E+01 volume  0.15074E+01 ppm1      0.581 ppm2      1.021
 OR { 1629}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid   88 and name HG  ))
 ASSI { 1660}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid   88 and name HG  ))
      2.500     0.900     0.900 peak  1660 weight  0.10000E+01 volume  0.24100E+01 ppm1      3.990 ppm2      1.020
 ASSI { 1662}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.200     0.800     0.800 peak  1662 weight  0.10000E+01 volume  0.54703E+01 ppm1      2.168 ppm2      1.026
 ASSI { 1664}
   (( segid PTB  and resid   77 and name HG1 ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.600     0.900     0.900 peak  1664 weight  0.10000E+01 volume  0.15982E+01 ppm1      1.488 ppm2      1.027
 OR { 1664}
   (( segid PTB  and resid   77 and name HG2 ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
 ASSI { 1699}
   (( segid PTB  and resid  126 and name HA  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.600     2.600     1.900 peak  1699 weight  0.10000E+01 volume  0.16926E+01 ppm1      4.791 ppm2      1.352
 ASSI { 1701}
   (( segid PTB  and resid   80 and name HA  ))
   (( segid PTB  and resid   80 and name HB  ))
      2.200     0.800     0.800 peak  1701 weight  0.10000E+01 volume  0.50126E+01 ppm1      4.547 ppm2      4.321
 ASSI { 1706}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.100     0.700     0.700 peak  1706 weight  0.10000E+01 volume  0.60734E+01 ppm1      4.009 ppm2      0.634
 ASSI { 1709}
   (( segid PTB  and resid  145 and name HG1 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.700     0.900     0.900 peak  1709 weight  0.10000E+01 volume  0.13164E+01 ppm1      2.341 ppm2      1.378
 ASSI { 1711}
   (( segid PTB  and resid  116 and name HB1 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.200     0.800     0.800 peak  1711 weight  0.10000E+01 volume  0.49397E+01 ppm1      1.987 ppm2      0.636
 OR { 1711}
   (( segid PTB  and resid  116 and name HG2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1714}
   (( segid PTB  and resid   88 and name HB2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.200     0.800     0.800 peak  1714 weight  0.10000E+01 volume  0.52304E+01 ppm1      1.381 ppm2      0.634
 OR { 1714}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1716}
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
   (( segid PTB  and resid  206 and name HB  ))
      2.100     0.700     0.700 peak  1716 weight  0.10000E+01 volume  0.57146E+01 ppm1      1.255 ppm2      4.277
 ASSI { 1720}
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
   (( segid PTB  and resid   80 and name HB  ))
      2.000     0.700     0.700 peak  1720 weight  0.10000E+01 volume  0.75352E+01 ppm1      1.086 ppm2      4.339
 ASSI { 1721}
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      2.100     0.700     0.700 peak  1721 weight  0.10000E+01 volume  0.64390E+01 ppm1      0.794 ppm2      1.247
 ASSI { 1747}
   (( segid PTB  and resid   80 and name HA  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.000     2.000     2.500 peak  1747 weight  0.10000E+01 volume  0.85244E+01 ppm1      4.549 ppm2      1.085
 ASSI { 1749}
   (( segid PTB  and resid  143 and name HB  ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.000     0.700     0.700 peak  1749 weight  0.10000E+01 volume  0.85788E+01 ppm1      4.408 ppm2      1.374
 ASSI { 1751}
   (( segid PTB  and resid   75 and name HA  ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.600     0.900     0.900 peak  1751 weight  0.10000E+01 volume  0.19377E+01 ppm1      4.098 ppm2      1.084
 ASSI { 1754}
   (( segid PTB  and resid   78 and name HB2 ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.600     0.900     0.900 peak  1754 weight  0.10000E+01 volume  0.16271E+01 ppm1      3.922 ppm2      1.085
 ASSI { 1761}
   (( segid PTB  and resid  204 and name HB2 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
      2.500     0.900     0.900 peak  1761 weight  0.10000E+01 volume  0.23682E+01 ppm1      1.944 ppm2      1.253
 OR { 1761}
   (( segid PTB  and resid  204 and name HB1 ))
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
 ASSI { 1763}
   (( segid PTB  and resid  173 and name HB1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.400     0.800     0.800 peak  1763 weight  0.10000E+01 volume  0.30258E+01 ppm1      1.648 ppm2      1.193
 OR { 1763}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 ASSI { 1766}
   (( segid PTB  and resid  146 and name HB2 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.500     0.900     0.900 peak  1766 weight  0.10000E+01 volume  0.21390E+01 ppm1      1.510 ppm2      1.372
 OR { 1766}
   (( segid PTB  and resid  146 and name HB1 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
 ASSI { 1776}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.300     0.800     0.800 peak  1776 weight  0.10000E+01 volume  0.35122E+01 ppm1      0.869 ppm2      1.168
 ASSI { 1790}
   (( segid PTB  and resid  122 and name HD2 ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.200     0.800     0.800 peak  1790 weight  0.10000E+01 volume  0.43286E+01 ppm1      6.713 ppm2      0.909
 ASSI { 1794}
   (( segid PTB  and resid  138 and name HA  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.600     2.600     1.900 peak  1794 weight  0.10000E+01 volume  0.19560E+01 ppm1      4.566 ppm2      0.913
 ASSI { 1795}
   (( segid PTB  and resid  135 and name HB  ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      1.700     0.600     0.600 peak  1795 weight  0.10000E+01 volume  0.20668E+02 ppm1      4.392 ppm2      1.254
 OR { 1795}
   (( segid PTB  and resid  135 and name HA  ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
 ASSI { 1797}
   (( segid PTB  and resid  108 and name HA  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.200     0.800     0.800 peak  1797 weight  0.10000E+01 volume  0.43826E+01 ppm1      3.662 ppm2      0.940
 ASSI { 1798}
   (( segid PTB  and resid  134 and name HG1 ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      2.600     0.900     0.900 peak  1798 weight  0.10000E+01 volume  0.16995E+01 ppm1      2.417 ppm2      1.275
 OR { 1798}
   (( segid PTB  and resid  134 and name HG2 ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
 ASSI { 1799}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.000     0.700     0.700 peak  1799 weight  0.10000E+01 volume  0.88452E+01 ppm1      2.293 ppm2      0.942
 ASSI { 1800}
   (( segid PTB  and resid  134 and name HB2 ))
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
      2.200     0.800     0.800 peak  1800 weight  0.10000E+01 volume  0.46689E+01 ppm1      2.272 ppm2      1.258
 ASSI { 1815}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.500     2.500     2.000 peak  1815 weight  0.10000E+01 volume  0.25123E+01 ppm1      0.474 ppm2      0.926
 ASSI { 1843}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.600     2.600     1.900 peak  1843 weight  0.10000E+01 volume  0.16973E+01 ppm1      8.889 ppm2      0.820
 ASSI { 1851}
   (( segid PTB  and resid  140 and name HA  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.200     0.800     0.800 peak  1851 weight  0.10000E+01 volume  0.44780E+01 ppm1      4.094 ppm2      0.610
 ASSI { 1867}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.700     0.900     0.900 peak  1867 weight  0.10000E+01 volume  0.14129E+01 ppm1      2.978 ppm2      1.055
 ASSI { 1869}
   (( segid PTB  and resid  132 and name HB2 ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.600     0.900     0.900 peak  1869 weight  0.10000E+01 volume  0.18030E+01 ppm1      2.620 ppm2      1.054
 ASSI { 1870}
   (( segid PTB  and resid  117 and name HB  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.100     0.700     0.700 peak  1870 weight  0.10000E+01 volume  0.60178E+01 ppm1      2.179 ppm2      1.056
 ASSI { 1873}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.400     0.800     0.800 peak  1873 weight  0.10000E+01 volume  0.28318E+01 ppm1      1.751 ppm2      0.603
 ASSI { 1876}
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      1.700     0.600     0.600 peak  1876 weight  0.10000E+01 volume  0.20108E+02 ppm1      1.166 ppm2      1.053
 ASSI { 1880}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.100     0.700     0.700 peak  1880 weight  0.10000E+01 volume  0.62362E+01 ppm1      0.872 ppm2      1.063
 ASSI { 1882}
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      1.800     0.600     0.600 peak  1882 weight  0.10000E+01 volume  0.15845E+02 ppm1      0.611 ppm2      0.827
 ASSI { 1899}
   (( segid PTB  and resid  175 and name HE1 ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.700     0.900     0.900 peak  1899 weight  0.10000E+01 volume  0.13025E+01 ppm1      6.650 ppm2      0.826
 ASSI { 1908}
   (( segid PTB  and resid  101 and name HA  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.300     0.800     0.800 peak  1908 weight  0.10000E+01 volume  0.34831E+01 ppm1      3.628 ppm2      0.835
 ASSI { 1912}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.200     0.800     0.800 peak  1912 weight  0.10000E+01 volume  0.51333E+01 ppm1      2.237 ppm2      0.829
 ASSI { 1917}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.100     0.700     0.700 peak  1917 weight  0.10000E+01 volume  0.62269E+01 ppm1      1.574 ppm2      0.820
 ASSI { 1918}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.300     0.800     0.800 peak  1918 weight  0.10000E+01 volume  0.37384E+01 ppm1      1.285 ppm2      0.822
 ASSI { 1919}
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
   (( segid PTB  and resid  168 and name HB  ))
      1.900     0.700     0.700 peak  1919 weight  0.10000E+01 volume  0.10522E+02 ppm1      1.252 ppm2      4.351
 ASSI { 1941}
   (( segid PTB  and resid  104 and name HG1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.600     0.900     0.900 peak  1941 weight  0.10000E+01 volume  0.17805E+01 ppm1      2.404 ppm2      0.820
 OR { 1941}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1950}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.400     0.800     0.800 peak  1950 weight  0.10000E+01 volume  0.31640E+01 ppm1      0.495 ppm2      0.804
 ASSI { 1951}
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      2.200     0.800     0.800 peak  1951 weight  0.10000E+01 volume  0.55102E+01 ppm1      0.425 ppm2      0.809
 OR { 1951}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
 ASSI { 1981}
   (( segid PTB  and resid  130 and name HA  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.400     0.800     0.800 peak  1981 weight  0.10000E+01 volume  0.29668E+01 ppm1      5.363 ppm2      0.641
 ASSI { 1983}
   (( segid PTB  and resid  131 and name HA  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      2.300     0.800     0.800 peak  1983 weight  0.10000E+01 volume  0.38422E+01 ppm1      4.879 ppm2      0.814
 ASSI { 1992}
   (( segid PTB  and resid  117 and name HB  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.200     2.200     2.300 peak  1992 weight  0.10000E+01 volume  0.47712E+01 ppm1      2.133 ppm2      0.590
 ASSI { 2019}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.600     0.900     0.900 peak  2019 weight  0.10000E+01 volume  0.18568E+01 ppm1      8.386 ppm2      0.926
 ASSI { 2027}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.700     0.900     0.900 peak  2027 weight  0.10000E+01 volume  0.15539E+01 ppm1      4.060 ppm2      0.923
 ASSI { 2030}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.700     0.900     0.900 peak  2030 weight  0.10000E+01 volume  0.13046E+01 ppm1      2.278 ppm2      0.930
 ASSI { 2031}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.100     0.700     0.700 peak  2031 weight  0.10000E+01 volume  0.73358E+01 ppm1      1.959 ppm2      0.933
 ASSI { 2033}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.200     2.200     2.300 peak  2033 weight  0.10000E+01 volume  0.42480E+01 ppm1      1.770 ppm2      0.651
 ASSI { 2034}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.300     0.800     0.800 peak  2034 weight  0.10000E+01 volume  0.39752E+01 ppm1      1.731 ppm2      0.647
 ASSI { 2040}
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.100     0.700     0.700 peak  2040 weight  0.10000E+01 volume  0.57060E+01 ppm1      1.342 ppm2      0.928
 ASSI { 2069}
   (( segid PTB  and resid  162 and name HE1 )
     OR 
    ( segid PTB  and resid  162 and name HE2 ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.500     2.500     2.000 peak  2069 weight  0.10000E+01 volume  0.24547E+01 ppm1      6.665 ppm2      0.702
 ASSI { 2076}
   (( segid PTB  and resid  123 and name HB  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.300     0.800     0.800 peak  2076 weight  0.10000E+01 volume  0.35932E+01 ppm1      1.842 ppm2      0.707
 ASSI { 2082}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.700     0.900     0.900 peak  2082 weight  0.10000E+01 volume  0.13052E+01 ppm1      1.213 ppm2      0.698
 ASSI { 2144}
   (( segid PTB  and resid  161 and name HA  ))
   (( segid PTB  and resid  161 and name HB2 ))
      2.700     0.900     0.900 peak  2144 weight  0.10000E+01 volume  0.14169E+01 ppm1      5.380 ppm2      3.582
 OR { 2144}
   (( segid PTB  and resid  161 and name HA  ))
   (( segid PTB  and resid  161 and name HB1 ))
 ASSI { 2199}
   (( segid PTB  and resid  210 and name HA  ))
   (( segid PTB  and resid  210 and name HB1 )
     OR 
    ( segid PTB  and resid  210 and name HB3 )
     OR 
    ( segid PTB  and resid  210 and name HB2 ))
      2.200     0.800     0.800 peak  2199 weight  0.10000E+01 volume  0.48066E+01 ppm1      4.392 ppm2      1.445
 ASSI { 2271}
   (( segid PTB  and resid  126 and name HA  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.700     0.900     0.900 peak  2271 weight  0.10000E+01 volume  0.13081E+01 ppm1      4.821 ppm2      1.187
 ASSI { 2280}
   (( segid PTB  and resid  179 and name HA  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.100     0.700     0.700 peak  2280 weight  0.10000E+01 volume  0.58765E+01 ppm1      4.616 ppm2      1.619
 ASSI { 2281}
   (( segid PTB  and resid   80 and name HB  ))
   (( segid PTB  and resid  124 and name HB2 ))
      2.200     2.200     2.300 peak  2281 weight  0.10000E+01 volume  0.55131E+01 ppm1      4.390 ppm2      4.013
 OR { 2281}
   (( segid PTB  and resid   80 and name HB  ))
   (( segid PTB  and resid  124 and name HB1 ))
 ASSI { 2317}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.100     0.700     0.700 peak  2317 weight  0.10000E+01 volume  0.59582E+01 ppm1      1.654 ppm2      1.191
 OR { 2317}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2319}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid  124 and name HB2 ))
      2.600     0.900     0.900 peak  2319 weight  0.10000E+01 volume  0.17281E+01 ppm1      1.558 ppm2      4.022
 OR { 2319}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid  124 and name HB1 ))
 ASSI { 2322}
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.600     2.600     1.900 peak  2322 weight  0.10000E+01 volume  0.18497E+01 ppm1      1.050 ppm2      1.187
 OR { 2322}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2325}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.600     0.900     0.900 peak  2325 weight  0.10000E+01 volume  0.18626E+01 ppm1      0.952 ppm2      1.626
 ASSI { 2326}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.400     0.800     0.800 peak  2326 weight  0.10000E+01 volume  0.27701E+01 ppm1      0.896 ppm2      1.190
 ASSI { 2385}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.400     0.800     0.800 peak  2385 weight  0.10000E+01 volume  0.27323E+01 ppm1      1.792 ppm2      1.619
 OR { 2385}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 OR { 2385}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 OR { 2385}
   (( segid PTB  and resid  158 and name HG1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
 ASSI { 2390}
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.300     0.800     0.800 peak  2390 weight  0.10000E+01 volume  0.36740E+01 ppm1     -0.082 ppm2      1.628
 ASSI { 2396}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.400     0.800     0.800 peak  2396 weight  0.10000E+01 volume  0.28751E+01 ppm1      8.553 ppm2      1.337
 ASSI { 2397}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.400     0.800     0.800 peak  2397 weight  0.10000E+01 volume  0.31035E+01 ppm1      8.293 ppm2      0.698
 ASSI { 2398}
   (( segid PTB  and resid   93 and name HA  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.700     0.900     0.900 peak  2398 weight  0.10000E+01 volume  0.13070E+01 ppm1      4.428 ppm2      0.695
 ASSI { 2399}
   (( segid PTB  and resid  102 and name HA  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.400     0.800     0.800 peak  2399 weight  0.10000E+01 volume  0.28532E+01 ppm1      4.195 ppm2      1.336
 ASSI { 2400}
   (( segid PTB  and resid  105 and name HA  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.100     0.700     0.700 peak  2400 weight  0.10000E+01 volume  0.70961E+01 ppm1      4.053 ppm2      1.335
 ASSI { 2403}
   (( segid PTB  and resid  172 and name HB2 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.600     0.900     0.900 peak  2403 weight  0.10000E+01 volume  0.17670E+01 ppm1      2.652 ppm2      0.696
 OR { 2403}
   (( segid PTB  and resid  172 and name HB1 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 ASSI { 2404}
   (( segid PTB  and resid  174 and name HB2 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.700     0.900     0.900 peak  2404 weight  0.10000E+01 volume  0.15506E+01 ppm1      2.527 ppm2      0.692
 ASSI { 2405}
   (( segid PTB  and resid  174 and name HB1 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.500     0.900     0.900 peak  2405 weight  0.10000E+01 volume  0.20247E+01 ppm1      2.440 ppm2      1.332
 OR { 2405}
   (( segid PTB  and resid  174 and name HB2 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2406}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.700     0.900     0.900 peak  2406 weight  0.10000E+01 volume  0.15368E+01 ppm1      2.384 ppm2      1.331
 OR { 2406}
   (( segid PTB  and resid  104 and name HG1 ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
 ASSI { 2407}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.300     0.800     0.800 peak  2407 weight  0.10000E+01 volume  0.37224E+01 ppm1      2.232 ppm2      0.694
 ASSI { 2411}
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.400     0.800     0.800 peak  2411 weight  0.10000E+01 volume  0.31497E+01 ppm1      1.012 ppm2      0.695
 ASSI { 2413}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.500     2.500     2.000 peak  2413 weight  0.10000E+01 volume  0.21893E+01 ppm1      0.928 ppm2      0.697
 ASSI { 2446}
   (( segid PTB  and resid  163 and name HA  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.700     0.900     0.900 peak  2446 weight  0.10000E+01 volume  0.14842E+01 ppm1      5.468 ppm2      0.992
 ASSI { 2450}
   (( segid PTB  and resid   96 and name HA  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.400     0.800     0.800 peak  2450 weight  0.10000E+01 volume  0.25702E+01 ppm1      3.011 ppm2      1.006
 ASSI { 2454}
   (( segid PTB  and resid   76 and name HB  ))
   (( segid PTB  and resid   76 and name HA  ))
      2.500     0.900     0.900 peak  2454 weight  0.10000E+01 volume  0.22246E+01 ppm1      2.144 ppm2      3.713
 ASSI { 2458}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  191 and name HA  ))
      2.700     0.900     0.900 peak  2458 weight  0.10000E+01 volume  0.14837E+01 ppm1      1.260 ppm2      2.992
 ASSI { 2464}
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.000     0.700     0.700 peak  2464 weight  0.10000E+01 volume  0.93904E+01 ppm1      0.624 ppm2      1.001
 ASSI { 2482}
   (( segid PTB  and resid  139 and name HA  ))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
      2.300     0.800     0.800 peak  2482 weight  0.10000E+01 volume  0.42105E+01 ppm1      4.286 ppm2      0.990
 ASSI { 2487}
   (( segid PTB  and resid  163 and name HG11))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.100     0.700     0.700 peak  2487 weight  0.10000E+01 volume  0.72573E+01 ppm1      1.767 ppm2      0.994
 ASSI { 2509}
   (( segid PTB  and resid  200 and name HB2 ))
   (( segid PTB  and resid  197 and name HA  ))
      2.500     0.900     0.900 peak  2509 weight  0.10000E+01 volume  0.24205E+01 ppm1      2.342 ppm2      3.645
 ASSI { 2571}
   (( segid PTB  and resid   85 and name HB  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.300     0.800     0.800 peak  2571 weight  0.10000E+01 volume  0.35854E+01 ppm1      2.403 ppm2      0.951
 ASSI { 2601}
   (( segid PTB  and resid   82 and name HA  ))
   (( segid PTB  and resid   82 and name HB1 ))
      2.400     0.800     0.800 peak  2601 weight  0.10000E+01 volume  0.26946E+01 ppm1      5.442 ppm2      3.025
 ASSI { 2602}
   (( segid PTB  and resid   82 and name HA  ))
   (( segid PTB  and resid   82 and name HB2 ))
      2.400     0.800     0.800 peak  2602 weight  0.10000E+01 volume  0.29832E+01 ppm1      5.438 ppm2      3.418
 ASSI { 2603}
   (( segid PTB  and resid   72 and name HA  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.200     0.800     0.800 peak  2603 weight  0.10000E+01 volume  0.45764E+01 ppm1      4.489 ppm2      1.367
 ASSI { 2604}
   (( segid PTB  and resid   81 and name HA  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.300     0.800     0.800 peak  2604 weight  0.10000E+01 volume  0.41049E+01 ppm1      4.234 ppm2      1.367
 ASSI { 2605}
   (( segid PTB  and resid  196 and name HA  ))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      2.000     0.700     0.700 peak  2605 weight  0.10000E+01 volume  0.80158E+01 ppm1      4.204 ppm2      1.586
 ASSI { 2606}
   (( segid PTB  and resid   75 and name HA  ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.000     0.700     0.700 peak  2606 weight  0.10000E+01 volume  0.89455E+01 ppm1      4.088 ppm2      1.367
 ASSI { 2607}
   (( segid PTB  and resid  193 and name HA  ))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      2.400     0.800     0.800 peak  2607 weight  0.10000E+01 volume  0.28051E+01 ppm1      4.010 ppm2      1.588
 ASSI { 2609}
   (( segid PTB  and resid   82 and name HB2 ))
   (( segid PTB  and resid   82 and name HB1 ))
      2.000     0.700     0.700 peak  2609 weight  0.10000E+01 volume  0.95240E+01 ppm1      3.415 ppm2      3.028
 ASSI { 2617}
   (( segid PTB  and resid   72 and name HB2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      2.600     2.600     1.900 peak  2617 weight  0.10000E+01 volume  0.17938E+01 ppm1      2.704 ppm2      1.477
 ASSI { 2620}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.300     0.800     0.800 peak  2620 weight  0.10000E+01 volume  0.33542E+01 ppm1      2.219 ppm2      1.371
 ASSI { 2622}
   (( segid PTB  and resid  121 and name HB1 ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.600     0.900     0.900 peak  2622 weight  0.10000E+01 volume  0.16306E+01 ppm1      1.870 ppm2      0.931
 OR { 2622}
   (( segid PTB  and resid  121 and name HB2 ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
 ASSI { 2627}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      2.500     0.900     0.900 peak  2627 weight  0.10000E+01 volume  0.20924E+01 ppm1      1.037 ppm2      1.586
 OR { 2627}
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
 ASSI { 2650}
   (( segid PTB  and resid  125 and name HA2 ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.700     0.900     0.900 peak  2650 weight  0.10000E+01 volume  0.15178E+01 ppm1      4.010 ppm2      1.278
 ASSI { 2654}
   (( segid PTB  and resid  190 and name HA  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.200     0.800     0.800 peak  2654 weight  0.10000E+01 volume  0.52183E+01 ppm1      3.564 ppm2      1.474
 ASSI { 2658}
   (( segid PTB  and resid  187 and name HA  ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.600     0.900     0.900 peak  2658 weight  0.10000E+01 volume  0.17836E+01 ppm1      2.680 ppm2      1.477
 ASSI { 2662}
   (( segid PTB  and resid  104 and name HB2 ))
   (( segid PTB  and resid  101 and name HA  ))
      2.600     2.600     1.900 peak  2662 weight  0.10000E+01 volume  0.16156E+01 ppm1      2.124 ppm2      3.624
 OR { 2662}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  101 and name HA  ))
 ASSI { 2663}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.700     2.700     1.800 peak  2663 weight  0.10000E+01 volume  0.14144E+01 ppm1      1.653 ppm2      1.281
 OR { 2663}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
 ASSI { 2669}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.200     0.800     0.800 peak  2669 weight  0.10000E+01 volume  0.47098E+01 ppm1      0.888 ppm2      1.279
 ASSI { 2671}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.600     0.900     0.900 peak  2671 weight  0.10000E+01 volume  0.18474E+01 ppm1      0.785 ppm2      1.266
 ASSI { 2672}
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
   (( segid PTB  and resid   82 and name HB2 ))
      2.700     0.900     0.900 peak  2672 weight  0.10000E+01 volume  0.13354E+01 ppm1      0.767 ppm2      3.416
 ASSI { 2673}
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.400     0.800     0.800 peak  2673 weight  0.10000E+01 volume  0.29715E+01 ppm1      0.709 ppm2      1.475
 ASSI { 2676}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
      2.000     0.700     0.700 peak  2676 weight  0.10000E+01 volume  0.90800E+01 ppm1      0.604 ppm2      1.275
 ASSI { 2727}
   (( segid PTB  and resid  153 and name HB1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.700     2.700     1.800 peak  2727 weight  0.10000E+01 volume  0.15708E+01 ppm1      3.369 ppm2      2.225
 OR { 2727}
   (( segid PTB  and resid  153 and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 2729}
   (( segid PTB  and resid  100 and name HB1 ))
   (( segid PTB  and resid  101 and name HA  ))
      2.700     2.700     1.800 peak  2729 weight  0.10000E+01 volume  0.13274E+01 ppm1      2.060 ppm2      3.625
 ASSI { 2730}
   (( segid PTB  and resid  101 and name HB  ))
   (( segid PTB  and resid  101 and name HA  ))
      2.500     0.900     0.900 peak  2730 weight  0.10000E+01 volume  0.21153E+01 ppm1      1.980 ppm2      3.619
 ASSI { 2738}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid  101 and name HA  ))
      2.100     0.700     0.700 peak  2738 weight  0.10000E+01 volume  0.71964E+01 ppm1      0.869 ppm2      3.625
 ASSI { 2784}
   (( segid PTB  and resid   99 and name HG2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.400     0.800     0.800 peak  2784 weight  0.10000E+01 volume  0.26518E+01 ppm1      2.901 ppm2      2.213
 ASSI { 2790}
   (( segid PTB  and resid   99 and name HG1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.100     0.700     0.700 peak  2790 weight  0.10000E+01 volume  0.59779E+01 ppm1      2.689 ppm2      2.224
 ASSI { 2798}
   (( segid PTB  and resid  100 and name HG2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.400     2.400     2.100 peak  2798 weight  0.10000E+01 volume  0.31459E+01 ppm1      2.456 ppm2      2.225
 OR { 2798}
   (( segid PTB  and resid  100 and name HG1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 OR { 2798}
   (( segid PTB  and resid  100 and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 2803}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.600     2.600     1.900 peak  2803 weight  0.10000E+01 volume  0.19195E+01 ppm1      1.771 ppm2      2.225
 ASSI { 2828}
   (( segid PTB  and resid   91 and name HA  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.600     0.900     0.900 peak  2828 weight  0.10000E+01 volume  0.19062E+01 ppm1      4.411 ppm2      1.783
 ASSI { 2829}
   (( segid PTB  and resid   80 and name HB  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      2.500     2.500     2.000 peak  2829 weight  0.10000E+01 volume  0.24475E+01 ppm1      4.388 ppm2      1.555
 ASSI { 2830}
   (( segid PTB  and resid   79 and name HA  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      2.000     0.700     0.700 peak  2830 weight  0.10000E+01 volume  0.88165E+01 ppm1      4.171 ppm2      1.552
 ASSI { 2836}
   (( segid PTB  and resid  174 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.700     2.700     1.800 peak  2836 weight  0.10000E+01 volume  0.13654E+01 ppm1      2.466 ppm2      1.797
 OR { 2836}
   (( segid PTB  and resid  174 and name HB1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2837}
   (( segid PTB  and resid  173 and name HG2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.400     0.800     0.800 peak  2837 weight  0.10000E+01 volume  0.30511E+01 ppm1      2.166 ppm2      1.800
 OR { 2837}
   (( segid PTB  and resid  173 and name HG1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2872}
   (( segid PTB  and resid  173 and name HA  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.700     0.900     0.900 peak  2872 weight  0.10000E+01 volume  0.14441E+01 ppm1      5.286 ppm2      1.784
 ASSI { 2876}
   (( segid PTB  and resid  183 and name HA  ))
   (( segid PTB  and resid  183 and name HB2 ))
      2.300     0.800     0.800 peak  2876 weight  0.10000E+01 volume  0.39568E+01 ppm1      4.607 ppm2      4.064
 ASSI { 2877}
   (( segid PTB  and resid  183 and name HA  ))
   (( segid PTB  and resid  183 and name HB1 ))
      2.200     0.800     0.800 peak  2877 weight  0.10000E+01 volume  0.47295E+01 ppm1      4.602 ppm2      4.456
 ASSI { 2879}
   (( segid PTB  and resid  183 and name HB1 ))
   (( segid PTB  and resid  183 and name HB2 ))
      1.900     0.700     0.700 peak  2879 weight  0.10000E+01 volume  0.13268E+02 ppm1      4.457 ppm2      4.060
 ASSI { 2887}
   (( segid PTB  and resid  103 and name HG2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.700     0.900     0.900 peak  2887 weight  0.10000E+01 volume  0.14486E+01 ppm1      2.606 ppm2      2.214
 ASSI { 2962}
   (( segid PTB  and resid  168 and name HG21)
     OR 
    ( segid PTB  and resid  168 and name HG23)
     OR 
    ( segid PTB  and resid  168 and name HG22))
   (( segid PTB  and resid  168 and name HA  ))
      2.100     0.700     0.700 peak  2962 weight  0.10000E+01 volume  0.68934E+01 ppm1      1.253 ppm2      4.291
 ASSI { 2973}
   (( segid PTB  and resid  112 and name HA  ))
   (( segid PTB  and resid  112 and name HB1 ))
      2.000     0.700     0.700 peak  2973 weight  0.10000E+01 volume  0.89782E+01 ppm1      4.322 ppm2      4.040
 ASSI { 2979}
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
   (( segid PTB  and resid   78 and name HB1 ))
      2.700     0.900     0.900 peak  2979 weight  0.10000E+01 volume  0.13009E+01 ppm1      1.087 ppm2      3.910
 OR { 2979}
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
   (( segid PTB  and resid   78 and name HB2 ))
 ASSI { 2989}
   (( segid PTB  and resid  109 and name HA  ))
   (( segid PTB  and resid  112 and name HB1 ))
      2.400     2.400     2.100 peak  2989 weight  0.10000E+01 volume  0.30783E+01 ppm1      3.820 ppm2      4.068
 ASSI { 3040}
   (( segid PTB  and resid   66 and name HB1 ))
   (( segid PTB  and resid   66 and name HA  ))
      2.100     0.700     0.700 peak  3040 weight  0.10000E+01 volume  0.57446E+01 ppm1      2.169 ppm2      4.227
 ASSI { 3047}
   (( segid PTB  and resid   66 and name HB2 ))
   (( segid PTB  and resid   66 and name HA  ))
      2.400     0.800     0.800 peak  3047 weight  0.10000E+01 volume  0.28902E+01 ppm1      1.598 ppm2      4.230
 ASSI { 3074}
   (( segid PTB  and resid  161 and name HB1 ))
   (( segid PTB  and resid  102 and name HA  ))
      2.700     0.900     0.900 peak  3074 weight  0.10000E+01 volume  0.14525E+01 ppm1      3.579 ppm2      4.207
 OR { 3074}
   (( segid PTB  and resid  161 and name HB2 ))
   (( segid PTB  and resid  102 and name HA  ))
 ASSI { 3075}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid  102 and name HA  ))
      2.500     0.900     0.900 peak  3075 weight  0.10000E+01 volume  0.22796E+01 ppm1      3.144 ppm2      4.209
 ASSI { 3076}
   (( segid PTB  and resid   66 and name HG2 ))
   (( segid PTB  and resid   66 and name HA  ))
      2.700     0.900     0.900 peak  3076 weight  0.10000E+01 volume  0.14826E+01 ppm1      1.817 ppm2      4.212
 OR { 3076}
   (( segid PTB  and resid   66 and name HG1 ))
   (( segid PTB  and resid   66 and name HA  ))
 ASSI { 3186}
   (( segid PTB  and resid  102 and name HB2 ))
   (( segid PTB  and resid  102 and name HA  ))
      2.500     0.900     0.900 peak  3186 weight  0.10000E+01 volume  0.24281E+01 ppm1      3.003 ppm2      4.205
 ASSI { 3191}
   (( segid PTB  and resid   96 and name HB2 ))
   (( segid PTB  and resid   96 and name HB1 ))
      2.600     0.900     0.900 peak  3191 weight  0.10000E+01 volume  0.19489E+01 ppm1      1.483 ppm2      2.860
 ASSI { 3209}
   (( segid PTB  and resid  164 and name HA  ))
   (( segid PTB  and resid  147 and name HA  ))
      2.600     0.900     0.900 peak  3209 weight  0.10000E+01 volume  0.19539E+01 ppm1      5.972 ppm2      4.456
 ASSI { 3210}
   (( segid PTB  and resid   84 and name HA  ))
   (( segid PTB  and resid   84 and name HB1 ))
      2.200     0.800     0.800 peak  3210 weight  0.10000E+01 volume  0.45838E+01 ppm1      4.977 ppm2      3.986
 OR { 3210}
   (( segid PTB  and resid   84 and name HA  ))
   (( segid PTB  and resid   84 and name HB2 ))
 ASSI { 3217}
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
   (( segid PTB  and resid  147 and name HA  ))
      2.400     0.800     0.800 peak  3217 weight  0.10000E+01 volume  0.26086E+01 ppm1      0.928 ppm2      4.464
 ASSI { 3227}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   84 and name HB1 ))
      2.600     0.900     0.900 peak  3227 weight  0.10000E+01 volume  0.19894E+01 ppm1      9.207 ppm2      4.001
 OR { 3227}
   (( segid PTB  and resid   85 and name HN  ))
   (( segid PTB  and resid   84 and name HB2 ))
 ASSI { 3233}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid   84 and name HB2 ))
      2.600     0.900     0.900 peak  3233 weight  0.10000E+01 volume  0.18195E+01 ppm1      2.645 ppm2      3.982
 OR { 3233}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid   84 and name HB1 ))
 ASSI { 3234}
   (( segid PTB  and resid  193 and name HB2 ))
   (( segid PTB  and resid  193 and name HA  ))
      2.600     0.900     0.900 peak  3234 weight  0.10000E+01 volume  0.19627E+01 ppm1      2.590 ppm2      4.001
 ASSI { 3257}
   (( segid PTB  and resid  193 and name HB1 ))
   (( segid PTB  and resid  193 and name HA  ))
      2.600     0.900     0.900 peak  3257 weight  0.10000E+01 volume  0.16251E+01 ppm1      3.071 ppm2      4.007
 ASSI { 3287}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid  116 and name HA  ))
      2.600     0.900     0.900 peak  3287 weight  0.10000E+01 volume  0.17954E+01 ppm1      3.998 ppm2      4.511
 ASSI { 3294}
   (( segid PTB  and resid  116 and name HB1 ))
   (( segid PTB  and resid  116 and name HA  ))
      2.100     0.700     0.700 peak  3294 weight  0.10000E+01 volume  0.62891E+01 ppm1      2.003 ppm2      4.521
 ASSI { 3298}
   (( segid PTB  and resid  116 and name HB2 ))
   (( segid PTB  and resid  116 and name HA  ))
      2.400     0.800     0.800 peak  3298 weight  0.10000E+01 volume  0.31241E+01 ppm1      1.618 ppm2      4.526
 ASSI { 3299}
   (( segid PTB  and resid  206 and name HG21)
     OR 
    ( segid PTB  and resid  206 and name HG23)
     OR 
    ( segid PTB  and resid  206 and name HG22))
   (( segid PTB  and resid  206 and name HA  ))
      2.500     0.900     0.900 peak  3299 weight  0.10000E+01 volume  0.20880E+01 ppm1      1.265 ppm2      4.311
 ASSI { 3307}
   (( segid PTB  and resid  198 and name HB1 ))
   (( segid PTB  and resid  198 and name HA  ))
      2.300     0.800     0.800 peak  3307 weight  0.10000E+01 volume  0.35466E+01 ppm1      3.238 ppm2      4.119
 OR { 3307}
   (( segid PTB  and resid  198 and name HB2 ))
   (( segid PTB  and resid  198 and name HA  ))
 ASSI { 3349}
   (( segid PTB  and resid  180 and name HB1 ))
   (( segid PTB  and resid  180 and name HA  ))
      2.600     0.900     0.900 peak  3349 weight  0.10000E+01 volume  0.18624E+01 ppm1      2.655 ppm2      4.269
 ASSI { 3351}
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
   (( segid PTB  and resid  143 and name HA  ))
      2.300     0.800     0.800 peak  3351 weight  0.10000E+01 volume  0.32683E+01 ppm1      1.374 ppm2      4.632
 ASSI { 3352}
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
   (( segid PTB  and resid  140 and name HA  ))
      2.200     0.800     0.800 peak  3352 weight  0.10000E+01 volume  0.48467E+01 ppm1      0.824 ppm2      4.091
 ASSI { 3391}
   (( segid PTB  and resid   97 and name HA  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      2.500     0.900     0.900 peak  3391 weight  0.10000E+01 volume  0.20584E+01 ppm1      3.598 ppm2      0.630
 ASSI { 3397}
   (( segid PTB  and resid  163 and name HG12))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      2.300     0.800     0.800 peak  3397 weight  0.10000E+01 volume  0.39384E+01 ppm1      1.723 ppm2      0.630
 OR { 3397}
   (( segid PTB  and resid  163 and name HG11))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 OR { 3397}
   (( segid PTB  and resid  163 and name HB  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 ASSI { 3401}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      2.200     2.200     2.300 peak  3401 weight  0.10000E+01 volume  0.48429E+01 ppm1      0.843 ppm2      0.623
 OR { 3401}
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 ASSI { 3402}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  123 and name HA  ))
      2.400     0.800     0.800 peak  3402 weight  0.10000E+01 volume  0.32397E+01 ppm1      0.791 ppm2      4.328
 ASSI { 3403}
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
   (( segid PTB  and resid  123 and name HA  ))
      2.400     0.800     0.800 peak  3403 weight  0.10000E+01 volume  0.27739E+01 ppm1      0.706 ppm2      4.328
 ASSI { 3405}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  123 and name HA  ))
      2.300     0.800     0.800 peak  3405 weight  0.10000E+01 volume  0.36985E+01 ppm1      0.607 ppm2      4.322
 ASSI { 3430}
   (( segid PTB  and resid  117 and name HB  ))
   (( segid PTB  and resid  117 and name HA  ))
      2.700     0.900     0.900 peak  3430 weight  0.10000E+01 volume  0.13198E+01 ppm1      2.183 ppm2      4.312
 ASSI { 3433}
   (( segid PTB  and resid  139 and name HG12))
   (( segid PTB  and resid  139 and name HA  ))
      2.600     0.900     0.900 peak  3433 weight  0.10000E+01 volume  0.15935E+01 ppm1      1.338 ppm2      4.299
 OR { 3433}
   (( segid PTB  and resid  139 and name HG11))
   (( segid PTB  and resid  139 and name HA  ))
 ASSI { 3434}
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
   (( segid PTB  and resid  117 and name HA  ))
      2.000     2.000     2.500 peak  3434 weight  0.10000E+01 volume  0.77872E+01 ppm1      1.165 ppm2      4.316
 ASSI { 3435}
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
   (( segid PTB  and resid  117 and name HA  ))
      2.100     0.700     0.700 peak  3435 weight  0.10000E+01 volume  0.55575E+01 ppm1      1.055 ppm2      4.311
 ASSI { 3441}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  144 and name HA  ))
      2.300     0.800     0.800 peak  3441 weight  0.10000E+01 volume  0.33649E+01 ppm1      1.651 ppm2      3.949
 OR { 3441}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  144 and name HA  ))
 ASSI { 3442}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  169 and name HA  ))
      2.100     0.700     0.700 peak  3442 weight  0.10000E+01 volume  0.66537E+01 ppm1      1.200 ppm2      4.411
 ASSI { 3443}
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
   (( segid PTB  and resid  144 and name HA  ))
      2.700     0.900     0.900 peak  3443 weight  0.10000E+01 volume  0.15185E+01 ppm1      1.189 ppm2      3.944
 ASSI { 3477}
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      2.700     0.900     0.900 peak  3477 weight  0.10000E+01 volume  0.13825E+01 ppm1      7.016 ppm2      0.894
 OR { 3477}
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 3494}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      2.500     0.900     0.900 peak  3494 weight  0.10000E+01 volume  0.24047E+01 ppm1      0.306 ppm2      0.889
 ASSI { 3522}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
      2.300     0.800     0.800 peak  3522 weight  0.10000E+01 volume  0.40155E+01 ppm1      1.653 ppm2      0.896
 OR { 3522}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
 ASSI { 3554}
   (( segid PTB  and resid  132 and name HB2 ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.500     0.900     0.900 peak  3554 weight  0.10000E+01 volume  0.20888E+01 ppm1      2.619 ppm2      0.881
 ASSI { 3558}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.400     0.800     0.800 peak  3558 weight  0.10000E+01 volume  0.28946E+01 ppm1      1.776 ppm2      0.878
 ASSI { 3583}
   (( segid PTB  and resid  121 and name HA  ))
   (( segid PTB  and resid  130 and name HA  ))
      2.500     0.900     0.900 peak  3583 weight  0.10000E+01 volume  0.21892E+01 ppm1      5.114 ppm2      5.387
 ASSI { 3595}
   (( segid PTB  and resid  139 and name HG11))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.000     0.700     0.700 peak  3595 weight  0.10000E+01 volume  0.82464E+01 ppm1      1.334 ppm2      0.884
 OR { 3595}
   (( segid PTB  and resid  139 and name HG12))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
 ASSI { 3640}
   (( segid PTB  and resid  179 and name HA  ))
   (( segid PTB  and resid   85 and name HA  ))
      2.600     0.900     0.900 peak  3640 weight  0.10000E+01 volume  0.18487E+01 ppm1      4.613 ppm2      5.485
 ASSI { 3643}
   (( segid PTB  and resid   85 and name HB  ))
   (( segid PTB  and resid   85 and name HA  ))
      2.600     0.900     0.900 peak  3643 weight  0.10000E+01 volume  0.15963E+01 ppm1      2.421 ppm2      5.465
 ASSI { 3656}
   (( segid PTB  and resid   73 and name HB1 ))
   (( segid PTB  and resid   73 and name HA  ))
      2.300     0.800     0.800 peak  3656 weight  0.10000E+01 volume  0.34584E+01 ppm1      2.318 ppm2      3.877
 OR { 3656}
   (( segid PTB  and resid   73 and name HB2 ))
   (( segid PTB  and resid   73 and name HA  ))
 ASSI { 3660}
   (( segid PTB  and resid   73 and name HG2 ))
   (( segid PTB  and resid   73 and name HA  ))
      2.500     0.900     0.900 peak  3660 weight  0.10000E+01 volume  0.20461E+01 ppm1      2.205 ppm2      3.878
 OR { 3660}
   (( segid PTB  and resid   73 and name HG1 ))
   (( segid PTB  and resid   73 and name HA  ))
 ASSI { 3667}
   (( segid PTB  and resid  107 and name HB2 ))
   (( segid PTB  and resid  107 and name HA  ))
      2.100     0.700     0.700 peak  3667 weight  0.10000E+01 volume  0.71519E+01 ppm1      1.946 ppm2      3.875
 OR { 3667}
   (( segid PTB  and resid  107 and name HB1 ))
   (( segid PTB  and resid  107 and name HA  ))
 ASSI { 3669}
   (( segid PTB  and resid   77 and name HB1 ))
   (( segid PTB  and resid   77 and name HA  ))
      2.500     0.900     0.900 peak  3669 weight  0.10000E+01 volume  0.23968E+01 ppm1      1.793 ppm2      3.877
 ASSI { 3672}
   (( segid PTB  and resid   77 and name HG1 ))
   (( segid PTB  and resid   77 and name HA  ))
      2.500     0.900     0.900 peak  3672 weight  0.10000E+01 volume  0.23821E+01 ppm1      1.569 ppm2      3.884
 OR { 3672}
   (( segid PTB  and resid   77 and name HG2 ))
   (( segid PTB  and resid   77 and name HA  ))
 ASSI { 3673}
   (( segid PTB  and resid  107 and name HG2 ))
   (( segid PTB  and resid  107 and name HA  ))
      2.600     0.900     0.900 peak  3673 weight  0.10000E+01 volume  0.16133E+01 ppm1      1.328 ppm2      3.876
 OR { 3673}
   (( segid PTB  and resid  107 and name HG1 ))
   (( segid PTB  and resid  107 and name HA  ))
 ASSI { 3674}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid   77 and name HA  ))
      2.300     0.800     0.800 peak  3674 weight  0.10000E+01 volume  0.39218E+01 ppm1      1.023 ppm2      3.892
 ASSI { 3676}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid   85 and name HA  ))
      2.300     0.800     0.800 peak  3676 weight  0.10000E+01 volume  0.35708E+01 ppm1      0.951 ppm2      5.474
 OR { 3676}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid   85 and name HA  ))
 ASSI { 3703}
   (( segid PTB  and resid   99 and name HG1 ))
   (( segid PTB  and resid   99 and name HA  ))
      2.700     0.900     0.900 peak  3703 weight  0.10000E+01 volume  0.14069E+01 ppm1      2.673 ppm2      4.048
 ASSI { 3707}
   (( segid PTB  and resid   99 and name HB2 ))
   (( segid PTB  and resid   99 and name HA  ))
      2.600     0.900     0.900 peak  3707 weight  0.10000E+01 volume  0.19231E+01 ppm1      2.211 ppm2      4.054
 ASSI { 3708}
   (( segid PTB  and resid   99 and name HB2 ))
   (( segid PTB  and resid   99 and name HA  ))
      2.500     0.900     0.900 peak  3708 weight  0.10000E+01 volume  0.20504E+01 ppm1      2.146 ppm2      4.053
 OR { 3708}
   (( segid PTB  and resid   99 and name HB1 ))
   (( segid PTB  and resid   99 and name HA  ))
 ASSI { 3741}
   (( segid PTB  and resid  138 and name HA  ))
   (( segid PTB  and resid  131 and name HA  ))
      2.300     0.800     0.800 peak  3741 weight  0.10000E+01 volume  0.38614E+01 ppm1      4.564 ppm2      4.876
 ASSI { 3755}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  131 and name HA  ))
      2.600     0.900     0.900 peak  3755 weight  0.10000E+01 volume  0.16791E+01 ppm1      1.931 ppm2      4.866
 ASSI { 3791}
   (( segid PTB  and resid  103 and name HG2 ))
   (( segid PTB  and resid  103 and name HA  ))
      2.500     0.900     0.900 peak  3791 weight  0.10000E+01 volume  0.22647E+01 ppm1      2.590 ppm2      3.910
 ASSI { 3793}
   (( segid PTB  and resid  185 and name HG2 ))
   (( segid PTB  and resid  185 and name HA  ))
      2.700     0.900     0.900 peak  3793 weight  0.10000E+01 volume  0.14534E+01 ppm1      2.468 ppm2      3.934
 OR { 3793}
   (( segid PTB  and resid  185 and name HG1 ))
   (( segid PTB  and resid  185 and name HA  ))
 ASSI { 3795}
   (( segid PTB  and resid  185 and name HB1 ))
   (( segid PTB  and resid  185 and name HA  ))
      2.400     0.800     0.800 peak  3795 weight  0.10000E+01 volume  0.29604E+01 ppm1      2.266 ppm2      3.922
 OR { 3795}
   (( segid PTB  and resid  185 and name HB2 ))
   (( segid PTB  and resid  185 and name HA  ))
 ASSI { 3815}
   (( segid PTB  and resid  189 and name HB2 ))
   (( segid PTB  and resid  185 and name HA  ))
      2.700     0.900     0.900 peak  3815 weight  0.10000E+01 volume  0.13123E+01 ppm1      2.661 ppm2      3.895
 ASSI { 3840}
   (( segid GPPY and resid 2    and name HE1 )
     OR 
    ( segid GPPY and resid 2    and name HE2 ))
   (( segid PTB  and resid  189 and name HA  ))
      2.400     2.400     2.100 peak  3840 weight  0.10000E+01 volume  0.30668E+01 ppm1      6.645 ppm2      4.076
 ASSI { 3844}
   (( segid PTB  and resid  157 and name HG1 ))
   (( segid PTB  and resid  157 and name HA  ))
      2.300     0.800     0.800 peak  3844 weight  0.10000E+01 volume  0.32721E+01 ppm1      2.384 ppm2      4.443
 OR { 3844}
   (( segid PTB  and resid  157 and name HG2 ))
   (( segid PTB  and resid  157 and name HA  ))
 ASSI { 3846}
   (( segid PTB  and resid  157 and name HB1 ))
   (( segid PTB  and resid  157 and name HA  ))
      2.300     0.800     0.800 peak  3846 weight  0.10000E+01 volume  0.35585E+01 ppm1      2.175 ppm2      4.445
 ASSI { 3852}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  187 and name HA  ))
      2.600     0.900     0.900 peak  3852 weight  0.10000E+01 volume  0.18787E+01 ppm1      0.285 ppm2      2.710
 ASSI { 3871}
   (( segid PTB  and resid  200 and name HB2 ))
   (( segid PTB  and resid  200 and name HA  ))
      2.300     0.800     0.800 peak  3871 weight  0.10000E+01 volume  0.41656E+01 ppm1      2.355 ppm2      4.100
 ASSI { 3873}
   (( segid PTB  and resid  110 and name HG1 ))
   (( segid PTB  and resid  110 and name HA  ))
      2.400     0.800     0.800 peak  3873 weight  0.10000E+01 volume  0.26257E+01 ppm1      1.466 ppm2      4.011
 OR { 3873}
   (( segid PTB  and resid  110 and name HG2 ))
   (( segid PTB  and resid  110 and name HA  ))
 ASSI { 3897}
   (( segid PTB  and resid  120 and name HA  ))
   (( segid PTB  and resid   84 and name HA  ))
      2.600     0.900     0.900 peak  3897 weight  0.10000E+01 volume  0.16380E+01 ppm1      5.222 ppm2      4.964
 ASSI { 3916}
   (( segid PTB  and resid  100 and name HG2 ))
   (( segid PTB  and resid  100 and name HA  ))
      2.500     0.900     0.900 peak  3916 weight  0.10000E+01 volume  0.25058E+01 ppm1      2.482 ppm2      4.170
 OR { 3916}
   (( segid PTB  and resid  100 and name HG1 ))
   (( segid PTB  and resid  100 and name HA  ))
 ASSI { 3917}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  104 and name HA  ))
      2.300     2.300     2.200 peak  3917 weight  0.10000E+01 volume  0.38365E+01 ppm1      2.436 ppm2      4.062
 ASSI { 3918}
   (( segid PTB  and resid  100 and name HG2 ))
   (( segid PTB  and resid  100 and name HA  ))
      2.200     0.800     0.800 peak  3918 weight  0.10000E+01 volume  0.52838E+01 ppm1      2.414 ppm2      4.183
 OR { 3918}
   (( segid PTB  and resid  100 and name HB2 ))
   (( segid PTB  and resid  100 and name HA  ))
 OR { 3918}
   (( segid PTB  and resid  100 and name HG1 ))
   (( segid PTB  and resid  100 and name HA  ))
 ASSI { 3922}
   (( segid PTB  and resid  134 and name HB1 ))
   (( segid PTB  and resid  134 and name HA  ))
      2.000     0.700     0.700 peak  3922 weight  0.10000E+01 volume  0.88682E+01 ppm1      2.267 ppm2      4.242
 OR { 3922}
   (( segid PTB  and resid  134 and name HB2 ))
   (( segid PTB  and resid  134 and name HA  ))
 ASSI { 3923}
   (( segid PTB  and resid   70 and name HB1 ))
   (( segid PTB  and resid   70 and name HA  ))
      2.100     0.700     0.700 peak  3923 weight  0.10000E+01 volume  0.64808E+01 ppm1      2.204 ppm2      4.175
 ASSI { 3926}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid   91 and name HA  ))
      2.300     0.800     0.800 peak  3926 weight  0.10000E+01 volume  0.39756E+01 ppm1      1.961 ppm2      4.407
 ASSI { 3928}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  110 and name HA  ))
      2.100     0.700     0.700 peak  3928 weight  0.10000E+01 volume  0.58124E+01 ppm1      1.897 ppm2      4.012
 OR { 3928}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid  110 and name HA  ))
 ASSI { 3929}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid   84 and name HA  ))
      2.700     0.900     0.900 peak  3929 weight  0.10000E+01 volume  0.13877E+01 ppm1      0.945 ppm2      4.987
 ASSI { 3931}
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
   (( segid PTB  and resid   84 and name HA  ))
      2.200     0.800     0.800 peak  3931 weight  0.10000E+01 volume  0.42403E+01 ppm1      0.762 ppm2      4.964
 ASSI { 3946}
   (( segid PTB  and resid   93 and name HB  ))
   (( segid PTB  and resid   93 and name HA  ))
      2.400     0.800     0.800 peak  3946 weight  0.10000E+01 volume  0.28196E+01 ppm1      2.224 ppm2      4.423
 ASSI { 3952}
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
   (( segid PTB  and resid   91 and name HA  ))
      2.200     0.800     0.800 peak  3952 weight  0.10000E+01 volume  0.52225E+01 ppm1      0.814 ppm2      4.428
 ASSI { 4065}
   (( segid PTB  and resid  202 and name HD1 ))
   (( segid PTB  and resid  202 and name HA  ))
      2.300     0.800     0.800 peak  4065 weight  0.10000E+01 volume  0.33625E+01 ppm1      1.759 ppm2      4.137
 OR { 4065}
   (( segid PTB  and resid  202 and name HD2 ))
   (( segid PTB  and resid  202 and name HA  ))
 ASSI { 4068}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid   78 and name HA  ))
      2.500     2.500     2.000 peak  4068 weight  0.10000E+01 volume  0.24528E+01 ppm1      0.968 ppm2      4.525
 ASSI { 4116}
   (( segid PTB  and resid   94 and name HD1 )
     OR 
    ( segid PTB  and resid   94 and name HD2 ))
   (( segid PTB  and resid   94 and name HA  ))
      2.400     0.800     0.800 peak  4116 weight  0.10000E+01 volume  0.27158E+01 ppm1      7.337 ppm2      4.898
 ASSI { 4117}
   (( segid PTB  and resid  172 and name HD1 ))
   (( segid PTB  and resid   94 and name HA  ))
      2.700     0.900     0.900 peak  4117 weight  0.10000E+01 volume  0.15133E+01 ppm1      6.902 ppm2      4.892
 ASSI { 4134}
   (( segid PTB  and resid   94 and name HB2 ))
   (( segid PTB  and resid   94 and name HA  ))
      2.600     0.900     0.900 peak  4134 weight  0.10000E+01 volume  0.19528E+01 ppm1      3.599 ppm2      4.897
 ASSI { 4136}
   (( segid PTB  and resid  106 and name HB1 ))
   (( segid PTB  and resid  106 and name HA  ))
      2.500     0.900     0.900 peak  4136 weight  0.10000E+01 volume  0.24077E+01 ppm1      1.790 ppm2      3.824
 ASSI { 4137}
   (( segid PTB  and resid  106 and name HG  ))
   (( segid PTB  and resid  106 and name HA  ))
      2.600     0.900     0.900 peak  4137 weight  0.10000E+01 volume  0.18107E+01 ppm1      1.516 ppm2      3.811
 OR { 4137}
   (( segid PTB  and resid  106 and name HB2 ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 4138}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  106 and name HA  ))
      2.200     0.800     0.800 peak  4138 weight  0.10000E+01 volume  0.47204E+01 ppm1      0.870 ppm2      3.813
 OR { 4138}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 4139}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid  106 and name HA  ))
      2.600     0.900     0.900 peak  4139 weight  0.10000E+01 volume  0.19729E+01 ppm1      0.491 ppm2      3.816
 ASSI { 4164}
   (( segid PTB  and resid  199 and name HB2 ))
   (( segid PTB  and resid  199 and name HA  ))
      2.400     0.800     0.800 peak  4164 weight  0.10000E+01 volume  0.29247E+01 ppm1      1.650 ppm2      4.134
 OR { 4164}
   (( segid PTB  and resid  199 and name HB1 ))
   (( segid PTB  and resid  199 and name HA  ))
 ASSI { 4167}
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
   (( segid PTB  and resid  199 and name HA  ))
      2.100     2.100     2.400 peak  4167 weight  0.10000E+01 volume  0.64954E+01 ppm1      0.950 ppm2      4.123
 OR { 4167}
   (( segid PTB  and resid  199 and name HD21)
     OR 
    ( segid PTB  and resid  199 and name HD23)
     OR 
    ( segid PTB  and resid  199 and name HD22))
   (( segid PTB  and resid  199 and name HA  ))
 ASSI { 4194}
   (( segid PTB  and resid   96 and name HB2 ))
   (( segid PTB  and resid   96 and name HA  ))
      2.500     0.900     0.900 peak  4194 weight  0.10000E+01 volume  0.23495E+01 ppm1      1.488 ppm2      3.010
 ASSI { 4195}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  109 and name HA  ))
      2.600     0.900     0.900 peak  4195 weight  0.10000E+01 volume  0.16812E+01 ppm1      1.085 ppm2      3.851
 OR { 4195}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid  109 and name HA  ))
 ASSI { 4215}
   (( segid PTB  and resid   69 and name HD1 ))
   (( segid PTB  and resid   69 and name HA  ))
      2.400     0.800     0.800 peak  4215 weight  0.10000E+01 volume  0.26157E+01 ppm1      6.973 ppm2      4.759
 ASSI { 4226}
   (( segid PTB  and resid   69 and name HB1 ))
   (( segid PTB  and resid   69 and name HA  ))
      2.700     0.900     0.900 peak  4226 weight  0.10000E+01 volume  0.15121E+01 ppm1      3.036 ppm2      4.774
 ASSI { 4227}
   (( segid PTB  and resid   96 and name HB1 ))
   (( segid PTB  and resid   96 and name HA  ))
      2.500     0.900     0.900 peak  4227 weight  0.10000E+01 volume  0.24518E+01 ppm1      2.855 ppm2      2.994
 ASSI { 4231}
   (( segid PTB  and resid   68 and name HG2 ))
   (( segid PTB  and resid   68 and name HA  ))
      2.600     0.900     0.900 peak  4231 weight  0.10000E+01 volume  0.18282E+01 ppm1      2.081 ppm2      4.076
 ASSI { 4232}
   (( segid PTB  and resid   68 and name HG1 ))
   (( segid PTB  and resid   68 and name HA  ))
      2.400     0.800     0.800 peak  4232 weight  0.10000E+01 volume  0.26881E+01 ppm1      1.982 ppm2      4.074
 ASSI { 4233}
   (( segid PTB  and resid   68 and name HB1 ))
   (( segid PTB  and resid   68 and name HA  ))
      2.300     0.800     0.800 peak  4233 weight  0.10000E+01 volume  0.36435E+01 ppm1      1.845 ppm2      4.067
 OR { 4233}
   (( segid PTB  and resid   68 and name HB2 ))
   (( segid PTB  and resid   68 and name HA  ))
 ASSI { 4234}
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
   (( segid PTB  and resid   68 and name HA  ))
      2.400     0.800     0.800 peak  4234 weight  0.10000E+01 volume  0.29941E+01 ppm1      1.510 ppm2      4.072
 ASSI { 4271}
   (( segid PTB  and resid  204 and name HB2 ))
   (( segid PTB  and resid  204 and name HA  ))
      2.400     0.800     0.800 peak  4271 weight  0.10000E+01 volume  0.32500E+01 ppm1      1.883 ppm2      4.204
 OR { 4271}
   (( segid PTB  and resid  204 and name HB1 ))
   (( segid PTB  and resid  204 and name HA  ))
 ASSI { 4302}
   (( segid PTB  and resid  133 and name HB2 ))
   (( segid PTB  and resid  133 and name HA  ))
      2.100     0.700     0.700 peak  4302 weight  0.10000E+01 volume  0.70408E+01 ppm1      2.600 ppm2      4.507
 OR { 4302}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  133 and name HA  ))
 ASSI { 4333}
   (( segid PTB  and resid  136 and name HB2 ))
   (( segid PTB  and resid  136 and name HA  ))
      2.600     0.900     0.900 peak  4333 weight  0.10000E+01 volume  0.17714E+01 ppm1      2.225 ppm2      4.112
 ASSI { 4337}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid   92 and name HA  ))
      2.600     0.900     0.900 peak  4337 weight  0.10000E+01 volume  0.16156E+01 ppm1      1.794 ppm2      5.057
 ASSI { 4339}
   (( segid PTB  and resid  136 and name HG2 ))
   (( segid PTB  and resid  136 and name HA  ))
      2.700     0.900     0.900 peak  4339 weight  0.10000E+01 volume  0.13888E+01 ppm1      1.450 ppm2      4.120
 ASSI { 4340}
   (( segid PTB  and resid  136 and name HG1 ))
   (( segid PTB  and resid  136 and name HA  ))
      2.700     0.900     0.900 peak  4340 weight  0.10000E+01 volume  0.13190E+01 ppm1      1.312 ppm2      4.135
 ASSI { 4341}
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
   (( segid PTB  and resid  136 and name HA  ))
      2.200     0.800     0.800 peak  4341 weight  0.10000E+01 volume  0.48922E+01 ppm1      0.808 ppm2      4.116
 ASSI { 4360}
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
   (( segid PTB  and resid  195 and name HA  ))
      2.600     0.900     0.900 peak  4360 weight  0.10000E+01 volume  0.19182E+01 ppm1      7.054 ppm2      4.323
 ASSI { 4364}
   (( segid PTB  and resid   67 and name HB2 ))
   (( segid PTB  and resid   67 and name HA  ))
      2.300     0.800     0.800 peak  4364 weight  0.10000E+01 volume  0.38394E+01 ppm1      3.105 ppm2      4.399
 ASSI { 4372}
   (( segid PTB  and resid  136 and name HD2 ))
   (( segid PTB  and resid  136 and name HA  ))
      2.600     0.900     0.900 peak  4372 weight  0.10000E+01 volume  0.18759E+01 ppm1      1.724 ppm2      4.120
 ASSI { 4373}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  136 and name HA  ))
      2.700     0.900     0.900 peak  4373 weight  0.10000E+01 volume  0.14775E+01 ppm1      1.592 ppm2      4.076
 ASSI { 4401}
   (( segid PTB  and resid  124 and name HB2 ))
   (( segid PTB  and resid  124 and name HA  ))
      2.400     0.800     0.800 peak  4401 weight  0.10000E+01 volume  0.25982E+01 ppm1      3.986 ppm2      5.189
 OR { 4401}
   (( segid PTB  and resid  124 and name HB1 ))
   (( segid PTB  and resid  124 and name HA  ))
 ASSI { 4406}
   (( segid PTB  and resid  170 and name HD2 ))
   (( segid PTB  and resid  170 and name HA  ))
      2.700     2.700     1.800 peak  4406 weight  0.10000E+01 volume  0.13064E+01 ppm1      3.153 ppm2      3.719
 OR { 4406}
   (( segid PTB  and resid  170 and name HD1 ))
   (( segid PTB  and resid  170 and name HA  ))
 ASSI { 4411}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  183 and name HA  ))
      2.700     0.900     0.900 peak  4411 weight  0.10000E+01 volume  0.14664E+01 ppm1      1.795 ppm2      4.600
 OR { 4411}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  183 and name HA  ))
 OR { 4411}
   (( segid PTB  and resid  158 and name HG1 ))
   (( segid PTB  and resid  183 and name HA  ))
 OR { 4411}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  183 and name HA  ))
 ASSI { 4412}
   (( segid PTB  and resid  170 and name HG2 ))
   (( segid PTB  and resid  170 and name HA  ))
      2.400     0.800     0.800 peak  4412 weight  0.10000E+01 volume  0.25404E+01 ppm1      1.470 ppm2      3.708
 OR { 4412}
   (( segid PTB  and resid  170 and name HG1 ))
   (( segid PTB  and resid  170 and name HA  ))
 ASSI { 4505}
   (( segid PTB  and resid  177 and name HA  ))
   (( segid PTB  and resid   87 and name HA  ))
      2.600     0.900     0.900 peak  4505 weight  0.10000E+01 volume  0.18379E+01 ppm1      5.399 ppm2      4.775
 ASSI { 4516}
   (( segid PTB  and resid  122 and name HA  ))
   (( segid PTB  and resid   82 and name HA  ))
      2.300     0.800     0.800 peak  4516 weight  0.10000E+01 volume  0.37308E+01 ppm1      4.982 ppm2      5.443
 ASSI { 4537}
   (( segid PTB  and resid   79 and name HA  ))
   (( segid PTB  and resid  124 and name HA  ))
      2.700     0.900     0.900 peak  4537 weight  0.10000E+01 volume  0.14850E+01 ppm1      4.174 ppm2      5.148
 ASSI { 4555}
   (( segid PTB  and resid  156 and name HB1 ))
   (( segid PTB  and resid  156 and name HA  ))
      2.600     0.900     0.900 peak  4555 weight  0.10000E+01 volume  0.18238E+01 ppm1      3.066 ppm2      4.591
 ASSI { 4564}
   (( segid PTB  and resid  170 and name HB1 ))
   (( segid PTB  and resid  170 and name HA  ))
      2.500     0.900     0.900 peak  4564 weight  0.10000E+01 volume  0.21453E+01 ppm1      1.843 ppm2      3.713
 OR { 4564}
   (( segid PTB  and resid  170 and name HB2 ))
   (( segid PTB  and resid  170 and name HA  ))
 ASSI { 4650}
   (( segid PTB  and resid   87 and name HD1 )
     OR 
    ( segid PTB  and resid   87 and name HD2 ))
   (( segid PTB  and resid   87 and name HA  ))
      2.700     0.900     0.900 peak  4650 weight  0.10000E+01 volume  0.14242E+01 ppm1      6.449 ppm2      4.792
 ASSI { 4657}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  113 and name HA  ))
      2.400     2.400     2.100 peak  4657 weight  0.10000E+01 volume  0.30408E+01 ppm1      3.235 ppm2      4.279
 OR { 4657}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  113 and name HA  ))
 ASSI { 4672}
   (( segid PTB  and resid  113 and name HB1 ))
   (( segid PTB  and resid  113 and name HA  ))
      2.300     0.800     0.800 peak  4672 weight  0.10000E+01 volume  0.35723E+01 ppm1      1.832 ppm2      4.280
 ASSI { 4718}
   (( segid PTB  and resid  181 and name HB2 ))
   (( segid PTB  and resid  181 and name HA  ))
      2.200     0.800     0.800 peak  4718 weight  0.10000E+01 volume  0.47558E+01 ppm1      1.931 ppm2      4.596
 ASSI { 4720}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  181 and name HA  ))
      2.300     0.800     0.800 peak  4720 weight  0.10000E+01 volume  0.37765E+01 ppm1      1.866 ppm2      4.595
 ASSI { 4743}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid   83 and name HA  ))
      2.400     0.800     0.800 peak  4743 weight  0.10000E+01 volume  0.29837E+01 ppm1      6.975 ppm2      5.027
 ASSI { 4752}
   (( segid PTB  and resid   83 and name HB1 ))
   (( segid PTB  and resid   83 and name HA  ))
      2.500     0.900     0.900 peak  4752 weight  0.10000E+01 volume  0.20238E+01 ppm1      2.923 ppm2      5.028
 ASSI { 4756}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  111 and name HA  ))
      2.400     2.400     2.100 peak  4756 weight  0.10000E+01 volume  0.26216E+01 ppm1      2.440 ppm2      4.379
 ASSI { 4757}
   (( segid PTB  and resid  111 and name HB1 ))
   (( segid PTB  and resid  111 and name HA  ))
      2.300     0.800     0.800 peak  4757 weight  0.10000E+01 volume  0.40251E+01 ppm1      2.265 ppm2      4.378
 ASSI { 4758}
   (( segid PTB  and resid  111 and name HB2 ))
   (( segid PTB  and resid  111 and name HA  ))
      2.400     0.800     0.800 peak  4758 weight  0.10000E+01 volume  0.27142E+01 ppm1      2.124 ppm2      4.381
 ASSI { 4760}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  158 and name HA  ))
      2.500     0.900     0.900 peak  4760 weight  0.10000E+01 volume  0.22140E+01 ppm1      1.840 ppm2      4.754
 OR { 4760}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  158 and name HA  ))
 OR { 4760}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  158 and name HA  ))
 ASSI { 4766}
   (( segid PTB  and resid  181 and name HG1 ))
   (( segid PTB  and resid  181 and name HA  ))
      2.400     0.800     0.800 peak  4766 weight  0.10000E+01 volume  0.28480E+01 ppm1      1.389 ppm2      4.599
 OR { 4766}
   (( segid PTB  and resid  181 and name HG2 ))
   (( segid PTB  and resid  181 and name HA  ))
 ASSI { 4792}
   (( segid PTB  and resid  173 and name HN  ))
   (( segid PTB  and resid  172 and name HA  ))
      2.500     0.900     0.900 peak  4792 weight  0.10000E+01 volume  0.24325E+01 ppm1      9.202 ppm2      5.294
 ASSI { 4812}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid  111 and name HA  ))
      2.300     2.300     2.200 peak  4812 weight  0.10000E+01 volume  0.37959E+01 ppm1      1.840 ppm2      4.389
 OR { 4812}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  111 and name HA  ))
 ASSI { 4815}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  194 and name HA  ))
      2.200     0.800     0.800 peak  4815 weight  0.10000E+01 volume  0.48566E+01 ppm1      1.277 ppm2      3.608
 ASSI { 4817}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  194 and name HA  ))
      2.400     0.800     0.800 peak  4817 weight  0.10000E+01 volume  0.26403E+01 ppm1      1.023 ppm2      3.613
 ASSI { 4862}
   (( segid PTB  and resid  119 and name HA2 ))
   (( segid PTB  and resid  118 and name HA  ))
      2.200     2.200     2.300 peak  4862 weight  0.10000E+01 volume  0.54531E+01 ppm1      4.701 ppm2      4.986
 ASSI { 4873}
   (( segid PTB  and resid   66 and name HD1 ))
   (( segid PTB  and resid   65 and name HA  ))
      2.400     0.800     0.800 peak  4873 weight  0.10000E+01 volume  0.32376E+01 ppm1      3.611 ppm2      4.404
 OR { 4873}
   (( segid PTB  and resid   66 and name HD2 ))
   (( segid PTB  and resid   65 and name HA  ))
 ASSI { 4892}
   (( segid PTB  and resid   65 and name HB1 ))
   (( segid PTB  and resid   65 and name HA  ))
      2.300     0.800     0.800 peak  4892 weight  0.10000E+01 volume  0.40598E+01 ppm1      1.620 ppm2      4.396
 OR { 4892}
   (( segid PTB  and resid   65 and name HB2 ))
   (( segid PTB  and resid   65 and name HA  ))
 ASSI { 4894}
   (( segid PTB  and resid   86 and name HB1 ))
   (( segid PTB  and resid   86 and name HA  ))
      2.500     0.900     0.900 peak  4894 weight  0.10000E+01 volume  0.20281E+01 ppm1      1.504 ppm2      5.023
 ASSI { 4898}
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
   (( segid PTB  and resid  196 and name HA  ))
      2.500     0.900     0.900 peak  4898 weight  0.10000E+01 volume  0.22917E+01 ppm1      0.949 ppm2      4.199
 ASSI { 4899}
   (( segid PTB  and resid  128 and name HA  ))
   (( segid PTB  and resid  123 and name HA  ))
      2.900     1.000     1.000 peak  4899 weight  0.10000E+01 volume  0.88476E+00 ppm1      5.316 ppm2      4.293
 ASSI { 4911}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   65 and name HG1 ))
      2.900     1.000     1.000 peak  4911 weight  0.10000E+01 volume  0.10097E+01 ppm1      4.405 ppm2      1.219
 ASSI { 4919}
   (( segid PTB  and resid   70 and name HG2 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      3.000     1.000     1.000 peak  4919 weight  0.10000E+01 volume  0.80958E+00 ppm1      2.399 ppm2      1.521
 OR { 4919}
   (( segid PTB  and resid   70 and name HG1 ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
 ASSI { 4929}
   (( segid PTB  and resid   74 and name HA  ))
   (( segid PTB  and resid   77 and name HB2 ))
      2.600     0.900     0.900 peak  4929 weight  0.10000E+01 volume  0.18006E+01 ppm1      4.000 ppm2      1.815
 ASSI {   57}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid   76 and name HB  ))
      2.900     1.700     1.700 peak    57 weight  0.10000E+01 volume  0.13851E+01 ppm1      0.586 ppm2      2.137
 ASSI {  136}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  114 and name HB2 ))
      3.000     1.800     1.800 peak   136 weight  0.10000E+01 volume  0.12014E+01 ppm1      3.239 ppm2      1.709
 OR {  136}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  114 and name HB2 ))
 OR {  136}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  114 and name HB1 ))
 OR {  136}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  114 and name HB1 ))
 ASSI {  191}
   (( segid PTB  and resid  154 and name HA  ))
   (( segid PTB  and resid  154 and name HB1 ))
      2.700     1.500     1.500 peak   191 weight  0.10000E+01 volume  0.22523E+01 ppm1      4.115 ppm2      1.846
 OR {  191}
   (( segid PTB  and resid  154 and name HA  ))
   (( segid PTB  and resid  154 and name HB2 ))
 ASSI {  193}
   (( segid PTB  and resid  154 and name HD1 ))
   (( segid PTB  and resid  154 and name HB1 ))
      2.800     1.600     1.600 peak   193 weight  0.10000E+01 volume  0.17670E+01 ppm1      3.151 ppm2      1.876
 OR {  193}
   (( segid PTB  and resid  154 and name HD1 ))
   (( segid PTB  and resid  154 and name HB2 ))
 ASSI {  228}
   (( segid PTB  and resid  201 and name HD1 ))
   (( segid PTB  and resid  201 and name HB2 ))
      3.100     1.900     1.900 peak   228 weight  0.10000E+01 volume  0.90000E+00 ppm1      3.157 ppm2      2.013
 OR {  228}
   (( segid PTB  and resid  201 and name HD1 ))
   (( segid PTB  and resid  201 and name HB1 ))
 OR {  228}
   (( segid PTB  and resid  201 and name HD2 ))
   (( segid PTB  and resid  201 and name HB2 ))
 OR {  228}
   (( segid PTB  and resid  201 and name HD2 ))
   (( segid PTB  and resid  201 and name HB1 ))
 ASSI {  229}
   (( segid PTB  and resid  134 and name HB1 ))
   (( segid PTB  and resid  118 and name HB1 ))
      2.900     1.700     1.700 peak   229 weight  0.10000E+01 volume  0.13325E+01 ppm1      2.209 ppm2      1.770
 OR {  229}
   (( segid PTB  and resid  134 and name HB2 ))
   (( segid PTB  and resid  118 and name HB1 ))
 ASSI {  246}
   (( segid PTB  and resid   77 and name HA  ))
   (( segid PTB  and resid   77 and name HB2 ))
      2.900     1.700     1.700 peak   246 weight  0.10000E+01 volume  0.14871E+01 ppm1      3.895 ppm2      1.908
 ASSI {  278}
   (( segid PTB  and resid   77 and name HD2 ))
   (( segid PTB  and resid   77 and name HB1 ))
      2.900     1.700     1.700 peak   278 weight  0.10000E+01 volume  0.12524E+01 ppm1      3.085 ppm2      1.733
 OR {  278}
   (( segid PTB  and resid   77 and name HD1 ))
   (( segid PTB  and resid   77 and name HB1 ))
 ASSI {  285}
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
   (( segid PTB  and resid  107 and name HD1 ))
      2.900     1.700     1.700 peak   285 weight  0.10000E+01 volume  0.13917E+01 ppm1      1.062 ppm2      1.678
 ASSI {  286}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid   77 and name HG1 ))
      3.000     1.800     1.800 peak   286 weight  0.10000E+01 volume  0.12224E+01 ppm1      1.032 ppm2      1.544
 OR {  286}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid   77 and name HG2 ))
 OR {  286}
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
   (( segid PTB  and resid   77 and name HG1 ))
 ASSI {  295}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  107 and name HD1 ))
      2.900     1.700     1.700 peak   295 weight  0.10000E+01 volume  0.13323E+01 ppm1      3.890 ppm2      1.687
 ASSI {  305}
   (( segid PTB  and resid  158 and name HB1 ))
   (( segid PTB  and resid  157 and name HB1 ))
      2.700     1.500     1.500 peak   305 weight  0.10000E+01 volume  0.19432E+01 ppm1      1.855 ppm2      2.135
 OR {  305}
   (( segid PTB  and resid  158 and name HB2 ))
   (( segid PTB  and resid  157 and name HB1 ))
 OR {  305}
   (( segid PTB  and resid  158 and name HG2 ))
   (( segid PTB  and resid  157 and name HB1 ))
 OR {  305}
   (( segid PTB  and resid  158 and name HG1 ))
   (( segid PTB  and resid  157 and name HB1 ))
 ASSI {  307}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid   86 and name HD2 ))
      2.800     1.600     1.600 peak   307 weight  0.10000E+01 volume  0.16191E+01 ppm1      1.825 ppm2      1.585
 OR {  307}
   (( segid PTB  and resid   86 and name HB2 ))
   (( segid PTB  and resid   86 and name HD1 ))
 ASSI {  330}
   (( segid PTB  and resid  157 and name HB1 ))
   (( segid PTB  and resid  158 and name HB1 ))
      2.800     1.600     1.600 peak   330 weight  0.10000E+01 volume  0.16372E+01 ppm1      2.188 ppm2      1.775
 OR {  330}
   (( segid PTB  and resid  157 and name HB1 ))
   (( segid PTB  and resid  158 and name HB2 ))
 ASSI {  336}
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
   (( segid PTB  and resid  110 and name HG2 ))
      3.000     1.800     1.800 peak   336 weight  0.10000E+01 volume  0.12018E+01 ppm1      0.613 ppm2      1.449
 OR {  336}
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
   (( segid PTB  and resid  110 and name HG1 ))
 OR {  336}
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
   (( segid PTB  and resid  110 and name HG2 ))
 ASSI {  366}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  110 and name HG1 ))
      2.900     1.700     1.700 peak   366 weight  0.10000E+01 volume  0.12954E+01 ppm1      2.969 ppm2      1.453
 OR {  366}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  110 and name HG2 ))
 ASSI {  396}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   65 and name HD1 ))
      2.900     1.700     1.700 peak   396 weight  0.10000E+01 volume  0.13493E+01 ppm1      4.399 ppm2      1.578
 OR {  396}
   (( segid PTB  and resid   65 and name HA  ))
   (( segid PTB  and resid   65 and name HD2 ))
 ASSI {  400}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  181 and name HD1 ))
      2.800     1.600     1.600 peak   400 weight  0.10000E+01 volume  0.15958E+01 ppm1      4.000 ppm2      1.760
 OR {  400}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  181 and name HD2 ))
 OR {  400}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  181 and name HD1 ))
 OR {  400}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  181 and name HD2 ))
 ASSI {  403}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  113 and name HB1 ))
      2.800     1.600     1.600 peak   403 weight  0.10000E+01 volume  0.18709E+01 ppm1      3.226 ppm2      1.815
 OR {  403}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  113 and name HB1 ))
 ASSI {  435}
   (( segid PTB  and resid  145 and name HA  ))
   (( segid PTB  and resid  145 and name HB1 ))
      2.800     1.600     1.600 peak   435 weight  0.10000E+01 volume  0.15978E+01 ppm1      3.926 ppm2      2.103
 ASSI {  436}
   (( segid PTB  and resid  113 and name HD1 ))
   (( segid PTB  and resid  113 and name HB2 ))
      2.700     1.500     1.500 peak   436 weight  0.10000E+01 volume  0.20454E+01 ppm1      3.230 ppm2      2.030
 OR {  436}
   (( segid PTB  and resid  113 and name HD2 ))
   (( segid PTB  and resid  113 and name HB2 ))
 ASSI {  440}
   (( segid PTB  and resid  110 and name HB1 ))
   (( segid PTB  and resid  111 and name HB1 ))
      2.800     1.600     1.600 peak   440 weight  0.10000E+01 volume  0.15724E+01 ppm1      1.853 ppm2      2.196
 OR {  440}
   (( segid PTB  and resid  110 and name HB2 ))
   (( segid PTB  and resid  111 and name HB1 ))
 ASSI {  441}
   (( segid PTB  and resid  107 and name HD1 ))
   (( segid PTB  and resid  111 and name HB1 ))
      2.800     1.600     1.600 peak   441 weight  0.10000E+01 volume  0.15771E+01 ppm1      1.716 ppm2      2.201
 ASSI {  443}
   (( segid PTB  and resid  181 and name HG1 ))
   (( segid PTB  and resid  181 and name HD1 ))
      1.900     0.700     0.700 peak   443 weight  0.10000E+01 volume  0.15747E+02 ppm1      1.402 ppm2      1.714
 OR {  443}
   (( segid PTB  and resid  181 and name HG1 ))
   (( segid PTB  and resid  181 and name HD2 ))
 OR {  443}
   (( segid PTB  and resid  181 and name HG2 ))
   (( segid PTB  and resid  181 and name HD2 ))
 OR {  443}
   (( segid PTB  and resid  181 and name HG2 ))
   (( segid PTB  and resid  181 and name HD1 ))
 ASSI {  444}
   (( segid PTB  and resid  107 and name HG2 ))
   (( segid PTB  and resid  111 and name HB1 ))
      2.900     1.700     1.700 peak   444 weight  0.10000E+01 volume  0.14351E+01 ppm1      1.326 ppm2      2.235
 OR {  444}
   (( segid PTB  and resid  107 and name HG1 ))
   (( segid PTB  and resid  111 and name HB1 ))
 ASSI {  464}
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
   (( segid PTB  and resid  136 and name HB1 ))
      2.900     1.700     1.700 peak   464 weight  0.10000E+01 volume  0.13026E+01 ppm1      0.809 ppm2      2.013
 ASSI {  496}
   (( segid PTB  and resid   70 and name HA  ))
   (( segid PTB  and resid   70 and name HB2 ))
      2.500     1.300     1.300 peak   496 weight  0.10000E+01 volume  0.35274E+01 ppm1      4.186 ppm2      2.135
 ASSI {  500}
   (( segid PTB  and resid  136 and name HE1 ))
   (( segid PTB  and resid  136 and name HD1 ))
      2.700     1.500     1.500 peak   500 weight  0.10000E+01 volume  0.21911E+01 ppm1      3.041 ppm2      1.607
 OR {  500}
   (( segid PTB  and resid  136 and name HE2 ))
   (( segid PTB  and resid  136 and name HD1 ))
 ASSI {  507}
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
   (( segid PTB  and resid  136 and name HD2 ))
      2.900     1.700     1.700 peak   507 weight  0.10000E+01 volume  0.13333E+01 ppm1      0.815 ppm2      1.729
 ASSI {  526}
   (( segid PTB  and resid  158 and name HD2 ))
   (( segid PTB  and resid  158 and name HG2 ))
      2.800     1.600     1.600 peak   526 weight  0.10000E+01 volume  0.15383E+01 ppm1      3.179 ppm2      1.806
 OR {  526}
   (( segid PTB  and resid  158 and name HD2 ))
   (( segid PTB  and resid  158 and name HG1 ))
 OR {  526}
   (( segid PTB  and resid  158 and name HD1 ))
   (( segid PTB  and resid  158 and name HG1 ))
 OR {  526}
   (( segid PTB  and resid  158 and name HD1 ))
   (( segid PTB  and resid  158 and name HG2 ))
 ASSI {  535}
   (( segid PTB  and resid  136 and name HB2 ))
   (( segid PTB  and resid  136 and name HD2 ))
      2.900     1.700     1.700 peak   535 weight  0.10000E+01 volume  0.14028E+01 ppm1      2.233 ppm2      1.714
 ASSI {  542}
   (( segid PTB  and resid   86 and name HG2 ))
   (( segid PTB  and resid  118 and name HG1 ))
      2.700     1.500     1.500 peak   542 weight  0.10000E+01 volume  0.20821E+01 ppm1      1.247 ppm2      1.708
 OR {  542}
   (( segid PTB  and resid   86 and name HG1 ))
   (( segid PTB  and resid  118 and name HG1 ))
 OR {  542}
   (( segid PTB  and resid   86 and name HG2 ))
   (( segid PTB  and resid  118 and name HG2 ))
 OR {  542}
   (( segid PTB  and resid   86 and name HG1 ))
   (( segid PTB  and resid  118 and name HG2 ))
 ASSI {  543}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid  180 and name HB1 ))
      3.000     1.800     1.800 peak   543 weight  0.10000E+01 volume  0.12213E+01 ppm1      0.891 ppm2      2.639
 OR {  543}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid  180 and name HB1 ))
 ASSI {  568}
   (( segid PTB  and resid  201 and name HD2 ))
   (( segid PTB  and resid  201 and name HG1 ))
      2.700     1.500     1.500 peak   568 weight  0.10000E+01 volume  0.20057E+01 ppm1      3.138 ppm2      1.737
 OR {  568}
   (( segid PTB  and resid  201 and name HD1 ))
   (( segid PTB  and resid  201 and name HG1 ))
 OR {  568}
   (( segid PTB  and resid  201 and name HD1 ))
   (( segid PTB  and resid  201 and name HG2 ))
 OR {  568}
   (( segid PTB  and resid  201 and name HD2 ))
   (( segid PTB  and resid  201 and name HG2 ))
 ASSI {  571}
   (( segid PTB  and resid   70 and name HG1 ))
   (( segid PTB  and resid   70 and name HB2 ))
      2.100     0.900     0.900 peak   571 weight  0.10000E+01 volume  0.90956E+01 ppm1      2.415 ppm2      2.106
 OR {  571}
   (( segid PTB  and resid   70 and name HG2 ))
   (( segid PTB  and resid   70 and name HB2 ))
 ASSI {  584}
   (( segid PTB  and resid  100 and name HB2 ))
   (( segid PTB  and resid  100 and name HB1 ))
      2.300     1.100     1.100 peak   584 weight  0.10000E+01 volume  0.58769E+01 ppm1      2.468 ppm2      2.100
 ASSI {  585}
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
   (( segid PTB  and resid   81 and name HB1 ))
      2.900     1.700     1.700 peak   585 weight  0.10000E+01 volume  0.12840E+01 ppm1      1.366 ppm2      3.117
 ASSI {  587}
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
   (( segid PTB  and resid  100 and name HB1 ))
      2.800     1.600     1.600 peak   587 weight  0.10000E+01 volume  0.15562E+01 ppm1      0.872 ppm2      2.098
 ASSI {  599}
   (( segid PTB  and resid   81 and name HA  ))
   (( segid PTB  and resid   81 and name HB2 ))
      2.900     1.700     1.700 peak   599 weight  0.10000E+01 volume  0.13506E+01 ppm1      4.246 ppm2      2.205
 ASSI {  609}
   (( segid PTB  and resid  189 and name HB2 ))
   (( segid PTB  and resid  189 and name HB1 ))
      2.900     1.700     1.700 peak   609 weight  0.10000E+01 volume  0.14579E+01 ppm1      2.646 ppm2      3.342
 ASSI {  616}
   (( segid PTB  and resid  123 and name HB  ))
   (( segid PTB  and resid   81 and name HB1 ))
      3.000     1.800     1.800 peak   616 weight  0.10000E+01 volume  0.12123E+01 ppm1      1.834 ppm2      3.082
 ASSI {  617}
   (( segid GPPY and resid 7    and name HG  ))
   (( segid PTB  and resid  204 and name HG1 ))
      2.400     2.400     2.100 peak   617 weight  0.10000E+01 volume  0.41030E+01 ppm1      1.590 ppm2      1.817
 ASSI {  623}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid   81 and name HB1 ))
      2.900     1.700     1.700 peak   623 weight  0.10000E+01 volume  0.12591E+01 ppm1      0.994 ppm2      3.085
 ASSI {  652}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HG1 ))
      2.800     1.600     1.600 peak   652 weight  0.10000E+01 volume  0.17205E+01 ppm1      4.120 ppm2      1.811
 ASSI {  675}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  139 and name HG11))
      2.300     1.100     1.100 peak   675 weight  0.10000E+01 volume  0.49628E+01 ppm1      0.633 ppm2      1.368
 OR {  675}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  139 and name HG12))
 ASSI {  694}
   (( segid PTB  and resid   91 and name HA  ))
   (( segid PTB  and resid  114 and name HG1 ))
      2.600     1.400     1.400 peak   694 weight  0.10000E+01 volume  0.27407E+01 ppm1      4.385 ppm2      1.604
 OR {  694}
   (( segid PTB  and resid   91 and name HA  ))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI {  698}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HG1 ))
      2.700     1.500     1.500 peak   698 weight  0.10000E+01 volume  0.19472E+01 ppm1      4.100 ppm2      1.747
 OR {  698}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid PTB  and resid  204 and name HG2 ))
 ASSI {  699}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid  116 and name HG2 ))
      3.100     1.900     1.900 peak   699 weight  0.10000E+01 volume  0.90000E+00 ppm1      3.996 ppm2      1.968
 OR {  699}
   (( segid PTB  and resid   88 and name HA  ))
   (( segid PTB  and resid  116 and name HG1 ))
 ASSI {  756}
   (( segid PTB  and resid  112 and name HB2 ))
   (( segid PTB  and resid  113 and name HG1 ))
      2.900     1.700     1.700 peak   756 weight  0.10000E+01 volume  0.14561E+01 ppm1      3.961 ppm2      1.748
 OR {  756}
   (( segid PTB  and resid  112 and name HB2 ))
   (( segid PTB  and resid  113 and name HG2 ))
 ASSI {  781}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  114 and name HG1 ))
      2.300     2.300     2.200 peak   781 weight  0.10000E+01 volume  0.53665E+01 ppm1      0.851 ppm2      1.578
 OR {  781}
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
   (( segid PTB  and resid  114 and name HG2 ))
 ASSI {  892}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid  193 and name HB2 ))
      2.900     1.700     1.700 peak   892 weight  0.10000E+01 volume  0.12736E+01 ppm1      0.575 ppm2      2.592
 ASSI {  912}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid   86 and name HG2 ))
      2.600     1.400     1.400 peak   912 weight  0.10000E+01 volume  0.25520E+01 ppm1      1.640 ppm2      1.225
 OR {  912}
   (( segid PTB  and resid   86 and name HD1 ))
   (( segid PTB  and resid   86 and name HG1 ))
 OR {  912}
   (( segid PTB  and resid   86 and name HD2 ))
   (( segid PTB  and resid   86 and name HG1 ))
 OR {  912}
   (( segid PTB  and resid   86 and name HD2 ))
   (( segid PTB  and resid   86 and name HG2 ))
 ASSI {  920}
   (( segid PTB  and resid   76 and name HG11)
     OR 
    ( segid PTB  and resid   76 and name HG13)
     OR 
    ( segid PTB  and resid   76 and name HG12))
   (( segid PTB  and resid  193 and name HB1 ))
      2.900     1.700     1.700 peak   920 weight  0.10000E+01 volume  0.12947E+01 ppm1      0.589 ppm2      3.082
 ASSI {  931}
   (( segid PTB  and resid  138 and name HA  ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.700     1.500     1.500 peak   931 weight  0.10000E+01 volume  0.22597E+01 ppm1      4.553 ppm2      0.847
 ASSI {  937}
   (( segid PTB  and resid  176 and name HA2 ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.900     1.700     1.700 peak   937 weight  0.10000E+01 volume  0.12431E+01 ppm1      3.115 ppm2      0.503
 ASSI {  938}
   (( segid PTB  and resid  176 and name HA2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.900     1.700     1.700 peak   938 weight  0.10000E+01 volume  0.13582E+01 ppm1      3.089 ppm2      0.591
 ASSI {  941}
   (( segid PTB  and resid  141 and name HB1 ))
   (( segid PTB  and resid  138 and name HD21)
     OR 
    ( segid PTB  and resid  138 and name HD23)
     OR 
    ( segid PTB  and resid  138 and name HD22))
      2.700     1.500     1.500 peak   941 weight  0.10000E+01 volume  0.21510E+01 ppm1      2.857 ppm2      0.851
 ASSI {  952}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.300     1.100     1.100 peak   952 weight  0.10000E+01 volume  0.53867E+01 ppm1      1.384 ppm2      0.589
 OR {  952}
   (( segid PTB  and resid   88 and name HB2 ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
 ASSI {  957}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  193 and name HB2 ))
      2.800     1.600     1.600 peak   957 weight  0.10000E+01 volume  0.15890E+01 ppm1      0.997 ppm2      2.595
 ASSI {  973}
   (( segid PTB  and resid  187 and name HA  ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.700     1.500     1.500 peak   973 weight  0.10000E+01 volume  0.19033E+01 ppm1      2.695 ppm2      0.138
 ASSI { 1001}
   (( segid PTB  and resid  159 and name HA2 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      2.900     1.700     1.700 peak  1001 weight  0.10000E+01 volume  0.15227E+01 ppm1      3.573 ppm2      0.882
 OR { 1001}
   (( segid PTB  and resid  159 and name HA1 ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
 ASSI { 1024}
   (( segid PTB  and resid  121 and name HD21)
     OR 
    ( segid PTB  and resid  121 and name HD23)
     OR 
    ( segid PTB  and resid  121 and name HD22))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.700     1.500     1.500 peak  1024 weight  0.10000E+01 volume  0.23070E+01 ppm1      0.144 ppm2      0.261
 ASSI { 1030}
   (( segid PTB  and resid  107 and name HA  ))
   (( segid PTB  and resid  107 and name HG2 ))
      2.800     1.600     1.600 peak  1030 weight  0.10000E+01 volume  0.18177E+01 ppm1      3.883 ppm2      1.318
 ASSI { 1036}
   (( segid PTB  and resid   97 and name HD2 ))
   (( segid PTB  and resid   97 and name HG1 ))
      2.800     1.600     1.600 peak  1036 weight  0.10000E+01 volume  0.15879E+01 ppm1      3.023 ppm2      1.321
 OR { 1036}
   (( segid PTB  and resid   97 and name HD2 ))
   (( segid PTB  and resid   97 and name HG2 ))
 OR { 1036}
   (( segid PTB  and resid   97 and name HD1 ))
   (( segid PTB  and resid   97 and name HG2 ))
 OR { 1036}
   (( segid PTB  and resid   97 and name HD1 ))
   (( segid PTB  and resid   97 and name HG1 ))
 ASSI { 1038}
   (( segid PTB  and resid  107 and name HE1 ))
   (( segid PTB  and resid  107 and name HG1 ))
      2.800     1.600     1.600 peak  1038 weight  0.10000E+01 volume  0.16717E+01 ppm1      2.939 ppm2      1.340
 OR { 1038}
   (( segid PTB  and resid  107 and name HE1 ))
   (( segid PTB  and resid  107 and name HG2 ))
 ASSI { 1043}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  202 and name HG2 ))
      2.400     1.200     1.200 peak  1043 weight  0.10000E+01 volume  0.41542E+01 ppm1      2.005 ppm2      1.550
 OR { 1043}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  202 and name HG2 ))
 OR { 1043}
   (( segid PTB  and resid  202 and name HB1 ))
   (( segid PTB  and resid  202 and name HG1 ))
 OR { 1043}
   (( segid PTB  and resid  202 and name HB2 ))
   (( segid PTB  and resid  202 and name HG1 ))
 ASSI { 1050}
   (( segid PTB  and resid  144 and name HB  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.900     1.700     1.700 peak  1050 weight  0.10000E+01 volume  0.14887E+01 ppm1      1.635 ppm2      0.301
 OR { 1050}
   (( segid PTB  and resid  144 and name HG11))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
 ASSI { 1062}
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
      1.700     0.600     0.600 peak  1062 weight  0.10000E+01 volume  0.32731E+02 ppm1      0.758 ppm2      0.852
 ASSI { 1096}
   (( segid GPPY and resid 3    and name HB  ))
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
      2.300     1.100     1.100 peak  1096 weight  0.10000E+01 volume  0.53079E+01 ppm1      1.928 ppm2      0.947
 ASSI { 1127}
   (( segid PTB  and resid   65 and name HE2 ))
   (( segid PTB  and resid   65 and name HG2 ))
      2.700     1.500     1.500 peak  1127 weight  0.10000E+01 volume  0.20581E+01 ppm1      2.861 ppm2      1.311
 OR { 1127}
   (( segid PTB  and resid   65 and name HE1 ))
   (( segid PTB  and resid   65 and name HG2 ))
 ASSI { 1145}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  181 and name HG1 ))
      2.800     1.600     1.600 peak  1145 weight  0.10000E+01 volume  0.17598E+01 ppm1      3.982 ppm2      1.386
 OR { 1145}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR { 1145}
   (( segid PTB  and resid   84 and name HB2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 OR { 1145}
   (( segid PTB  and resid   84 and name HB1 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 1146}
   (( segid PTB  and resid  181 and name HE1 ))
   (( segid PTB  and resid  181 and name HG2 ))
      2.400     1.200     1.200 peak  1146 weight  0.10000E+01 volume  0.41240E+01 ppm1      3.054 ppm2      1.394
 OR { 1146}
   (( segid PTB  and resid  181 and name HE1 ))
   (( segid PTB  and resid  181 and name HG1 ))
 OR { 1146}
   (( segid PTB  and resid  181 and name HE2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 1148}
   (( segid PTB  and resid  141 and name HB1 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.800     1.600     1.600 peak  1148 weight  0.10000E+01 volume  0.16849E+01 ppm1      2.883 ppm2      0.856
 ASSI { 1151}
   (( segid PTB  and resid  181 and name HB2 ))
   (( segid PTB  and resid  181 and name HG2 ))
      2.400     1.200     1.200 peak  1151 weight  0.10000E+01 volume  0.43605E+01 ppm1      1.928 ppm2      1.395
 OR { 1151}
   (( segid PTB  and resid  181 and name HB2 ))
   (( segid PTB  and resid  181 and name HG1 ))
 ASSI { 1152}
   (( segid PTB  and resid  131 and name HB  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.900     1.700     1.700 peak  1152 weight  0.10000E+01 volume  0.14261E+01 ppm1      1.931 ppm2      0.863
 ASSI { 1156}
   (( segid PTB  and resid  138 and name HB1 ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.000     0.800     0.800 peak  1156 weight  0.10000E+01 volume  0.11306E+02 ppm1      1.540 ppm2      0.860
 ASSI { 1159}
   (( segid PTB  and resid  139 and name HG11))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.500     1.300     1.300 peak  1159 weight  0.10000E+01 volume  0.34034E+01 ppm1      1.332 ppm2      0.863
 OR { 1159}
   (( segid PTB  and resid  139 and name HG12))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
 ASSI { 1177}
   (( segid PTB  and resid  147 and name HA  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.900     1.700     1.700 peak  1177 weight  0.10000E+01 volume  0.13207E+01 ppm1      4.467 ppm2      1.384
 ASSI { 1181}
   (( segid PTB  and resid  162 and name HB1 ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.800     1.600     1.600 peak  1181 weight  0.10000E+01 volume  0.15670E+01 ppm1      2.675 ppm2      1.382
 ASSI { 1182}
   (( segid PTB  and resid  147 and name HB  ))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.800     1.600     1.600 peak  1182 weight  0.10000E+01 volume  0.18015E+01 ppm1      2.450 ppm2      1.398
 ASSI { 1188}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
      2.500     1.300     1.300 peak  1188 weight  0.10000E+01 volume  0.36255E+01 ppm1      0.782 ppm2      0.308
 ASSI { 1193}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  147 and name HG11)
     OR 
    ( segid PTB  and resid  147 and name HG13)
     OR 
    ( segid PTB  and resid  147 and name HG12))
      2.800     1.600     1.600 peak  1193 weight  0.10000E+01 volume  0.17456E+01 ppm1      0.302 ppm2      1.380
 ASSI { 1200}
   (( segid PTB  and resid   82 and name HB1 ))
   (( segid PTB  and resid  120 and name HD21)
     OR 
    ( segid PTB  and resid  120 and name HD23)
     OR 
    ( segid PTB  and resid  120 and name HD22))
      2.500     1.300     1.300 peak  1200 weight  0.10000E+01 volume  0.31263E+01 ppm1      3.008 ppm2      0.719
 ASSI { 1228}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.700     1.500     1.500 peak  1228 weight  0.10000E+01 volume  0.21933E+01 ppm1      2.395 ppm2      0.819
 OR { 1228}
   (( segid PTB  and resid  104 and name HG1 ))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
 ASSI { 1236}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.900     1.700     1.700 peak  1236 weight  0.10000E+01 volume  0.14462E+01 ppm1      1.277 ppm2      0.692
 ASSI { 1237}
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
      2.700     1.500     1.500 peak  1237 weight  0.10000E+01 volume  0.19011E+01 ppm1      1.003 ppm2      0.819
 ASSI { 1259}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
      2.300     1.100     1.100 peak  1259 weight  0.10000E+01 volume  0.62263E+01 ppm1      1.473 ppm2      0.996
 ASSI { 1335}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.900     1.700     1.700 peak  1335 weight  0.10000E+01 volume  0.12842E+01 ppm1      3.175 ppm2      0.426
 OR { 1335}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1345}
   (( segid PTB  and resid  178 and name HB1 ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      2.500     1.300     1.300 peak  1345 weight  0.10000E+01 volume  0.36258E+01 ppm1      1.404 ppm2      0.594
 ASSI { 1347}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.800     1.600     1.600 peak  1347 weight  0.10000E+01 volume  0.18382E+01 ppm1      1.314 ppm2      0.422
 OR { 1347}
   (( segid PTB  and resid   88 and name HB2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
 ASSI { 1369}
   (( segid PTB  and resid  159 and name HA2 ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      2.800     1.600     1.600 peak  1369 weight  0.10000E+01 volume  0.18191E+01 ppm1      3.603 ppm2      0.591
 OR { 1369}
   (( segid PTB  and resid  159 and name HA1 ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
 ASSI { 1374}
   (( segid PTB  and resid  121 and name HB2 ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
      2.400     1.200     1.200 peak  1374 weight  0.10000E+01 volume  0.39498E+01 ppm1      1.837 ppm2      0.607
 OR { 1374}
   (( segid PTB  and resid  121 and name HB1 ))
   (( segid PTB  and resid  121 and name HD11)
     OR 
    ( segid PTB  and resid  121 and name HD13)
     OR 
    ( segid PTB  and resid  121 and name HD12))
 ASSI { 1375}
   (( segid PTB  and resid  173 and name HB1 ))
   (( segid PTB  and resid  169 and name HB  ))
      2.900     1.700     1.700 peak  1375 weight  0.10000E+01 volume  0.14612E+01 ppm1      1.652 ppm2      4.292
 OR { 1375}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid  169 and name HB  ))
 ASSI { 1395}
   (( segid PTB  and resid   99 and name HG2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.900     1.700     1.700 peak  1395 weight  0.10000E+01 volume  0.14199E+01 ppm1      2.880 ppm2      1.572
 ASSI { 1414}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
      2.300     1.100     1.100 peak  1414 weight  0.10000E+01 volume  0.53717E+01 ppm1      1.004 ppm2      0.605
 ASSI { 1432}
   (( segid PTB  and resid  159 and name HA1 ))
   (( segid PTB  and resid  178 and name HG  ))
      2.800     1.600     1.600 peak  1432 weight  0.10000E+01 volume  0.17435E+01 ppm1      3.560 ppm2      1.553
 OR { 1432}
   (( segid PTB  and resid  159 and name HA2 ))
   (( segid PTB  and resid  178 and name HG  ))
 ASSI { 1434}
   (( segid PTB  and resid  102 and name HB1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.000     1.800     1.800 peak  1434 weight  0.10000E+01 volume  0.12279E+01 ppm1      3.176 ppm2      1.575
 ASSI { 1438}
   (( segid PTB  and resid  104 and name HB1 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.900     1.700     1.700 peak  1438 weight  0.10000E+01 volume  0.13726E+01 ppm1      2.109 ppm2      1.094
 OR { 1438}
   (( segid PTB  and resid  104 and name HB2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
 ASSI { 1439}
   (( segid GPPY and resid 5    and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      2.700     1.500     1.500 peak  1439 weight  0.10000E+01 volume  0.21028E+01 ppm1      2.027 ppm2      1.571
 ASSI { 1442}
   (( segid PTB  and resid  107 and name HD2 ))
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
      2.900     1.700     1.700 peak  1442 weight  0.10000E+01 volume  0.12477E+01 ppm1      1.608 ppm2      1.087
 ASSI { 1449}
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.800     1.600     1.600 peak  1449 weight  0.10000E+01 volume  0.17594E+01 ppm1     -0.082 ppm2      0.951
 ASSI { 1471}
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.700     1.500     1.500 peak  1471 weight  0.10000E+01 volume  0.21036E+01 ppm1      1.152 ppm2      0.927
 ASSI { 1498}
   (( segid PTB  and resid   77 and name HB1 ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.800     1.600     1.600 peak  1498 weight  0.10000E+01 volume  0.17998E+01 ppm1      1.751 ppm2      1.019
 ASSI { 1499}
   (( segid PTB  and resid  139 and name HB  ))
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
      2.500     1.300     1.300 peak  1499 weight  0.10000E+01 volume  0.37467E+01 ppm1      1.747 ppm2      0.900
 ASSI { 1524}
   (( segid PTB  and resid  200 and name HB2 ))
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
      2.900     1.700     1.700 peak  1524 weight  0.10000E+01 volume  0.14169E+01 ppm1      2.366 ppm2      1.024
 ASSI { 1528}
   (( segid PTB  and resid   88 and name HB1 ))
   (( segid PTB  and resid   88 and name HG  ))
      2.800     1.600     1.600 peak  1528 weight  0.10000E+01 volume  0.15854E+01 ppm1      1.295 ppm2      1.027
 OR { 1528}
   (( segid PTB  and resid   88 and name HB2 ))
   (( segid PTB  and resid   88 and name HG  ))
 ASSI { 1553}
   (( segid PTB  and resid  116 and name HA  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.600     1.400     1.400 peak  1553 weight  0.10000E+01 volume  0.24611E+01 ppm1      4.510 ppm2      0.634
 ASSI { 1559}
   (( segid PTB  and resid  145 and name HB2 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.700     1.500     1.500 peak  1559 weight  0.10000E+01 volume  0.20493E+01 ppm1      2.023 ppm2      1.376
 ASSI { 1572}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.600     1.400     1.400 peak  1572 weight  0.10000E+01 volume  0.25270E+01 ppm1      1.071 ppm2      0.636
 OR { 1572}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1600}
   (( segid PTB  and resid  170 and name HD2 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.900     1.700     1.700 peak  1600 weight  0.10000E+01 volume  0.14052E+01 ppm1      3.139 ppm2      1.184
 OR { 1600}
   (( segid PTB  and resid  170 and name HD1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
 ASSI { 1603}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.900     1.700     1.700 peak  1603 weight  0.10000E+01 volume  0.12490E+01 ppm1      2.414 ppm2      0.937
 ASSI { 1605}
   (( segid PTB  and resid  145 and name HG1 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.700     1.500     1.500 peak  1605 weight  0.10000E+01 volume  0.21010E+01 ppm1      2.308 ppm2      1.371
 OR { 1605}
   (( segid PTB  and resid  145 and name HG2 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
 ASSI { 1608}
   (( segid PTB  and resid  145 and name HB1 ))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.800     1.600     1.600 peak  1608 weight  0.10000E+01 volume  0.16378E+01 ppm1      2.133 ppm2      1.369
 ASSI { 1613}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
      2.600     1.400     1.400 peak  1613 weight  0.10000E+01 volume  0.28050E+01 ppm1      1.541 ppm2      1.086
 ASSI { 1622}
   (( segid PTB  and resid  147 and name HG21)
     OR 
    ( segid PTB  and resid  147 and name HG23)
     OR 
    ( segid PTB  and resid  147 and name HG22))
   (( segid PTB  and resid  143 and name HG21)
     OR 
    ( segid PTB  and resid  143 and name HG23)
     OR 
    ( segid PTB  and resid  143 and name HG22))
      2.700     1.500     1.500 peak  1622 weight  0.10000E+01 volume  0.21943E+01 ppm1      0.916 ppm2      1.367
 ASSI { 1625}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.700     1.500     1.500 peak  1625 weight  0.10000E+01 volume  0.20267E+01 ppm1      0.629 ppm2      1.162
 ASSI { 1626}
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.900     1.700     1.700 peak  1626 weight  0.10000E+01 volume  0.14749E+01 ppm1      0.435 ppm2      0.621
 OR { 1626}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
 ASSI { 1642}
   (( segid PTB  and resid  136 and name HA  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.800     1.600     1.600 peak  1642 weight  0.10000E+01 volume  0.15613E+01 ppm1      4.112 ppm2      0.915
 ASSI { 1645}
   (( segid PTB  and resid  112 and name HB2 ))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      3.000     1.800     1.800 peak  1645 weight  0.10000E+01 volume  0.12251E+01 ppm1      3.971 ppm2      0.928
 ASSI { 1648}
   (( segid PTB  and resid   87 and name HB1 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.800     1.600     1.600 peak  1648 weight  0.10000E+01 volume  0.16597E+01 ppm1      2.903 ppm2      1.179
 ASSI { 1662}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
      2.600     1.400     1.400 peak  1662 weight  0.10000E+01 volume  0.29151E+01 ppm1      0.430 ppm2      0.922
 OR { 1662}
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
 ASSI { 1688}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      3.100     1.900     1.900 peak  1688 weight  0.10000E+01 volume  0.90000E+00 ppm1      4.482 ppm2      1.053
 ASSI { 1716}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.300     1.100     1.100 peak  1716 weight  0.10000E+01 volume  0.56610E+01 ppm1      1.572 ppm2      0.604
 ASSI { 1727}
   (( segid PTB  and resid  130 and name HG21)
     OR 
    ( segid PTB  and resid  130 and name HG23)
     OR 
    ( segid PTB  and resid  130 and name HG22))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.200     1.000     1.000 peak  1727 weight  0.10000E+01 volume  0.78118E+01 ppm1      0.886 ppm2      0.602
 ASSI { 1730}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  117 and name HG11)
     OR 
    ( segid PTB  and resid  117 and name HG13)
     OR 
    ( segid PTB  and resid  117 and name HG12))
      2.500     1.300     1.300 peak  1730 weight  0.10000E+01 volume  0.30245E+01 ppm1      0.634 ppm2      1.055
 ASSI { 1734}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.900     1.700     1.700 peak  1734 weight  0.10000E+01 volume  0.15107E+01 ppm1      0.301 ppm2      0.814
 ASSI { 1760}
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.000     0.800     0.800 peak  1760 weight  0.10000E+01 volume  0.12138E+02 ppm1      0.699 ppm2      0.826
 ASSI { 1771}
   (( segid PTB  and resid  175 and name HB2 ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.900     1.700     1.700 peak  1771 weight  0.10000E+01 volume  0.13119E+01 ppm1      2.586 ppm2      0.590
 ASSI { 1772}
   (( segid PTB  and resid  174 and name HB2 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.700     1.500     1.500 peak  1772 weight  0.10000E+01 volume  0.19163E+01 ppm1      2.513 ppm2      0.814
 OR { 1772}
   (( segid PTB  and resid  174 and name HB1 ))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
 ASSI { 1780}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  140 and name HG11)
     OR 
    ( segid PTB  and resid  140 and name HG13)
     OR 
    ( segid PTB  and resid  140 and name HG12))
      2.900     1.700     1.700 peak  1780 weight  0.10000E+01 volume  0.12614E+01 ppm1      1.182 ppm2      0.795
 ASSI { 1782}
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
   (( segid PTB  and resid  101 and name HG11)
     OR 
    ( segid PTB  and resid  101 and name HG13)
     OR 
    ( segid PTB  and resid  101 and name HG12))
      2.400     1.200     1.200 peak  1782 weight  0.10000E+01 volume  0.44145E+01 ppm1      1.004 ppm2      0.816
 ASSI { 1811}
   (( segid PTB  and resid  138 and name HA  ))
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
      2.600     1.400     1.400 peak  1811 weight  0.10000E+01 volume  0.26307E+01 ppm1      4.548 ppm2      0.802
 ASSI { 1860}
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.600     1.400     1.400 peak  1860 weight  0.10000E+01 volume  0.27846E+01 ppm1      1.793 ppm2      0.928
 ASSI { 1877}
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
   (( segid PTB  and resid   91 and name HG21)
     OR 
    ( segid PTB  and resid   91 and name HG23)
     OR 
    ( segid PTB  and resid   91 and name HG22))
      2.400     1.200     1.200 peak  1877 weight  0.10000E+01 volume  0.47665E+01 ppm1      0.418 ppm2      0.925
 ASSI { 1913}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.700     1.500     1.500 peak  1913 weight  0.10000E+01 volume  0.20559E+01 ppm1      0.286 ppm2      0.712
 ASSI { 2019}
   (( segid PTB  and resid   79 and name HA  ))
   (( segid PTB  and resid  124 and name HB2 ))
      2.800     1.600     1.600 peak  2019 weight  0.10000E+01 volume  0.15581E+01 ppm1      4.163 ppm2      4.004
 OR { 2019}
   (( segid PTB  and resid   79 and name HA  ))
   (( segid PTB  and resid  124 and name HB1 ))
 ASSI { 2083}
   (( segid PTB  and resid  198 and name HA  ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.900     1.700     1.700 peak  2083 weight  0.10000E+01 volume  0.15128E+01 ppm1      4.132 ppm2      1.191
 ASSI { 2097}
   (( segid PTB  and resid  180 and name HB2 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.700     2.700     1.800 peak  2097 weight  0.10000E+01 volume  0.19450E+01 ppm1      3.252 ppm2      1.621
 ASSI { 2098}
   (( segid PTB  and resid  198 and name HB1 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.500     1.300     1.300 peak  2098 weight  0.10000E+01 volume  0.36125E+01 ppm1      3.247 ppm2      1.178
 OR { 2098}
   (( segid PTB  and resid  198 and name HB2 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2110}
   (( segid PTB  and resid  145 and name HG1 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.900     1.700     1.700 peak  2110 weight  0.10000E+01 volume  0.12750E+01 ppm1      2.282 ppm2      1.183
 OR { 2110}
   (( segid PTB  and resid  145 and name HG2 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 2111}
   (( segid PTB  and resid  145 and name HB1 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.800     1.600     1.600 peak  2111 weight  0.10000E+01 volume  0.18712E+01 ppm1      2.113 ppm2      1.189
 ASSI { 2180}
   (( segid PTB  and resid  182 and name HB1 ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.800     1.600     1.600 peak  2180 weight  0.10000E+01 volume  0.18572E+01 ppm1      2.107 ppm2      1.614
 ASSI { 2200}
   (( segid PTB  and resid  171 and name HD2 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
      2.800     1.600     1.600 peak  2200 weight  0.10000E+01 volume  0.18147E+01 ppm1      3.135 ppm2      0.694
 OR { 2200}
   (( segid PTB  and resid  171 and name HD1 ))
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
 ASSI { 2209}
   (( segid PTB  and resid  108 and name HB  ))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.800     1.600     1.600 peak  2209 weight  0.10000E+01 volume  0.15306E+01 ppm1      2.285 ppm2      1.338
 ASSI { 2216}
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.700     1.500     1.500 peak  2216 weight  0.10000E+01 volume  0.21107E+01 ppm1      1.094 ppm2      1.336
 ASSI { 2223}
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
   (( segid PTB  and resid  105 and name HB1 )
     OR 
    ( segid PTB  and resid  105 and name HB3 )
     OR 
    ( segid PTB  and resid  105 and name HB2 ))
      2.800     1.600     1.600 peak  2223 weight  0.10000E+01 volume  0.18698E+01 ppm1      0.480 ppm2      1.323
 ASSI { 2243}
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
   (( segid PTB  and resid   76 and name HA  ))
      2.800     1.600     1.600 peak  2243 weight  0.10000E+01 volume  0.15417E+01 ppm1      1.365 ppm2      3.711
 ASSI { 2257}
   (( segid PTB  and resid  175 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.700     2.700     1.800 peak  2257 weight  0.10000E+01 volume  0.22635E+01 ppm1      2.594 ppm2      0.996
 ASSI { 2258}
   (( segid PTB  and resid  174 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.900     1.700     1.700 peak  2258 weight  0.10000E+01 volume  0.13177E+01 ppm1      2.519 ppm2      0.992
 OR { 2258}
   (( segid PTB  and resid  174 and name HB1 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
 ASSI { 2261}
   (( segid PTB  and resid   96 and name HB2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.800     1.600     1.600 peak  2261 weight  0.10000E+01 volume  0.16262E+01 ppm1      1.452 ppm2      0.988
 ASSI { 2288}
   (( segid PTB  and resid  197 and name HB  ))
   (( segid PTB  and resid  197 and name HA  ))
      2.400     1.200     1.200 peak  2288 weight  0.10000E+01 volume  0.38422E+01 ppm1      2.161 ppm2      3.649
 ASSI { 2296}
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
      1.800     0.600     0.600 peak  2296 weight  0.10000E+01 volume  0.20554E+02 ppm1      0.870 ppm2      0.987
 ASSI { 2313}
   (( segid PTB  and resid  111 and name HG1 ))
   (( segid PTB  and resid  108 and name HA  ))
      2.800     1.600     1.600 peak  2313 weight  0.10000E+01 volume  0.17678E+01 ppm1      2.564 ppm2      3.645
 ASSI { 2314}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  108 and name HA  ))
      2.800     1.600     1.600 peak  2314 weight  0.10000E+01 volume  0.17202E+01 ppm1      2.418 ppm2      3.652
 ASSI { 2352}
   (( segid PTB  and resid   71 and name HA  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      1.800     0.600     0.600 peak  2352 weight  0.10000E+01 volume  0.22585E+02 ppm1      4.246 ppm2      1.509
 ASSI { 2423}
   (( segid PTB  and resid   80 and name HG21)
     OR 
    ( segid PTB  and resid   80 and name HG23)
     OR 
    ( segid PTB  and resid   80 and name HG22))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.900     1.700     1.700 peak  2423 weight  0.10000E+01 volume  0.15004E+01 ppm1      1.094 ppm2      1.358
 ASSI { 2424}
   (( segid PTB  and resid  197 and name HG11)
     OR 
    ( segid PTB  and resid  197 and name HG13)
     OR 
    ( segid PTB  and resid  197 and name HG12))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      2.600     1.400     1.400 peak  2424 weight  0.10000E+01 volume  0.27233E+01 ppm1      1.025 ppm2      1.586
 ASSI { 2425}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid   75 and name HB1 )
     OR 
    ( segid PTB  and resid   75 and name HB3 )
     OR 
    ( segid PTB  and resid   75 and name HB2 ))
      2.500     1.300     1.300 peak  2425 weight  0.10000E+01 volume  0.34115E+01 ppm1      1.007 ppm2      1.360
 ASSI { 2426}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid   82 and name HB1 ))
      2.700     1.500     1.500 peak  2426 weight  0.10000E+01 volume  0.21101E+01 ppm1      0.846 ppm2      3.023
 ASSI { 2457}
   (( segid PTB  and resid  104 and name HG2 ))
   (( segid PTB  and resid  101 and name HA  ))
      2.800     1.600     1.600 peak  2457 weight  0.10000E+01 volume  0.18411E+01 ppm1      2.441 ppm2      3.628
 ASSI { 2464}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid   82 and name HB2 ))
      2.800     1.600     1.600 peak  2464 weight  0.10000E+01 volume  0.17715E+01 ppm1      0.849 ppm2      3.416
 ASSI { 2512}
   (( segid PTB  and resid  154 and name HA  ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.700     1.500     1.500 peak  2512 weight  0.10000E+01 volume  0.20442E+01 ppm1      4.114 ppm2      2.219
 ASSI { 2513}
   (( segid PTB  and resid   99 and name HA  ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.800     1.600     1.600 peak  2513 weight  0.10000E+01 volume  0.17183E+01 ppm1      4.042 ppm2      2.211
 ASSI { 2567}
   (( segid PTB  and resid  103 and name HA  ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.800     1.600     1.600 peak  2567 weight  0.10000E+01 volume  0.18405E+01 ppm1      3.829 ppm2      2.210
 ASSI { 2585}
   (( segid PTB  and resid  103 and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.800     1.600     1.600 peak  2585 weight  0.10000E+01 volume  0.15835E+01 ppm1      1.926 ppm2      2.228
 OR { 2585}
   (( segid PTB  and resid  103 and name HB1 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
 ASSI { 2588}
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
   (( segid PTB  and resid   99 and name HE1 )
     OR 
    ( segid PTB  and resid   99 and name HE3 )
     OR 
    ( segid PTB  and resid   99 and name HE2 ))
      2.400     1.200     1.200 peak  2588 weight  0.10000E+01 volume  0.48329E+01 ppm1      1.569 ppm2      2.214
 ASSI { 2605}
   (( segid PTB  and resid   80 and name HA  ))
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
      2.800     1.600     1.600 peak  2605 weight  0.10000E+01 volume  0.16925E+01 ppm1      4.563 ppm2      1.540
 ASSI { 2618}
   (( segid PTB  and resid   91 and name HB  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      3.000     1.800     1.800 peak  2618 weight  0.10000E+01 volume  0.12341E+01 ppm1      1.956 ppm2      1.783
 ASSI { 2621}
   (( segid PTB  and resid   92 and name HB1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.200     1.000     1.000 peak  2621 weight  0.10000E+01 volume  0.66047E+01 ppm1      1.725 ppm2      1.787
 OR { 2621}
   (( segid PTB  and resid   92 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2623}
   (( segid PTB  and resid  173 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.300     1.100     1.100 peak  2623 weight  0.10000E+01 volume  0.49593E+01 ppm1      1.651 ppm2      1.783
 ASSI { 2626}
   (( segid PTB  and resid  171 and name HG1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.400     1.200     1.200 peak  2626 weight  0.10000E+01 volume  0.46104E+01 ppm1      1.414 ppm2      1.781
 OR { 2626}
   (( segid PTB  and resid  171 and name HG2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2667}
   (( segid PTB  and resid  170 and name HB2 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.800     1.600     1.600 peak  2667 weight  0.10000E+01 volume  0.15419E+01 ppm1      1.885 ppm2      1.769
 OR { 2667}
   (( segid PTB  and resid  170 and name HB1 ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
 ASSI { 2702}
   (( segid PTB  and resid  167 and name HA1 ))
   (( segid PTB  and resid  168 and name HA  ))
      2.900     1.700     1.700 peak  2702 weight  0.10000E+01 volume  0.13001E+01 ppm1      3.858 ppm2      4.255
 ASSI { 2718}
   (( segid PTB  and resid  112 and name HA  ))
   (( segid PTB  and resid  112 and name HB2 ))
      2.000     0.800     0.800 peak  2718 weight  0.10000E+01 volume  0.12079E+02 ppm1      4.319 ppm2      3.988
 ASSI { 2721}
   (( segid PTB  and resid  112 and name HB1 ))
   (( segid PTB  and resid  112 and name HB2 ))
      1.800     0.600     0.600 peak  2721 weight  0.10000E+01 volume  0.27892E+02 ppm1      4.041 ppm2      3.979
 ASSI { 2815}
   (( segid PTB  and resid   77 and name HB2 ))
   (( segid PTB  and resid   78 and name HB1 ))
      3.000     1.800     1.800 peak  2815 weight  0.10000E+01 volume  0.12020E+01 ppm1      1.874 ppm2      3.898
 OR { 2815}
   (( segid PTB  and resid   77 and name HB2 ))
   (( segid PTB  and resid   78 and name HB2 ))
 ASSI { 2908}
   (( segid PTB  and resid  164 and name HB2 ))
   (( segid PTB  and resid  147 and name HA  ))
      2.900     1.700     1.700 peak  2908 weight  0.10000E+01 volume  0.13669E+01 ppm1      3.077 ppm2      4.453
 OR { 2908}
   (( segid PTB  and resid  164 and name HB1 ))
   (( segid PTB  and resid  147 and name HA  ))
 ASSI { 2937}
   (( segid PTB  and resid  180 and name HB2 ))
   (( segid PTB  and resid   84 and name HB2 ))
      2.700     1.500     1.500 peak  2937 weight  0.10000E+01 volume  0.19877E+01 ppm1      3.216 ppm2      3.984
 OR { 2937}
   (( segid PTB  and resid  180 and name HB2 ))
   (( segid PTB  and resid   84 and name HB1 ))
 ASSI { 2942}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid   84 and name HB1 ))
      2.900     1.700     1.700 peak  2942 weight  0.10000E+01 volume  0.13550E+01 ppm1      0.950 ppm2      3.981
 OR { 2942}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid   84 and name HB2 ))
 OR { 2942}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid   84 and name HB1 ))
 OR { 2942}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid   84 and name HB2 ))
 ASSI { 2943}
   (( segid PTB  and resid  120 and name HG  ))
   (( segid PTB  and resid   84 and name HB1 ))
      2.900     1.700     1.700 peak  2943 weight  0.10000E+01 volume  0.14641E+01 ppm1      0.853 ppm2      3.972
 OR { 2943}
   (( segid PTB  and resid  120 and name HG  ))
   (( segid PTB  and resid   84 and name HB2 ))
 OR { 2943}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid   84 and name HB1 ))
 OR { 2943}
   (( segid PTB  and resid  120 and name HD11)
     OR 
    ( segid PTB  and resid  120 and name HD13)
     OR 
    ( segid PTB  and resid  120 and name HD12))
   (( segid PTB  and resid   84 and name HB2 ))
 ASSI { 2963}
   (( segid PTB  and resid  195 and name HB1 ))
   (( segid PTB  and resid  193 and name HA  ))
      3.000     1.800     1.800 peak  2963 weight  0.10000E+01 volume  0.12309E+01 ppm1      3.317 ppm2      3.971
 ASSI { 2998}
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
   (( segid PTB  and resid  116 and name HA  ))
      2.800     1.600     1.600 peak  2998 weight  0.10000E+01 volume  0.15612E+01 ppm1      1.162 ppm2      4.500
 ASSI { 3015}
   (( segid PTB  and resid  145 and name HB2 ))
   (( segid PTB  and resid  198 and name HA  ))
      2.800     1.600     1.600 peak  3015 weight  0.10000E+01 volume  0.18817E+01 ppm1      2.059 ppm2      4.109
 ASSI { 3018}
   (( segid PTB  and resid  197 and name HG21)
     OR 
    ( segid PTB  and resid  197 and name HG23)
     OR 
    ( segid PTB  and resid  197 and name HG22))
   (( segid PTB  and resid  198 and name HA  ))
      3.100     1.900     1.900 peak  3018 weight  0.10000E+01 volume  0.90000E+00 ppm1      1.033 ppm2      4.132
 ASSI { 3032}
   (( segid PTB  and resid  199 and name HD11)
     OR 
    ( segid PTB  and resid  199 and name HD13)
     OR 
    ( segid PTB  and resid  199 and name HD12))
   (( segid PTB  and resid  198 and name HA  ))
      2.800     1.600     1.600 peak  3032 weight  0.10000E+01 volume  0.17337E+01 ppm1      0.933 ppm2      4.137
 ASSI { 3040}
   (( segid PTB  and resid  143 and name HB  ))
   (( segid PTB  and resid  143 and name HA  ))
      2.100     0.900     0.900 peak  3040 weight  0.10000E+01 volume  0.10499E+02 ppm1      4.407 ppm2      4.625
 ASSI { 3047}
   (( segid PTB  and resid  140 and name HB  ))
   (( segid PTB  and resid  140 and name HA  ))
      2.800     1.600     1.600 peak  3047 weight  0.10000E+01 volume  0.18921E+01 ppm1      1.558 ppm2      4.095
 ASSI { 3072}
   (( segid PTB  and resid  127 and name HA2 ))
   (( segid PTB  and resid  143 and name HA  ))
      2.700     1.500     1.500 peak  3072 weight  0.10000E+01 volume  0.23101E+01 ppm1      4.507 ppm2      4.646
 ASSI { 3075}
   (( segid PTB  and resid  139 and name HA  ))
   (( segid PTB  and resid  140 and name HA  ))
      2.700     2.700     1.800 peak  3075 weight  0.10000E+01 volume  0.22402E+01 ppm1      4.257 ppm2      4.104
 ASSI { 3077}
   (( segid PTB  and resid  127 and name HA1 ))
   (( segid PTB  and resid  143 and name HA  ))
      2.900     1.700     1.700 peak  3077 weight  0.10000E+01 volume  0.13067E+01 ppm1      4.022 ppm2      4.633
 ASSI { 3080}
   (( segid PTB  and resid  149 and name HB2 ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      2.800     1.600     1.600 peak  3080 weight  0.10000E+01 volume  0.15681E+01 ppm1      2.586 ppm2      0.627
 OR { 3080}
   (( segid PTB  and resid  149 and name HB1 ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
 ASSI { 3082}
   (( segid PTB  and resid  160 and name HB2 ))
   (( segid PTB  and resid  152 and name HA  ))
      2.700     1.500     1.500 peak  3082 weight  0.10000E+01 volume  0.21965E+01 ppm1      2.361 ppm2      5.219
 ASSI { 3083}
   (( segid PTB  and resid  101 and name HB  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      2.900     1.700     1.700 peak  3083 weight  0.10000E+01 volume  0.14665E+01 ppm1      1.975 ppm2      0.614
 ASSI { 3088}
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
   (( segid PTB  and resid  135 and name HA  ))
      1.800     0.600     0.600 peak  3088 weight  0.10000E+01 volume  0.21042E+02 ppm1      1.253 ppm2      4.381
 ASSI { 3117}
   (( segid PTB  and resid  144 and name HG12))
   (( segid PTB  and resid  144 and name HA  ))
      2.800     1.600     1.600 peak  3117 weight  0.10000E+01 volume  0.18891E+01 ppm1      1.394 ppm2      3.938
 ASSI { 3217}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.800     1.600     1.600 peak  3217 weight  0.10000E+01 volume  0.17515E+01 ppm1      2.983 ppm2      0.874
 ASSI { 3242}
   (( segid PTB  and resid  132 and name HA  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.700     1.500     1.500 peak  3242 weight  0.10000E+01 volume  0.23477E+01 ppm1      4.489 ppm2      0.868
 ASSI { 3253}
   (( segid PTB  and resid  130 and name HB  ))
   (( segid PTB  and resid  130 and name HA  ))
      2.900     1.700     1.700 peak  3253 weight  0.10000E+01 volume  0.14478E+01 ppm1      1.736 ppm2      5.355
 ASSI { 3261}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.300     1.100     1.100 peak  3261 weight  0.10000E+01 volume  0.53647E+01 ppm1      0.634 ppm2      0.870
 ASSI { 3303}
   (( segid PTB  and resid   99 and name HG2 ))
   (( segid PTB  and resid   99 and name HA  ))
      2.800     1.600     1.600 peak  3303 weight  0.10000E+01 volume  0.16025E+01 ppm1      2.878 ppm2      4.041
 ASSI { 3322}
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
   (( segid PTB  and resid   99 and name HA  ))
      2.700     1.500     1.500 peak  3322 weight  0.10000E+01 volume  0.19988E+01 ppm1      1.560 ppm2      4.043
 ASSI { 3393}
   (( segid PTB  and resid  139 and name HG11))
   (( segid PTB  and resid  131 and name HA  ))
      2.900     1.700     1.700 peak  3393 weight  0.10000E+01 volume  0.14002E+01 ppm1      1.327 ppm2      4.872
 ASSI { 3423}
   (( segid PTB  and resid  103 and name HB2 ))
   (( segid PTB  and resid  103 and name HA  ))
      2.700     1.500     1.500 peak  3423 weight  0.10000E+01 volume  0.22576E+01 ppm1      2.014 ppm2      3.913
 OR { 3423}
   (( segid PTB  and resid  103 and name HB1 ))
   (( segid PTB  and resid  103 and name HA  ))
 ASSI { 3425}
   (( segid PTB  and resid  106 and name HB1 ))
   (( segid PTB  and resid  103 and name HA  ))
      2.800     1.600     1.600 peak  3425 weight  0.10000E+01 volume  0.18150E+01 ppm1      1.776 ppm2      3.880
 ASSI { 3426}
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
   (( segid PTB  and resid  186 and name HA  ))
      2.900     1.700     1.700 peak  3426 weight  0.10000E+01 volume  0.12753E+01 ppm1      1.454 ppm2      2.982
 ASSI { 3441}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  103 and name HA  ))
      2.700     1.500     1.500 peak  3441 weight  0.10000E+01 volume  0.22237E+01 ppm1      0.870 ppm2      3.878
 OR { 3441}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  103 and name HA  ))
 ASSI { 3459}
   (( segid PTB  and resid  189 and name HB1 ))
   (( segid PTB  and resid  189 and name HA  ))
      2.900     1.700     1.700 peak  3459 weight  0.10000E+01 volume  0.14189E+01 ppm1      3.307 ppm2      4.062
 ASSI { 3461}
   (( segid PTB  and resid  189 and name HB2 ))
   (( segid PTB  and resid  189 and name HA  ))
      2.900     1.700     1.700 peak  3461 weight  0.10000E+01 volume  0.14014E+01 ppm1      2.659 ppm2      4.095
 ASSI { 3471}
   (( segid PTB  and resid  187 and name HD11)
     OR 
    ( segid PTB  and resid  187 and name HD13)
     OR 
    ( segid PTB  and resid  187 and name HD12))
   (( segid PTB  and resid  187 and name HA  ))
      2.600     1.400     1.400 peak  3471 weight  0.10000E+01 volume  0.29394E+01 ppm1     -0.081 ppm2      2.708
 ASSI { 3495}
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
   (( segid PTB  and resid   91 and name HA  ))
      2.900     1.700     1.700 peak  3495 weight  0.10000E+01 volume  0.13034E+01 ppm1      0.416 ppm2      4.424
 ASSI { 3510}
   (( segid PTB  and resid  133 and name HA  ))
   (( segid PTB  and resid  134 and name HA  ))
      2.700     2.700     1.800 peak  3510 weight  0.10000E+01 volume  0.20343E+01 ppm1      4.497 ppm2      4.285
 ASSI { 3521}
   (( segid PTB  and resid   69 and name HB2 ))
   (( segid PTB  and resid   70 and name HA  ))
      2.900     1.700     1.700 peak  3521 weight  0.10000E+01 volume  0.13087E+01 ppm1      3.223 ppm2      4.168
 ASSI { 3524}
   (( segid PTB  and resid  107 and name HE2 ))
   (( segid PTB  and resid  104 and name HA  ))
      2.900     1.700     1.700 peak  3524 weight  0.10000E+01 volume  0.14716E+01 ppm1      2.924 ppm2      4.034
 OR { 3524}
   (( segid PTB  and resid  107 and name HE1 ))
   (( segid PTB  and resid  104 and name HA  ))
 ASSI { 3525}
   (( segid PTB  and resid  200 and name HG2 ))
   (( segid PTB  and resid  200 and name HA  ))
      2.500     1.300     1.300 peak  3525 weight  0.10000E+01 volume  0.32356E+01 ppm1      2.528 ppm2      4.103
 OR { 3525}
   (( segid PTB  and resid  200 and name HG1 ))
   (( segid PTB  and resid  200 and name HA  ))
 ASSI { 3527}
   (( segid PTB  and resid   74 and name HG1 ))
   (( segid PTB  and resid   74 and name HA  ))
      2.300     1.100     1.100 peak  3527 weight  0.10000E+01 volume  0.57215E+01 ppm1      2.305 ppm2      4.014
 ASSI { 3540}
   (( segid PTB  and resid  120 and name HG  ))
   (( segid PTB  and resid   84 and name HA  ))
      2.800     1.600     1.600 peak  3540 weight  0.10000E+01 volume  0.16912E+01 ppm1      0.848 ppm2      4.962
 ASSI { 3552}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  134 and name HA  ))
      2.900     1.700     1.700 peak  3552 weight  0.10000E+01 volume  0.13209E+01 ppm1      2.590 ppm2      4.239
 OR { 3552}
   (( segid PTB  and resid  133 and name HB2 ))
   (( segid PTB  and resid  134 and name HA  ))
 ASSI { 3561}
   (( segid PTB  and resid  108 and name HG21)
     OR 
    ( segid PTB  and resid  108 and name HG23)
     OR 
    ( segid PTB  and resid  108 and name HG22))
   (( segid PTB  and resid  104 and name HA  ))
      2.800     1.600     1.600 peak  3561 weight  0.10000E+01 volume  0.15812E+01 ppm1      1.075 ppm2      4.069
 ASSI { 3575}
   (( segid PTB  and resid  204 and name HD2 ))
   (( segid PTB  and resid  202 and name HA  ))
      2.900     1.700     1.700 peak  3575 weight  0.10000E+01 volume  0.12800E+01 ppm1      3.245 ppm2      4.150
 OR { 3575}
   (( segid PTB  and resid  204 and name HD1 ))
   (( segid PTB  and resid  202 and name HA  ))
 ASSI { 3641}
   (( segid PTB  and resid  154 and name HD1 ))
   (( segid PTB  and resid  154 and name HA  ))
      2.900     1.700     1.700 peak  3641 weight  0.10000E+01 volume  0.13436E+01 ppm1      3.144 ppm2      4.141
 ASSI { 3642}
   (( segid PTB  and resid   81 and name HB1 ))
   (( segid PTB  and resid   81 and name HA  ))
      2.700     1.500     1.500 peak  3642 weight  0.10000E+01 volume  0.21399E+01 ppm1      3.088 ppm2      4.238
 ASSI { 3646}
   (( segid PTB  and resid   77 and name HB2 ))
   (( segid PTB  and resid   78 and name HA  ))
      2.600     1.400     1.400 peak  3646 weight  0.10000E+01 volume  0.27555E+01 ppm1      1.886 ppm2      4.509
 ASSI { 3689}
   (( segid PTB  and resid  106 and name HG  ))
   (( segid PTB  and resid  106 and name HA  ))
      2.600     1.400     1.400 peak  3689 weight  0.10000E+01 volume  0.27392E+01 ppm1      1.573 ppm2      3.796
 ASSI { 3690}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid   78 and name HA  ))
      2.900     1.700     1.700 peak  3690 weight  0.10000E+01 volume  0.14208E+01 ppm1      1.547 ppm2      4.500
 ASSI { 3694}
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
   (( segid PTB  and resid   94 and name HA  ))
      2.900     1.700     1.700 peak  3694 weight  0.10000E+01 volume  0.14165E+01 ppm1      0.699 ppm2      4.867
 ASSI { 3713}
   (( segid PTB  and resid   94 and name HB1 ))
   (( segid PTB  and resid   94 and name HA  ))
      2.700     1.500     1.500 peak  3713 weight  0.10000E+01 volume  0.21963E+01 ppm1      2.722 ppm2      4.890
 ASSI { 3754}
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
   (( segid PTB  and resid   96 and name HA  ))
      2.900     1.700     1.700 peak  3754 weight  0.10000E+01 volume  0.12885E+01 ppm1      0.607 ppm2      2.996
 ASSI { 3773}
   (( segid PTB  and resid   69 and name HB2 ))
   (( segid PTB  and resid   69 and name HA  ))
      2.700     1.500     1.500 peak  3773 weight  0.10000E+01 volume  0.22387E+01 ppm1      3.218 ppm2      4.754
 ASSI { 3784}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  109 and name HA  ))
      3.000     1.800     1.800 peak  3784 weight  0.10000E+01 volume  0.12134E+01 ppm1      0.967 ppm2      3.872
 ASSI { 3810}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  161 and name HA  ))
      2.900     1.700     1.700 peak  3810 weight  0.10000E+01 volume  0.14713E+01 ppm1      0.861 ppm2      5.364
 OR { 3810}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  161 and name HA  ))
 ASSI { 3826}
   (( segid PTB  and resid  160 and name HB1 ))
   (( segid PTB  and resid  160 and name HA  ))
      3.000     1.800     1.800 peak  3826 weight  0.10000E+01 volume  0.12333E+01 ppm1      3.467 ppm2      5.149
 ASSI { 3827}
   (( segid PTB  and resid  204 and name HD2 ))
   (( segid PTB  and resid  204 and name HA  ))
      2.900     1.700     1.700 peak  3827 weight  0.10000E+01 volume  0.12480E+01 ppm1      3.265 ppm2      4.242
 OR { 3827}
   (( segid PTB  and resid  204 and name HD1 ))
   (( segid PTB  and resid  204 and name HA  ))
 ASSI { 3866}
   (( segid PTB  and resid   92 and name HB2 ))
   (( segid PTB  and resid   92 and name HA  ))
      2.800     1.600     1.600 peak  3866 weight  0.10000E+01 volume  0.17309E+01 ppm1      1.719 ppm2      5.034
 OR { 3866}
   (( segid PTB  and resid   92 and name HB1 ))
   (( segid PTB  and resid   92 and name HA  ))
 ASSI { 3869}
   (( segid PTB  and resid  136 and name HD2 ))
   (( segid PTB  and resid  133 and name HA  ))
      2.700     1.500     1.500 peak  3869 weight  0.10000E+01 volume  0.22617E+01 ppm1      1.701 ppm2      4.500
 ASSI { 3874}
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
   (( segid PTB  and resid  133 and name HA  ))
      2.900     1.700     1.700 peak  3874 weight  0.10000E+01 volume  0.14187E+01 ppm1      0.800 ppm2      4.504
 ASSI { 3893}
   (( segid PTB  and resid   67 and name HB1 ))
   (( segid PTB  and resid   67 and name HA  ))
      2.200     1.000     1.000 peak  3893 weight  0.10000E+01 volume  0.75755E+01 ppm1      3.029 ppm2      4.397
 ASSI { 3898}
   (( segid PTB  and resid   70 and name HB2 ))
   (( segid PTB  and resid   67 and name HA  ))
      2.900     1.700     1.700 peak  3898 weight  0.10000E+01 volume  0.13372E+01 ppm1      2.108 ppm2      4.400
 ASSI { 3926}
   (( segid PTB  and resid   76 and name HA  ))
   (( segid PTB  and resid  124 and name HA  ))
      2.700     1.500     1.500 peak  3926 weight  0.10000E+01 volume  0.22798E+01 ppm1      3.717 ppm2      5.186
 ASSI { 3933}
   (( segid PTB  and resid   83 and name HB1 ))
   (( segid PTB  and resid   82 and name HA  ))
      3.000     1.800     1.800 peak  3933 weight  0.10000E+01 volume  0.12368E+01 ppm1      2.934 ppm2      5.452
 ASSI { 3941}
   (( segid PTB  and resid   79 and name HB1 )
     OR 
    ( segid PTB  and resid   79 and name HB3 )
     OR 
    ( segid PTB  and resid   79 and name HB2 ))
   (( segid PTB  and resid  124 and name HA  ))
      2.700     1.500     1.500 peak  3941 weight  0.10000E+01 volume  0.21315E+01 ppm1      1.553 ppm2      5.183
 ASSI { 3945}
   (( segid PTB  and resid  123 and name HG11)
     OR 
    ( segid PTB  and resid  123 and name HG13)
     OR 
    ( segid PTB  and resid  123 and name HG12))
   (( segid PTB  and resid  124 and name HA  ))
      2.400     1.200     1.200 peak  3945 weight  0.10000E+01 volume  0.43634E+01 ppm1      0.587 ppm2      5.184
 ASSI { 3985}
   (( segid PTB  and resid   91 and name HA  ))
   (( segid PTB  and resid   92 and name HA  ))
      2.800     1.600     1.600 peak  3985 weight  0.10000E+01 volume  0.18920E+01 ppm1      4.354 ppm2      5.065
 ASSI { 4010}
   (( segid PTB  and resid  158 and name HD1 ))
   (( segid PTB  and resid  183 and name HA  ))
      2.800     1.600     1.600 peak  4010 weight  0.10000E+01 volume  0.17344E+01 ppm1      3.195 ppm2      4.597
 OR { 4010}
   (( segid PTB  and resid  158 and name HD2 ))
   (( segid PTB  and resid  183 and name HA  ))
 ASSI { 4051}
   (( segid PTB  and resid   93 and name HG21)
     OR 
    ( segid PTB  and resid   93 and name HG23)
     OR 
    ( segid PTB  and resid   93 and name HG22))
   (( segid PTB  and resid  174 and name HA  ))
      3.000     1.800     1.800 peak  4051 weight  0.10000E+01 volume  0.12122E+01 ppm1      0.635 ppm2      5.555
 ASSI { 4096}
   (( segid PTB  and resid  113 and name HG1 ))
   (( segid PTB  and resid  113 and name HA  ))
      2.200     2.200     2.300 peak  4096 weight  0.10000E+01 volume  0.68817E+01 ppm1      1.696 ppm2      4.279
 OR { 4096}
   (( segid PTB  and resid  113 and name HG2 ))
   (( segid PTB  and resid  113 and name HA  ))
 ASSI { 4127}
   (( segid PTB  and resid  181 and name HD1 ))
   (( segid PTB  and resid  181 and name HA  ))
      2.600     1.400     1.400 peak  4127 weight  0.10000E+01 volume  0.27700E+01 ppm1      1.764 ppm2      4.593
 OR { 4127}
   (( segid PTB  and resid  181 and name HD2 ))
   (( segid PTB  and resid  181 and name HA  ))
 ASSI { 4163}
   (( segid PTB  and resid  115 and name HA  ))
   (( segid PTB  and resid  114 and name HA  ))
      2.900     1.700     1.700 peak  4163 weight  0.10000E+01 volume  0.13069E+01 ppm1      4.505 ppm2      4.229
 ASSI { 4164}
   (( segid PTB  and resid  157 and name HA  ))
   (( segid PTB  and resid  158 and name HA  ))
      3.100     1.900     1.900 peak  4164 weight  0.10000E+01 volume  0.90000E+00 ppm1      4.449 ppm2      4.699
 ASSI { 4168}
   (( segid PTB  and resid  114 and name HD2 ))
   (( segid PTB  and resid  114 and name HA  ))
      2.600     1.400     1.400 peak  4168 weight  0.10000E+01 volume  0.24746E+01 ppm1      3.174 ppm2      4.236
 OR { 4168}
   (( segid PTB  and resid  114 and name HD1 ))
   (( segid PTB  and resid  114 and name HA  ))
 ASSI { 4172}
   (( segid PTB  and resid  111 and name HG1 ))
   (( segid PTB  and resid  111 and name HA  ))
      2.500     1.300     1.300 peak  4172 weight  0.10000E+01 volume  0.32000E+01 ppm1      2.573 ppm2      4.378
 ASSI { 4174}
   (( segid PTB  and resid   83 and name HB2 ))
   (( segid PTB  and resid   83 and name HA  ))
      2.800     1.600     1.600 peak  4174 weight  0.10000E+01 volume  0.18278E+01 ppm1      2.350 ppm2      5.028
 ASSI { 4182}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid  158 and name HA  ))
      2.900     1.700     1.700 peak  4182 weight  0.10000E+01 volume  0.15198E+01 ppm1      1.611 ppm2      4.740
 ASSI { 4204}
   (( segid PTB  and resid  125 and name HA2 ))
   (( segid PTB  and resid  194 and name HA  ))
      2.900     1.700     1.700 peak  4204 weight  0.10000E+01 volume  0.14019E+01 ppm1      4.011 ppm2      3.603
 ASSI { 4215}
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
   (( segid PTB  and resid   86 and name HA  ))
      2.900     1.700     1.700 peak  4215 weight  0.10000E+01 volume  0.13808E+01 ppm1      0.949 ppm2      5.030
 OR { 4215}
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
   (( segid PTB  and resid   86 and name HA  ))
 ASSI { 4216}
   (( segid PTB  and resid  144 and name HD11)
     OR 
    ( segid PTB  and resid  144 and name HD13)
     OR 
    ( segid PTB  and resid  144 and name HD12))
   (( segid PTB  and resid  194 and name HA  ))
      2.900     1.700     1.700 peak  4216 weight  0.10000E+01 volume  0.14257E+01 ppm1      0.884 ppm2      3.580
 ASSI { 4251}
   (( segid PTB  and resid  118 and name HD2 ))
   (( segid PTB  and resid  118 and name HA  ))
      2.800     1.600     1.600 peak  4251 weight  0.10000E+01 volume  0.16294E+01 ppm1      3.291 ppm2      4.988
 OR { 4251}
   (( segid PTB  and resid  118 and name HD1 ))
   (( segid PTB  and resid  118 and name HA  ))
 ASSI { 4254}
   (( segid PTB  and resid   69 and name HB2 ))
   (( segid PTB  and resid   65 and name HA  ))
      2.900     1.700     1.700 peak  4254 weight  0.10000E+01 volume  0.15275E+01 ppm1      3.206 ppm2      4.390
 ASSI { 4271}
   (( segid PTB  and resid  171 and name HG1 ))
   (( segid PTB  and resid  171 and name HA  ))
      2.700     1.500     1.500 peak  4271 weight  0.10000E+01 volume  0.20164E+01 ppm1      1.478 ppm2      4.300
 OR { 4271}
   (( segid PTB  and resid  171 and name HG2 ))
   (( segid PTB  and resid  171 and name HA  ))
 ASSI { 4289}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   90 and name HB1 ))
      3.000     1.800     1.800 peak  4289 weight  0.10000E+01 volume  0.12009E+01 ppm1      8.382 ppm2      1.599
 OR { 4289}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid   90 and name HB2 ))
 ASSI { 4306}
   (( segid PTB  and resid  129 and name HA  ))
   (( segid PTB  and resid  129 and name HG2 ))
      2.800     1.600     1.600 peak  4306 weight  0.10000E+01 volume  0.16707E+01 ppm1      5.342 ppm2      1.646
 OR { 4306}
   (( segid PTB  and resid  129 and name HA  ))
   (( segid PTB  and resid  129 and name HG1 ))
 ASSI { 4346}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HD11)
     OR 
    ( segid PTB  and resid   88 and name HD13)
     OR 
    ( segid PTB  and resid   88 and name HD12))
      2.800     1.600     1.600 peak  4346 weight  0.10000E+01 volume  0.16481E+01 ppm1      8.377 ppm2      0.575
 ASSI { 4352}
   (( segid PTB  and resid   90 and name HA  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      2.900     1.700     1.700 peak  4352 weight  0.10000E+01 volume  0.15209E+01 ppm1      5.775 ppm2      0.495
 ASSI { 4355}
   (( segid PTB  and resid  177 and name HN  ))
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
      2.800     1.600     1.600 peak  4355 weight  0.10000E+01 volume  0.16127E+01 ppm1      9.181 ppm2      0.856
 ASSI { 4358}
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
   (( segid PTB  and resid  187 and name HD21)
     OR 
    ( segid PTB  and resid  187 and name HD23)
     OR 
    ( segid PTB  and resid  187 and name HD22))
      2.900     1.700     1.700 peak  4358 weight  0.10000E+01 volume  0.13300E+01 ppm1      7.366 ppm2      0.134
 ASSI { 4364}
   (( segid PTB  and resid  128 and name HA  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      2.800     1.600     1.600 peak  4364 weight  0.10000E+01 volume  0.15766E+01 ppm1      5.321 ppm2      0.300
 ASSI { 4385}
   (( segid PTB  and resid  130 and name HN  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.600     1.400     1.400 peak  4385 weight  0.10000E+01 volume  0.24951E+01 ppm1      8.880 ppm2      0.862
 ASSI { 4386}
   (( segid PTB  and resid  129 and name HA  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.700     1.500     1.500 peak  4386 weight  0.10000E+01 volume  0.21704E+01 ppm1      5.336 ppm2      0.853
 ASSI { 4387}
   (( segid PTB  and resid  141 and name HA  ))
   (( segid PTB  and resid  138 and name HD11)
     OR 
    ( segid PTB  and resid  138 and name HD13)
     OR 
    ( segid PTB  and resid  138 and name HD12))
      2.400     1.200     1.200 peak  4387 weight  0.10000E+01 volume  0.48180E+01 ppm1      4.935 ppm2      0.859
 ASSI { 4412}
   (( segid PTB  and resid  191 and name HN  ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.600     1.400     1.400 peak  4412 weight  0.10000E+01 volume  0.27883E+01 ppm1      7.753 ppm2      0.708
 ASSI { 4413}
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
   (( segid PTB  and resid  191 and name HG21)
     OR 
    ( segid PTB  and resid  191 and name HG23)
     OR 
    ( segid PTB  and resid  191 and name HG22))
      2.900     1.700     1.700 peak  4413 weight  0.10000E+01 volume  0.12554E+01 ppm1      7.062 ppm2      0.708
 ASSI { 4427}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid  178 and name HD21)
     OR 
    ( segid PTB  and resid  178 and name HD23)
     OR 
    ( segid PTB  and resid  178 and name HD22))
      2.900     1.700     1.700 peak  4427 weight  0.10000E+01 volume  0.12467E+01 ppm1      8.927 ppm2      0.583
 ASSI { 4430}
   (( segid PTB  and resid   91 and name HN  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.800     1.600     1.600 peak  4430 weight  0.10000E+01 volume  0.15900E+01 ppm1      8.378 ppm2      0.426
 ASSI { 4431}
   (( segid PTB  and resid   90 and name HA  ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      2.900     1.700     1.700 peak  4431 weight  0.10000E+01 volume  0.12599E+01 ppm1      5.775 ppm2      0.421
 ASSI { 4441}
   (( segid PTB  and resid   87 and name HA  ))
   (( segid PTB  and resid   85 and name HG11)
     OR 
    ( segid PTB  and resid   85 and name HG13)
     OR 
    ( segid PTB  and resid   85 and name HG12))
      2.900     1.700     1.700 peak  4441 weight  0.10000E+01 volume  0.13802E+01 ppm1      4.770 ppm2      0.953
 ASSI { 4450}
   (( segid PTB  and resid   95 and name HN  ))
   (( segid PTB  and resid  101 and name HG21)
     OR 
    ( segid PTB  and resid  101 and name HG23)
     OR 
    ( segid PTB  and resid  101 and name HG22))
      2.700     1.500     1.500 peak  4450 weight  0.10000E+01 volume  0.21273E+01 ppm1      7.214 ppm2      0.895
 ASSI { 4460}
   (( segid PTB  and resid   88 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.700     1.500     1.500 peak  4460 weight  0.10000E+01 volume  0.22153E+01 ppm1      8.361 ppm2      0.632
 ASSI { 4469}
   (( segid PTB  and resid  175 and name HE1 ))
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
      2.900     1.700     1.700 peak  4469 weight  0.10000E+01 volume  0.12622E+01 ppm1      6.630 ppm2      1.155
 ASSI { 4475}
   (( segid PTB  and resid  178 and name HN  ))
   (( segid PTB  and resid   88 and name HD21)
     OR 
    ( segid PTB  and resid   88 and name HD23)
     OR 
    ( segid PTB  and resid   88 and name HD22))
      2.900     1.700     1.700 peak  4475 weight  0.10000E+01 volume  0.13849E+01 ppm1      8.892 ppm2      0.597
 ASSI { 4478}
   (( segid PTB  and resid   87 and name HD1 )
     OR 
    ( segid PTB  and resid   87 and name HD2 ))
   (( segid PTB  and resid  117 and name HG21)
     OR 
    ( segid PTB  and resid  117 and name HG23)
     OR 
    ( segid PTB  and resid  117 and name HG22))
      2.700     1.500     1.500 peak  4478 weight  0.10000E+01 volume  0.19618E+01 ppm1      6.482 ppm2      1.156
 ASSI { 4479}
   (( segid PTB  and resid  131 and name HA  ))
   (( segid PTB  and resid  131 and name HG21)
     OR 
    ( segid PTB  and resid  131 and name HG23)
     OR 
    ( segid PTB  and resid  131 and name HG22))
      2.300     1.100     1.100 peak  4479 weight  0.10000E+01 volume  0.59989E+01 ppm1      4.868 ppm2      0.904
 ASSI { 4487}
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      2.500     1.300     1.300 peak  4487 weight  0.10000E+01 volume  0.32286E+01 ppm1      6.628 ppm2      0.601
 ASSI { 4497}
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
      2.800     1.600     1.600 peak  4497 weight  0.10000E+01 volume  0.16202E+01 ppm1      7.368 ppm2      0.634
 ASSI { 4511}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.600     1.400     1.400 peak  4511 weight  0.10000E+01 volume  0.24044E+01 ppm1      6.958 ppm2      0.702
 OR { 4511}
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
 ASSI { 4539}
   (( segid PTB  and resid  195 and name HD1 )
     OR 
    ( segid PTB  and resid  195 and name HD2 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
      2.600     1.400     1.400 peak  4539 weight  0.10000E+01 volume  0.23794E+01 ppm1      7.050 ppm2      1.190
 OR { 4539}
   (( segid PTB  and resid  195 and name HE1 )
     OR 
    ( segid PTB  and resid  195 and name HE2 ))
   (( segid PTB  and resid  144 and name HG21)
     OR 
    ( segid PTB  and resid  144 and name HG23)
     OR 
    ( segid PTB  and resid  144 and name HG22))
 ASSI { 4540}
   (( segid PTB  and resid   85 and name HA  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      2.900     1.700     1.700 peak  4540 weight  0.10000E+01 volume  0.13732E+01 ppm1      5.450 ppm2      1.614
 ASSI { 4541}
   (( segid PTB  and resid  182 and name HA  ))
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
      3.000     1.800     1.800 peak  4541 weight  0.10000E+01 volume  0.12240E+01 ppm1      4.996 ppm2      1.623
 ASSI { 4561}
   (( segid PTB  and resid  174 and name HA  ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.800     1.600     1.600 peak  4561 weight  0.10000E+01 volume  0.17422E+01 ppm1      5.533 ppm2      0.993
 ASSI { 4566}
   (( segid PTB  and resid  175 and name HD2 ))
   (( segid PTB  and resid  163 and name HG21)
     OR 
    ( segid PTB  and resid  163 and name HG23)
     OR 
    ( segid PTB  and resid  163 and name HG22))
      2.400     1.200     1.200 peak  4566 weight  0.10000E+01 volume  0.38211E+01 ppm1      6.633 ppm2      0.985
 ASSI { 4567}
   (( segid PTB  and resid   87 and name HD1 )
     OR 
    ( segid PTB  and resid   87 and name HD2 ))
   (( segid PTB  and resid  139 and name HG21)
     OR 
    ( segid PTB  and resid  139 and name HG23)
     OR 
    ( segid PTB  and resid  139 and name HG22))
      2.700     1.500     1.500 peak  4567 weight  0.10000E+01 volume  0.20911E+01 ppm1      6.482 ppm2      0.989
 ASSI { 4579}
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.400     1.200     1.200 peak  4579 weight  0.10000E+01 volume  0.48436E+01 ppm1      7.360 ppm2      0.952
 ASSI { 4580}
   (( segid PTB  and resid   85 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.700     1.500     1.500 peak  4580 weight  0.10000E+01 volume  0.21068E+01 ppm1      5.460 ppm2      0.951
 ASSI { 4581}
   (( segid PTB  and resid  120 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.900     1.700     1.700 peak  4581 weight  0.10000E+01 volume  0.12967E+01 ppm1      5.205 ppm2      0.933
 ASSI { 4589}
   (( segid PTB  and resid  121 and name HA  ))
   (( segid PTB  and resid   85 and name HG21)
     OR 
    ( segid PTB  and resid   85 and name HG23)
     OR 
    ( segid PTB  and resid   85 and name HG22))
      2.800     1.600     1.600 peak  4589 weight  0.10000E+01 volume  0.15525E+01 ppm1      5.143 ppm2      0.957
 ASSI { 4590}
   (( segid PTB  and resid  122 and name HA  ))
   (( segid PTB  and resid   82 and name HB2 ))
      2.700     1.500     1.500 peak  4590 weight  0.10000E+01 volume  0.20701E+01 ppm1      5.004 ppm2      3.415
 ASSI { 4591}
   (( segid PTB  and resid  122 and name HA  ))
   (( segid PTB  and resid   82 and name HB1 ))
      2.900     1.700     1.700 peak  4591 weight  0.10000E+01 volume  0.14617E+01 ppm1      4.986 ppm2      3.020
 ASSI { 4595}
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      2.600     1.400     1.400 peak  4595 weight  0.10000E+01 volume  0.24554E+01 ppm1      6.975 ppm2      1.469
 OR { 4595}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
 ASSI { 4604}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      2.800     1.600     1.600 peak  4604 weight  0.10000E+01 volume  0.17506E+01 ppm1      9.202 ppm2      1.784
 ASSI { 4647}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  163 and name HD11)
     OR 
    ( segid PTB  and resid  163 and name HD13)
     OR 
    ( segid PTB  and resid  163 and name HD12))
      2.800     1.600     1.600 peak  4647 weight  0.10000E+01 volume  0.15542E+01 ppm1      9.160 ppm2      0.626
 ASSI { 4663}
   (( segid PTB  and resid   87 and name HE1 )
     OR 
    ( segid PTB  and resid   87 and name HE2 ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      2.900     1.700     1.700 peak  4663 weight  0.10000E+01 volume  0.12754E+01 ppm1      6.618 ppm2      0.858
 ASSI { 4859}
   (( segid PTB  and resid  166 and name HN  ))
   (( segid PTB  and resid  169 and name HB  ))
      2.900     1.700     1.700 peak  4859 weight  0.10000E+01 volume  0.13430E+01 ppm1      8.748 ppm2      4.231
 ASSI { 4986}
   (( segid PTB  and resid  161 and name HN  ))
   (( segid PTB  and resid  152 and name HA  ))
      2.900     1.700     1.700 peak  4986 weight  0.10000E+01 volume  0.13603E+01 ppm1      7.679 ppm2      5.224
 ASSI { 5040}
   (( segid PTB  and resid   94 and name HD1 )
     OR 
    ( segid PTB  and resid   94 and name HD2 ))
   (( segid PTB  and resid   93 and name HA  ))
      2.700     1.500     1.500 peak  5040 weight  0.10000E+01 volume  0.20840E+01 ppm1      7.341 ppm2      4.451
 OR { 5040}
   (( segid PTB  and resid   94 and name HE1 )
     OR 
    ( segid PTB  and resid   94 and name HE2 ))
   (( segid PTB  and resid   93 and name HA  ))
 ASSI { 5071}
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
   (( segid PTB  and resid  161 and name HA  ))
      2.800     1.600     1.600 peak  5071 weight  0.10000E+01 volume  0.16794E+01 ppm1      7.345 ppm2      5.346
 ASSI { 5097}
   (( segid PTB  and resid  156 and name HD2 ))
   (( segid PTB  and resid  156 and name HA  ))
      2.900     1.700     1.700 peak  5097 weight  0.10000E+01 volume  0.14596E+01 ppm1      7.063 ppm2      4.593
 ASSI { 5127}
   (( segid PTB  and resid  173 and name HA  ))
   (( segid PTB  and resid   92 and name HA  ))
      2.900     1.700     1.700 peak  5127 weight  0.10000E+01 volume  0.13427E+01 ppm1      5.303 ppm2      5.060
 ASSI { 5132}
   (( segid PTB  and resid  106 and name HN  ))
   (( segid PTB  and resid  103 and name HA  ))
      2.900     1.700     1.700 peak  5132 weight  0.10000E+01 volume  0.15023E+01 ppm1      8.544 ppm2      3.881
 ASSI { 5133}
   (( segid PTB  and resid  190 and name HA  ))
   (( segid PTB  and resid  193 and name HB1 ))
      3.000     1.800     1.800 peak  5133 weight  0.10000E+01 volume  0.11025E+01 ppm1      3.560 ppm2      3.074
 ASSI { 5135}
   (( segid PTB  and resid  193 and name HB2 ))
   (( segid PTB  and resid  190 and name HA  ))
      3.000     1.800     1.800 peak  5135 weight  0.10000E+01 volume  0.10235E+01 ppm1      2.562 ppm2      3.541
 ASSI { 5136}
   (( segid PTB  and resid  198 and name HB2 ))
   (( segid PTB  and resid  195 and name HA  ))
      2.900     1.700     1.700 peak  5136 weight  0.10000E+01 volume  0.15065E+01 ppm1      3.244 ppm2      4.337
 OR { 5136}
   (( segid PTB  and resid  198 and name HB1 ))
   (( segid PTB  and resid  195 and name HA  ))
 ASSI { 5145}
   (( segid PTB  and resid  102 and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.000     1.800     1.800 peak  5145 weight  0.10000E+01 volume  0.11133E+01 ppm1      2.995 ppm2      1.572
 ASSI { 5153}
   (( segid PTB  and resid  136 and name HA  ))
   (( segid PTB  and resid  133 and name HA  ))
      3.100     1.900     1.900 peak  5153 weight  0.10000E+01 volume  0.86580E+00 ppm1      4.116 ppm2      4.492
 ASSI { 5190}
   (( segid PTB  and resid  128 and name HD21)
     OR 
    ( segid PTB  and resid  128 and name HD23)
     OR 
    ( segid PTB  and resid  128 and name HD22))
   (( segid PTB  and resid  144 and name HA  ))
      3.100     1.900     1.900 peak  5190 weight  0.10000E+01 volume  0.94210E+00 ppm1      0.791 ppm2      3.957
 ASSI { 5193}
   (( segid PTB  and resid  127 and name HA2 ))
   (( segid PTB  and resid  144 and name HG12))
      3.100     1.900     1.900 peak  5193 weight  0.10000E+01 volume  0.87900E+00 ppm1      4.482 ppm2      1.349
 ASSI { 5205}
   (( segid PTB  and resid  191 and name HG11)
     OR 
    ( segid PTB  and resid  191 and name HG13)
     OR 
    ( segid PTB  and resid  191 and name HG12))
   (( segid PTB  and resid  190 and name HB1 )
     OR 
    ( segid PTB  and resid  190 and name HB3 )
     OR 
    ( segid PTB  and resid  190 and name HB2 ))
      3.200     2.000     2.000 peak  5205 weight  0.10000E+01 volume  0.77970E+00 ppm1      0.296 ppm2      1.454
 ASSI { 5217}
   (( segid PTB  and resid  146 and name HB2 ))
   (( segid PTB  and resid  147 and name HA  ))
      3.200     2.000     2.000 peak  5217 weight  0.10000E+01 volume  0.81910E+00 ppm1      1.511 ppm2      4.408
 OR { 5217}
   (( segid PTB  and resid  146 and name HB1 ))
   (( segid PTB  and resid  147 and name HA  ))
 ASSI { 5223}
   (( segid PTB  and resid  177 and name HD1 )
     OR 
    ( segid PTB  and resid  177 and name HD2 ))
   (( segid PTB  and resid  177 and name HA  ))
      3.000     1.800     1.800 peak  5223 weight  0.10000E+01 volume  0.10435E+01 ppm1      7.364 ppm2      5.455
 ASSI { 5224}
   (( segid PTB  and resid  163 and name HN  ))
   (( segid PTB  and resid  150 and name HA  ))
      3.100     1.900     1.900 peak  5224 weight  0.10000E+01 volume  0.95910E+00 ppm1      9.169 ppm2      5.421
 ASSI { 5240}
   (( segid PTB  and resid  102 and name HB2 ))
   (( segid PTB  and resid   99 and name HA  ))
      3.000     1.800     1.800 peak  5240 weight  0.10000E+01 volume  0.10422E+01 ppm1      3.004 ppm2      4.041
 ASSI { 5254}
   (( segid PTB  and resid  123 and name HB  ))
   (( segid PTB  and resid   81 and name HB2 ))
      3.200     2.000     2.000 peak  5254 weight  0.10000E+01 volume  0.82540E+00 ppm1      1.838 ppm2      2.187
 ASSI { 5259}
   (( segid PTB  and resid  169 and name HA  ))
   (( segid PTB  and resid  170 and name HA  ))
      3.100     1.900     1.900 peak  5259 weight  0.10000E+01 volume  0.92270E+00 ppm1      4.393 ppm2      3.721
 ASSI { 5266}
   (( segid PTB  and resid  174 and name HN  ))
   (( segid PTB  and resid  109 and name HD11)
     OR 
    ( segid PTB  and resid  109 and name HD13)
     OR 
    ( segid PTB  and resid  109 and name HD12))
      3.200     2.000     2.000 peak  5266 weight  0.10000E+01 volume  0.70520E+00 ppm1      9.213 ppm2      0.478
 ASSI { 5268}
   (( segid PTB  and resid   89 and name HA2 ))
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
      3.100     1.900     1.900 peak  5268 weight  0.10000E+01 volume  0.10098E+01 ppm1      2.841 ppm2      0.416
 ASSI { 5280}
   (( segid PTB  and resid   69 and name HE3 ))
   (( segid PTB  and resid   69 and name HB2 ))
      3.100     1.900     1.900 peak  5280 weight  0.10000E+01 volume  0.92740E+00 ppm1      6.982 ppm2      3.248
 ASSI { 5282}
   (( segid PTB  and resid  180 and name HB2 ))
   (( segid PTB  and resid  181 and name HG1 ))
      3.000     1.800     1.800 peak  5282 weight  0.10000E+01 volume  0.11097E+01 ppm1      3.219 ppm2      1.381
 OR { 5282}
   (( segid PTB  and resid  180 and name HB2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 ASSI { 5288}
   (( segid PTB  and resid  185 and name HB1 ))
   (( segid PTB  and resid  183 and name HA  ))
      3.000     1.800     1.800 peak  5288 weight  0.10000E+01 volume  0.11766E+01 ppm1      2.254 ppm2      4.596
 OR { 5288}
   (( segid PTB  and resid  185 and name HB2 ))
   (( segid PTB  and resid  183 and name HA  ))
 ASSI { 5295}
   (( segid PTB  and resid  183 and name HB1 ))
   (( segid PTB  and resid  185 and name HB1 ))
      2.600     1.400     1.400 peak  5295 weight  0.10000E+01 volume  0.23868E+01 ppm1      4.447 ppm2      2.251
 OR { 5295}
   (( segid PTB  and resid  183 and name HB1 ))
   (( segid PTB  and resid  185 and name HB2 ))
 ASSI { 5297}
   (( segid PTB  and resid  182 and name HA  ))
   (( segid PTB  and resid  183 and name HB2 ))
      3.200     2.000     2.000 peak  5297 weight  0.10000E+01 volume  0.81650E+00 ppm1      5.042 ppm2      4.032
 ASSI { 5300}
   (( segid PTB  and resid  182 and name HB2 ))
   (( segid PTB  and resid  183 and name HB2 ))
      3.100     1.900     1.900 peak  5300 weight  0.10000E+01 volume  0.94860E+00 ppm1      2.382 ppm2      4.042
 ASSI { 5301}
   (( segid PTB  and resid  185 and name HB1 ))
   (( segid PTB  and resid  183 and name HB2 ))
      3.100     1.900     1.900 peak  5301 weight  0.10000E+01 volume  0.86730E+00 ppm1      2.278 ppm2      4.047
 OR { 5301}
   (( segid PTB  and resid  185 and name HB2 ))
   (( segid PTB  and resid  183 and name HB2 ))
 ASSI { 5303}
   (( segid PTB  and resid  109 and name HB1 ))
   (( segid PTB  and resid  106 and name HA  ))
      2.800     1.600     1.600 peak  5303 weight  0.10000E+01 volume  0.15410E+01 ppm1      1.100 ppm2      3.811
 OR { 5303}
   (( segid PTB  and resid  109 and name HB2 ))
   (( segid PTB  and resid  106 and name HA  ))
 ASSI { 5308}
   (( segid PTB  and resid   70 and name HA  ))
   (( segid PTB  and resid   69 and name HB1 ))
      3.300     2.200     2.200 peak  5308 weight  0.10000E+01 volume  0.66640E+00 ppm1      4.166 ppm2      3.028
 ASSI { 5309}
   (( segid PTB  and resid   66 and name HA  ))
   (( segid PTB  and resid   69 and name HB1 ))
      3.100     1.900     1.900 peak  5309 weight  0.10000E+01 volume  0.87500E+00 ppm1      4.233 ppm2      3.029
 ASSI { 5314}
   (( segid PTB  and resid   72 and name HA  ))
   (( segid PTB  and resid   71 and name HB1 )
     OR 
    ( segid PTB  and resid   71 and name HB3 )
     OR 
    ( segid PTB  and resid   71 and name HB2 ))
      3.000     1.800     1.800 peak  5314 weight  0.10000E+01 volume  0.11519E+01 ppm1      4.473 ppm2      1.506
 ASSI { 5318}
   (( segid PTB  and resid  187 and name HB1 ))
   (( segid PTB  and resid  187 and name HA  ))
      3.000     1.800     1.800 peak  5318 weight  0.10000E+01 volume  0.11728E+01 ppm1      0.651 ppm2      2.689
 OR { 5318}
   (( segid PTB  and resid  187 and name HB2 ))
   (( segid PTB  and resid  187 and name HA  ))
 ASSI { 5325}
   (( segid PTB  and resid  136 and name HD1 ))
   (( segid PTB  and resid  133 and name HA  ))
      3.100     1.900     1.900 peak  5325 weight  0.10000E+01 volume  0.93850E+00 ppm1      1.581 ppm2      4.499
 ASSI { 5337}
   (( segid PTB  and resid  176 and name HA1 ))
   (( segid PTB  and resid  161 and name HA  ))
      3.200     2.000     2.000 peak  5337 weight  0.10000E+01 volume  0.74490E+00 ppm1      4.905 ppm2      5.364
 ASSI { 5340}
   (( segid PTB  and resid  162 and name HA  ))
   (( segid PTB  and resid  150 and name HA  ))
      2.700     1.500     1.500 peak  5340 weight  0.10000E+01 volume  0.19393E+01 ppm1      5.479 ppm2      5.421
 ASSI { 5341}
   (( segid PTB  and resid  134 and name HB2 ))
   (( segid PTB  and resid  135 and name HA  ))
      3.100     1.900     1.900 peak  5341 weight  0.10000E+01 volume  0.96710E+00 ppm1      2.274 ppm2      4.375
 OR { 5341}
   (( segid PTB  and resid  134 and name HB1 ))
   (( segid PTB  and resid  135 and name HA  ))
 ASSI { 5355}
   (( segid PTB  and resid  117 and name HB  ))
   (( segid PTB  and resid  139 and name HD11)
     OR 
    ( segid PTB  and resid  139 and name HD13)
     OR 
    ( segid PTB  and resid  139 and name HD12))
      3.000     1.800     1.800 peak  5355 weight  0.10000E+01 volume  0.11095E+01 ppm1      2.162 ppm2      0.864
 ASSI { 5362}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      3.100     1.900     1.900 peak  5362 weight  0.10000E+01 volume  0.87430E+00 ppm1      1.163 ppm2      0.602
 ASSI { 5365}
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
   (( segid PTB  and resid  140 and name HG21)
     OR 
    ( segid PTB  and resid  140 and name HG23)
     OR 
    ( segid PTB  and resid  140 and name HG22))
      3.200     2.000     2.000 peak  5365 weight  0.10000E+01 volume  0.80250E+00 ppm1      0.296 ppm2      0.596
 ASSI { 5373}
   (( segid PTB  and resid  156 and name HB1 ))
   (( segid PTB  and resid  154 and name HA  ))
      3.200     2.000     2.000 peak  5373 weight  0.10000E+01 volume  0.72930E+00 ppm1      3.032 ppm2      4.112
 ASSI { 5380}
   (( segid PTB  and resid   65 and name HB2 ))
   (( segid PTB  and resid   64 and name HA  ))
      3.000     1.800     1.800 peak  5380 weight  0.10000E+01 volume  0.10850E+01 ppm1      1.607 ppm2      4.490
 OR { 5380}
   (( segid PTB  and resid   65 and name HB1 ))
   (( segid PTB  and resid   64 and name HA  ))
 OR { 5380}
   (( segid PTB  and resid   65 and name HD2 ))
   (( segid PTB  and resid   64 and name HA  ))
 ASSI { 5390}
   (( segid PTB  and resid  169 and name HG21)
     OR 
    ( segid PTB  and resid  169 and name HG23)
     OR 
    ( segid PTB  and resid  169 and name HG22))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      3.100     1.900     1.900 peak  5390 weight  0.10000E+01 volume  0.92320E+00 ppm1      1.194 ppm2      1.786
 ASSI { 5392}
   (( segid PTB  and resid   93 and name HN  ))
   (( segid PTB  and resid  173 and name HE1 )
     OR 
    ( segid PTB  and resid  173 and name HE3 )
     OR 
    ( segid PTB  and resid  173 and name HE2 ))
      3.000     1.800     1.800 peak  5392 weight  0.10000E+01 volume  0.11159E+01 ppm1      8.282 ppm2      1.793
 ASSI { 5403}
   (( segid PTB  and resid  108 and name HG11)
     OR 
    ( segid PTB  and resid  108 and name HG13)
     OR 
    ( segid PTB  and resid  108 and name HG12))
   (( segid PTB  and resid  112 and name HB1 ))
      3.000     1.800     1.800 peak  5403 weight  0.10000E+01 volume  0.10189E+01 ppm1      0.929 ppm2      4.027
 ASSI { 5404}
   (( segid PTB  and resid   70 and name HG2 ))
   (( segid PTB  and resid   67 and name HB1 ))
      3.200     2.000     2.000 peak  5404 weight  0.10000E+01 volume  0.80220E+00 ppm1      2.384 ppm2      3.056
 OR { 5404}
   (( segid PTB  and resid   70 and name HG1 ))
   (( segid PTB  and resid   67 and name HB1 ))
 OR { 5404}
   (( segid PTB  and resid   70 and name HG2 ))
   (( segid PTB  and resid   67 and name HB2 ))
 OR { 5404}
   (( segid PTB  and resid   70 and name HG1 ))
   (( segid PTB  and resid   67 and name HB2 ))
 ASSI { 5408}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid PTB  and resid  204 and name HB2 ))
      3.100     1.900     1.900 peak  5408 weight  0.10000E+01 volume  0.87190E+00 ppm1      1.033 ppm2      1.927
 OR { 5408}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid PTB  and resid  204 and name HB1 ))
 ASSI { 5419}
   (( segid PTB  and resid  109 and name HD21)
     OR 
    ( segid PTB  and resid  109 and name HD23)
     OR 
    ( segid PTB  and resid  109 and name HD22))
   (( segid PTB  and resid  112 and name HB1 ))
      3.000     1.800     1.800 peak  5419 weight  0.10000E+01 volume  0.11439E+01 ppm1      0.421 ppm2      4.036
 ASSI { 5421}
   (( segid PTB  and resid  131 and name HG11)
     OR 
    ( segid PTB  and resid  131 and name HG13)
     OR 
    ( segid PTB  and resid  131 and name HG12))
   (( segid PTB  and resid  136 and name HG2 ))
      3.100     1.900     1.900 peak  5421 weight  0.10000E+01 volume  0.93840E+00 ppm1      0.813 ppm2      1.448
 ASSI { 5424}
   (( segid PTB  and resid  135 and name HA  ))
   (( segid PTB  and resid  134 and name HB2 ))
      2.900     1.700     1.700 peak  5424 weight  0.10000E+01 volume  0.13751E+01 ppm1      4.382 ppm2      2.242
 OR { 5424}
   (( segid PTB  and resid  135 and name HB  ))
   (( segid PTB  and resid  134 and name HB2 ))
 OR { 5424}
   (( segid PTB  and resid  135 and name HA  ))
   (( segid PTB  and resid  134 and name HB1 ))
 ASSI { 5425}
   (( segid PTB  and resid  119 and name HA2 ))
   (( segid PTB  and resid  118 and name HG2 ))
      2.900     1.700     1.700 peak  5425 weight  0.10000E+01 volume  0.12452E+01 ppm1      4.688 ppm2      1.718
 OR { 5425}
   (( segid PTB  and resid  119 and name HA2 ))
   (( segid PTB  and resid  118 and name HG1 ))
 ASSI { 5427}
   (( segid PTB  and resid  183 and name HA  ))
   (( segid PTB  and resid  158 and name HG2 ))
      3.100     1.900     1.900 peak  5427 weight  0.10000E+01 volume  0.88640E+00 ppm1      4.605 ppm2      1.809
 OR { 5427}
   (( segid PTB  and resid  183 and name HA  ))
   (( segid PTB  and resid  158 and name HG1 ))
 ASSI { 5428}
   (( segid PTB  and resid  156 and name HA  ))
   (( segid PTB  and resid  154 and name HB2 ))
      3.100     1.900     1.900 peak  5428 weight  0.10000E+01 volume  0.88960E+00 ppm1      4.566 ppm2      1.833
 OR { 5428}
   (( segid PTB  and resid  156 and name HA  ))
   (( segid PTB  and resid  154 and name HB1 ))
 ASSI { 5429}
   (( segid PTB  and resid  179 and name HB1 )
     OR 
    ( segid PTB  and resid  179 and name HB3 )
     OR 
    ( segid PTB  and resid  179 and name HB2 ))
   (( segid PTB  and resid  183 and name HA  ))
      3.200     2.000     2.000 peak  5429 weight  0.10000E+01 volume  0.79597E+00 ppm1      1.619 ppm2      4.605
 ASSI { 5430}
   (( segid PTB  and resid  181 and name HB1 ))
   (( segid PTB  and resid  183 and name HA  ))
      3.300     2.200     2.200 peak  5430 weight  0.10000E+01 volume  0.65225E+00 ppm1      1.892 ppm2      4.611
 OR { 5430}
   (( segid PTB  and resid  181 and name HB2 ))
   (( segid PTB  and resid  183 and name HA  ))
 ASSI { 5437}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      3.100     1.900     1.900 peak  5437 weight  0.10000E+01 volume  0.93773E+00 ppm1      1.259 ppm2      0.293
 ASSI { 5454}
   (( segid PTB  and resid  191 and name HB  ))
   (( segid PTB  and resid  128 and name HD11)
     OR 
    ( segid PTB  and resid  128 and name HD13)
     OR 
    ( segid PTB  and resid  128 and name HD12))
      3.200     2.000     2.000 peak  5454 weight  0.10000E+01 volume  0.81745E+00 ppm1      2.177 ppm2      0.297
 ASSI { 5466}
   (( segid PTB  and resid  118 and name HB2 ))
   (( segid PTB  and resid  118 and name HG1 ))
      2.100     0.900     0.900 peak  5466 weight  0.10000E+01 volume  0.94358E+01 ppm1      2.044 ppm2      1.715
 OR { 5466}
   (( segid PTB  and resid  118 and name HB2 ))
   (( segid PTB  and resid  118 and name HG2 ))
 ASSI { 5473}
   (( segid PTB  and resid  130 and name HG11)
     OR 
    ( segid PTB  and resid  130 and name HG13)
     OR 
    ( segid PTB  and resid  130 and name HG12))
   (( segid PTB  and resid  131 and name HA  ))
      3.200     2.000     2.000 peak  5473 weight  0.10000E+01 volume  0.74648E+00 ppm1      0.635 ppm2      4.891
 ASSI { 5476}
   (( segid PTB  and resid   90 and name HA  ))
   (( segid PTB  and resid   91 and name HG11)
     OR 
    ( segid PTB  and resid   91 and name HG13)
     OR 
    ( segid PTB  and resid   91 and name HG12))
      3.000     1.800     1.800 peak  5476 weight  0.10000E+01 volume  0.11335E+01 ppm1      5.778 ppm2      0.806
 ASSI { 5479}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  110 and name HB1 ))
      3.200     2.000     2.000 peak  5479 weight  0.10000E+01 volume  0.76141E+00 ppm1      2.986 ppm2      1.867
 OR { 5479}
   (( segid PTB  and resid  110 and name HD1 ))
   (( segid PTB  and resid  110 and name HB2 ))
 ASSI { 5487}
   (( segid PTB  and resid  132 and name HB2 ))
   (( segid PTB  and resid  139 and name HG12))
      3.000     1.800     1.800 peak  5487 weight  0.10000E+01 volume  0.11846E+01 ppm1      2.615 ppm2      1.331
 OR { 5487}
   (( segid PTB  and resid  132 and name HB2 ))
   (( segid PTB  and resid  139 and name HG11))
 ASSI { 5489}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  139 and name HG12))
      3.000     1.800     1.800 peak  5489 weight  0.10000E+01 volume  0.11183E+01 ppm1      3.009 ppm2      1.359
 OR { 5489}
   (( segid PTB  and resid  132 and name HB1 ))
   (( segid PTB  and resid  139 and name HG11))
 ASSI { 5494}
   (( segid PTB  and resid  136 and name HG1 ))
   (( segid PTB  and resid  133 and name HA  ))
      3.400     2.300     2.100 peak  5494 weight  0.10000E+01 volume  0.56873E+00 ppm1      1.323 ppm2      4.481
 ASSI { 5495}
   (( segid PTB  and resid   64 and name HA  ))
   (( segid PTB  and resid   65 and name HG1 ))
      3.200     2.000     2.000 peak  5495 weight  0.10000E+01 volume  0.71354E+00 ppm1      4.492 ppm2      1.261
 ASSI { 5499}
   (( segid PTB  and resid  111 and name HG1 ))
   (( segid PTB  and resid  107 and name HD1 ))
      3.000     1.800     1.800 peak  5499 weight  0.10000E+01 volume  0.10857E+01 ppm1      2.560 ppm2      1.738
 ASSI { 5504}
   (( segid PTB  and resid  193 and name HB2 ))
   (( segid PTB  and resid  196 and name HB1 )
     OR 
    ( segid PTB  and resid  196 and name HB3 )
     OR 
    ( segid PTB  and resid  196 and name HB2 ))
      3.000     1.800     1.800 peak  5504 weight  0.10000E+01 volume  0.11472E+01 ppm1      2.576 ppm2      1.582
 ASSI { 5506}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  134 and name HB1 ))
      2.700     1.500     1.500 peak  5506 weight  0.10000E+01 volume  0.21467E+01 ppm1      2.562 ppm2      2.260
 OR { 5506}
   (( segid PTB  and resid  133 and name HB2 ))
   (( segid PTB  and resid  134 and name HB1 ))
 OR { 5506}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  134 and name HB2 ))
 ASSI { 5509}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid   81 and name HA  ))
      3.000     1.800     1.800 peak  5509 weight  0.10000E+01 volume  0.10797E+01 ppm1      1.003 ppm2      4.229
 ASSI { 5510}
   (( segid PTB  and resid  135 and name HG21)
     OR 
    ( segid PTB  and resid  135 and name HG23)
     OR 
    ( segid PTB  and resid  135 and name HG22))
   (( segid PTB  and resid  134 and name HA  ))
      3.000     1.800     1.800 peak  5510 weight  0.10000E+01 volume  0.11623E+01 ppm1      1.254 ppm2      4.242
 ASSI { 5520}
   (( segid PTB  and resid  170 and name HG1 ))
   (( segid PTB  and resid  169 and name HA  ))
      3.000     1.800     1.800 peak  5520 weight  0.10000E+01 volume  0.10731E+01 ppm1      1.518 ppm2      4.407
 OR { 5520}
   (( segid PTB  and resid  170 and name HG2 ))
   (( segid PTB  and resid  169 and name HA  ))
 ASSI { 5527}
   (( segid PTB  and resid  137 and name HA1 ))
   (( segid PTB  and resid  135 and name HB  ))
      3.200     2.000     2.000 peak  5527 weight  0.10000E+01 volume  0.77193E+00 ppm1      4.185 ppm2      4.402
 ASSI { 5533}
   (( segid PTB  and resid  136 and name HG2 ))
   (( segid PTB  and resid  136 and name HB1 ))
      3.100     1.900     1.900 peak  5533 weight  0.10000E+01 volume  0.10087E+01 ppm1      1.436 ppm2      2.004
 ASSI { 5535}
   (( segid PTB  and resid  136 and name HB1 ))
   (( segid PTB  and resid  136 and name HD1 ))
      2.800     1.600     1.600 peak  5535 weight  0.10000E+01 volume  0.15811E+01 ppm1      1.987 ppm2      1.588
 ASSI { 5536}
   (( segid PTB  and resid  136 and name HB2 ))
   (( segid PTB  and resid  136 and name HG1 ))
      3.100     1.900     1.900 peak  5536 weight  0.10000E+01 volume  0.90000E+00 ppm1      2.201 ppm2      1.297
 ASSI { 5537}
   (( segid PTB  and resid  136 and name HB2 ))
   (( segid PTB  and resid  136 and name HG2 ))
      2.800     1.600     1.600 peak  5537 weight  0.10000E+01 volume  0.15456E+01 ppm1      2.230 ppm2      1.428
 ASSI { 5539}
   (( segid PTB  and resid  186 and name HA  ))
   (( segid PTB  and resid  185 and name HB2 ))
      3.200     2.000     2.000 peak  5539 weight  0.10000E+01 volume  0.73432E+00 ppm1      3.029 ppm2      2.259
 OR { 5539}
   (( segid PTB  and resid  186 and name HA  ))
   (( segid PTB  and resid  185 and name HB1 ))
 OR { 5539}
   (( segid PTB  and resid  186 and name HD1 ))
   (( segid PTB  and resid  185 and name HB2 ))
 OR { 5539}
   (( segid PTB  and resid  186 and name HD2 ))
   (( segid PTB  and resid  185 and name HB2 ))
 OR { 5539}
   (( segid PTB  and resid  186 and name HD1 ))
   (( segid PTB  and resid  185 and name HB1 ))
 OR { 5539}
   (( segid PTB  and resid  186 and name HD2 ))
   (( segid PTB  and resid  185 and name HB1 ))
 ASSI { 5541}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  107 and name HG2 ))
      3.200     2.000     2.000 peak  5541 weight  0.10000E+01 volume  0.83346E+00 ppm1      2.423 ppm2      1.308
 OR { 5541}
   (( segid PTB  and resid  111 and name HG2 ))
   (( segid PTB  and resid  107 and name HG1 ))
 ASSI { 5543}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  181 and name HG1 ))
      3.000     1.800     1.800 peak  5543 weight  0.10000E+01 volume  0.11146E+01 ppm1      6.966 ppm2      1.389
 OR { 5543}
   (( segid PTB  and resid   83 and name HD1 )
     OR 
    ( segid PTB  and resid   83 and name HD2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 OR { 5543}
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
   (( segid PTB  and resid  181 and name HG2 ))
 OR { 5543}
   (( segid PTB  and resid   83 and name HE1 )
     OR 
    ( segid PTB  and resid   83 and name HE2 ))
   (( segid PTB  and resid  181 and name HG1 ))
 ASSI { 5554}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  161 and name HB2 ))
      3.000     1.800     1.800 peak  5554 weight  0.10000E+01 volume  0.12114E+01 ppm1      0.867 ppm2      3.588
 OR { 5554}
   (( segid PTB  and resid  106 and name HD11)
     OR 
    ( segid PTB  and resid  106 and name HD13)
     OR 
    ( segid PTB  and resid  106 and name HD12))
   (( segid PTB  and resid  161 and name HB1 ))
 OR { 5554}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  161 and name HB2 ))
 OR { 5554}
   (( segid PTB  and resid  106 and name HD21)
     OR 
    ( segid PTB  and resid  106 and name HD23)
     OR 
    ( segid PTB  and resid  106 and name HD22))
   (( segid PTB  and resid  161 and name HB1 ))
 ASSI { 5570}
   (( segid PTB  and resid  138 and name HG  ))
   (( segid PTB  and resid  140 and name HA  ))
      3.400     2.300     2.100 peak  5570 weight  0.10000E+01 volume  0.56319E+00 ppm1      1.464 ppm2      4.102
 ASSI { 5585}
   (( segid PTB  and resid  178 and name HB1 ))
   (( segid PTB  and resid  178 and name HG  ))
      3.100     1.900     1.900 peak  5585 weight  0.10000E+01 volume  0.90000E+00 ppm1      1.378 ppm2      1.568
 ASSI { 5589}
   (( segid PTB  and resid  152 and name HB1 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
      3.300     2.200     2.200 peak  5589 weight  0.10000E+01 volume  0.66758E+00 ppm1      3.948 ppm2      1.549
 OR { 5589}
   (( segid PTB  and resid  152 and name HB2 ))
   (( segid PTB  and resid  151 and name HB1 )
     OR 
    ( segid PTB  and resid  151 and name HB3 )
     OR 
    ( segid PTB  and resid  151 and name HB2 ))
 ASSI { 5599}
   (( segid PTB  and resid  154 and name HD2 ))
   (( segid PTB  and resid  154 and name HA  ))
      3.100     1.900     1.900 peak  5599 weight  0.10000E+01 volume  0.10051E+01 ppm1      3.311 ppm2      4.109
 ASSI { 5603}
   (( segid PTB  and resid  155 and name HA  ))
   (( segid PTB  and resid  158 and name HG1 ))
      3.300     2.200     2.200 peak  5603 weight  0.10000E+01 volume  0.59378E+00 ppm1      4.786 ppm2      1.810
 OR { 5603}
   (( segid PTB  and resid  155 and name HA  ))
   (( segid PTB  and resid  158 and name HG2 ))
 ASSI { 5610}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  124 and name HA  ))
      3.000     1.800     1.800 peak  5610 weight  0.10000E+01 volume  0.11742E+01 ppm1      1.003 ppm2      5.183
 ASSI { 5611}
   (( segid PTB  and resid  194 and name HB1 )
     OR 
    ( segid PTB  and resid  194 and name HB3 )
     OR 
    ( segid PTB  and resid  194 and name HB2 ))
   (( segid PTB  and resid  124 and name HA  ))
      3.200     2.000     2.000 peak  5611 weight  0.10000E+01 volume  0.72094E+00 ppm1      1.282 ppm2      5.185
 ASSI { 5612}
   (( segid PTB  and resid   81 and name HB2 ))
   (( segid PTB  and resid  124 and name HA  ))
      3.200     2.000     2.000 peak  5612 weight  0.10000E+01 volume  0.71220E+00 ppm1      2.162 ppm2      5.182
 ASSI { 5617}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  118 and name HB1 ))
      3.100     1.900     1.900 peak  5617 weight  0.10000E+01 volume  0.10009E+01 ppm1      2.591 ppm2      1.839
 OR { 5617}
   (( segid PTB  and resid  133 and name HB2 ))
   (( segid PTB  and resid  118 and name HB1 ))
 ASSI { 5631}
   (( segid PTB  and resid  128 and name HA  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      3.300     2.200     2.200 peak  5631 weight  0.10000E+01 volume  0.59310E+00 ppm1      5.301 ppm2      0.725
 ASSI { 5632}
   (( segid PTB  and resid   76 and name HG21)
     OR 
    ( segid PTB  and resid   76 and name HG23)
     OR 
    ( segid PTB  and resid   76 and name HG22))
   (( segid PTB  and resid  193 and name HB1 ))
      3.100     1.900     1.900 peak  5632 weight  0.10000E+01 volume  0.99481E+00 ppm1      1.004 ppm2      3.093
 ASSI { 5634}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  174 and name HB2 ))
      3.100     1.900     1.900 peak  5634 weight  0.10000E+01 volume  0.90000E+00 ppm1      0.799 ppm2      2.466
 OR { 5634}
   (( segid PTB  and resid   93 and name HG11)
     OR 
    ( segid PTB  and resid   93 and name HG13)
     OR 
    ( segid PTB  and resid   93 and name HG12))
   (( segid PTB  and resid  174 and name HB1 ))
 ASSI { 5645}
   (( segid PTB  and resid  191 and name HA  ))
   (( segid PTB  and resid  123 and name HG21)
     OR 
    ( segid PTB  and resid  123 and name HG23)
     OR 
    ( segid PTB  and resid  123 and name HG22))
      2.900     1.700     1.700 peak  5645 weight  0.10000E+01 volume  0.12500E+01 ppm1      2.994 ppm2      0.711
 ASSI { 5647}
   (( segid PTB  and resid  133 and name HB2 ))
   (( segid PTB  and resid  136 and name HD2 ))
      3.100     1.900     1.900 peak  5647 weight  0.10000E+01 volume  0.90000E+00 ppm1      2.580 ppm2      1.707
 OR { 5647}
   (( segid PTB  and resid  133 and name HB1 ))
   (( segid PTB  and resid  136 and name HD2 ))
 ASSI { 5652}
   (( segid PTB  and resid   73 and name HA  ))
   (( segid PTB  and resid  193 and name HB1 ))
      3.300     2.200     2.200 peak  5652 weight  0.10000E+01 volume  0.67349E+00 ppm1      3.851 ppm2      3.068
 ASSI {    6}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HA  ))
      2.900     1.700     1.700 peak     6 weight  0.10000E+01 volume  0.35500E+00 ppm1      7.718 ppm2      4.319
 ASSI {    8}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 4    and name HA1 ))
      2.900     1.700     1.700 peak     8 weight  0.10000E+01 volume  0.33800E+00 ppm1      7.033 ppm2      2.468
 ASSI {   12}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 2    and name HB2 ))
      2.900     1.700     1.700 peak    12 weight  0.10000E+01 volume  0.34941E+00 ppm1      7.033 ppm2      3.128
 ASSI {   14}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 2    and name HA  ))
      2.900     1.700     1.700 peak    14 weight  0.10000E+01 volume  0.37712E+00 ppm1      7.035 ppm2      5.824
 ASSI {   16}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 7    and name HG  ))
      2.800     1.600     1.600 peak    16 weight  0.10000E+01 volume  0.40890E+00 ppm1      7.071 ppm2      1.527
 ASSI {   20}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 3    and name HA  ))
      3.200     2.000     2.000 peak    20 weight  0.10000E+01 volume  0.22282E+00 ppm1      7.084 ppm2      4.325
 ASSI {   22}
   (( segid GPPY and resid 6    and name HD2 ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
      3.000     1.800     1.800 peak    22 weight  0.10000E+01 volume  0.27918E+00 ppm1      7.370 ppm2      0.861
 OR {   22}
   (( segid GPPY and resid 6    and name HD1 ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
 OR {   22}
   (( segid GPPY and resid 6    and name HD2 ))
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
 ASSI {   25}
   (( segid GPPY and resid 6    and name HD2 ))
   (( segid GPPY and resid 3    and name HA  ))
      3.100     1.900     1.900 peak    25 weight  0.10000E+01 volume  0.22723E+00 ppm1      7.379 ppm2      4.320
 OR {   25}
   (( segid GPPY and resid 6    and name HD1 ))
   (( segid GPPY and resid 3    and name HA  ))
 ASSI {   26}
   (( segid GPPY and resid 6    and name HE2 ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
      2.800     1.600     1.600 peak    26 weight  0.10000E+01 volume  0.50413E+00 ppm1      7.131 ppm2      0.862
 OR {   26}
   (( segid GPPY and resid 6    and name HE1 ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
 OR {   26}
   (( segid GPPY and resid 6    and name HE2 ))
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
 ASSI {   35}
   (( segid GPPY and resid 7    and name HB1 ))
   (( segid GPPY and resid 7    and name HN  ))
      2.900     1.700     1.700 peak    35 weight  0.10000E+01 volume  0.40160E+00 ppm1      1.507 ppm2      7.086
 OR {   35}
   (( segid GPPY and resid 7    and name HB2 ))
   (( segid GPPY and resid 7    and name HN  ))
 OR {   35}
   (( segid GPPY and resid 7    and name HG  ))
   (( segid GPPY and resid 7    and name HN  ))
 ASSI {   44}
   (( segid GPPY and resid 6    and name HE1 ))
   (( segid GPPY and resid 6    and name HD1 ))
      1.900     0.700     0.700 peak    44 weight  0.10000E+01 volume  0.49788E+01 ppm1      7.130 ppm2      7.386
 OR {   44}
   (( segid GPPY and resid 6    and name HE2 ))
   (( segid GPPY and resid 6    and name HD2 ))
 ASSI {    2}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 4    and name HA1 ))
      2.800     1.600     1.600 peak     2 weight  0.10000E+01 volume  0.10546E+01 ppm1      7.715 ppm2      2.517
 ASSI {    3}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 4    and name HA2 ))
      3.000     1.800     1.800 peak     3 weight  0.10000E+01 volume  0.74939E+00 ppm1      7.711 ppm2      2.736
 ASSI {    4}
   (( segid GPPY and resid 3    and name HN  ))
   (( segid GPPY and resid 3    and name HB  ))
      2.800     1.600     1.600 peak     4 weight  0.10000E+01 volume  0.11665E+01 ppm1      8.439 ppm2      1.928
 ASSI {    5}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 7    and name HA  ))
      2.200     1.000     1.000 peak     5 weight  0.10000E+01 volume  0.41092E+01 ppm1      7.085 ppm2      4.103
 ASSI {    8}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HG21)
     OR 
    ( segid GPPY and resid 3    and name HG23)
     OR 
    ( segid GPPY and resid 3    and name HG22))
      2.500     1.300     1.300 peak     8 weight  0.10000E+01 volume  0.22772E+01 ppm1      7.714 ppm2      1.202
 ASSI {    9}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
      2.900     1.700     1.700 peak     9 weight  0.10000E+01 volume  0.86259E+00 ppm1      7.714 ppm2      1.033
 ASSI {   10}
   (( segid GPPY and resid 2    and name HN  ))
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
      2.400     1.200     1.200 peak    10 weight  0.10000E+01 volume  0.27998E+01 ppm1      8.326 ppm2      1.432
 ASSI {   11}
   (( segid GPPY and resid 2    and name HN  ))
   (( segid GPPY and resid 1    and name HA  ))
      2.900     1.700     1.700 peak    11 weight  0.10000E+01 volume  0.92353E+00 ppm1      8.323 ppm2      4.925
 ASSI {   12}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 1    and name HA  ))
      2.500     1.300     1.300 peak    12 weight  0.10000E+01 volume  0.20354E+01 ppm1      1.433 ppm2      4.926
 ASSI {   13}
   (( segid GPPY and resid 2    and name HN  ))
   (( segid GPPY and resid 2    and name HB1 ))
      3.000     1.800     1.800 peak    13 weight  0.10000E+01 volume  0.72170E+00 ppm1      8.328 ppm2      3.042
 ASSI {   15}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 2    and name HB1 ))
      2.500     1.300     1.300 peak    15 weight  0.10000E+01 volume  0.21719E+01 ppm1      7.018 ppm2      3.066
 ASSI {   16}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 2    and name HN  ))
      2.600     1.400     1.400 peak    16 weight  0.10000E+01 volume  0.15780E+01 ppm1      7.017 ppm2      8.332
 ASSI {   18}
   (( segid GPPY and resid 2    and name HE1 )
     OR 
    ( segid GPPY and resid 2    and name HE2 ))
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
      2.000     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.80179E+01 ppm1      6.613 ppm2      7.022
 ASSI {   19}
   (( segid GPPY and resid 2    and name HE1 )
     OR 
    ( segid GPPY and resid 2    and name HE2 ))
   (( segid GPPY and resid 2    and name HB1 ))
      3.000     1.800     1.800 peak    19 weight  0.10000E+01 volume  0.76619E+00 ppm1      6.618 ppm2      3.071
 ASSI {   22}
   (( segid GPPY and resid 3    and name HN  ))
   (( segid GPPY and resid 3    and name HG21)
     OR 
    ( segid GPPY and resid 3    and name HG23)
     OR 
    ( segid GPPY and resid 3    and name HG22))
      3.000     1.800     1.800 peak    22 weight  0.10000E+01 volume  0.70912E+00 ppm1      8.434 ppm2      1.202
 ASSI {   23}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 7    and name HB1 ))
      2.200     1.000     1.000 peak    23 weight  0.10000E+01 volume  0.47995E+01 ppm1      7.084 ppm2      1.480
 OR {   23}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 7    and name HB2 ))
 ASSI {   24}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
      2.500     1.300     1.300 peak    24 weight  0.10000E+01 volume  0.19506E+01 ppm1      7.086 ppm2      0.851
 OR {   24}
   (( segid GPPY and resid 7    and name HN  ))
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
 ASSI {   26}
   (( segid GPPY and resid 5    and name HG1 ))
   (( segid GPPY and resid 5    and name HD1 ))
      2.700     1.500     1.500 peak    26 weight  0.10000E+01 volume  0.13837E+01 ppm1      2.080 ppm2      3.494
 ASSI {   27}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid GPPY and resid 5    and name HD1 ))
      2.700     1.500     1.500 peak    27 weight  0.10000E+01 volume  0.13687E+01 ppm1      1.787 ppm2      3.504
 ASSI {   29}
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
   (( segid GPPY and resid 7    and name HA  ))
      1.900     0.700     0.700 peak    29 weight  0.10000E+01 volume  0.11368E+02 ppm1      0.841 ppm2      4.102
 OR {   29}
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
   (( segid GPPY and resid 7    and name HA  ))
 ASSI {   30}
   (( segid GPPY and resid 3    and name HG21)
     OR 
    ( segid GPPY and resid 3    and name HG23)
     OR 
    ( segid GPPY and resid 3    and name HG22))
   (( segid GPPY and resid 3    and name HA  ))
      2.300     1.100     1.100 peak    30 weight  0.10000E+01 volume  0.37540E+01 ppm1      1.201 ppm2      4.302
 ASSI {   31}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid GPPY and resid 3    and name HA  ))
      2.400     1.200     1.200 peak    31 weight  0.10000E+01 volume  0.26155E+01 ppm1      1.034 ppm2      4.304
 ASSI {   32}
   (( segid GPPY and resid 3    and name HG21)
     OR 
    ( segid GPPY and resid 3    and name HG23)
     OR 
    ( segid GPPY and resid 3    and name HG22))
   (( segid GPPY and resid 3    and name HB  ))
      2.000     0.800     0.800 peak    32 weight  0.10000E+01 volume  0.91628E+01 ppm1      1.199 ppm2      1.915
 ASSI {   33}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid GPPY and resid 3    and name HG12))
      2.000     0.800     0.800 peak    33 weight  0.10000E+01 volume  0.93364E+01 ppm1      1.033 ppm2      1.843
 ASSI {   34}
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
   (( segid GPPY and resid 7    and name HB1 ))
      1.800     0.600     0.600 peak    34 weight  0.10000E+01 volume  0.15308E+02 ppm1      0.851 ppm2      1.485
 OR {   34}
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
   (( segid GPPY and resid 7    and name HB1 ))
 OR {   34}
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
   (( segid GPPY and resid 7    and name HB2 ))
 OR {   34}
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
   (( segid GPPY and resid 7    and name HB2 ))
 ASSI {   35}
   (( segid GPPY and resid 3    and name HG11))
   (( segid GPPY and resid 3    and name HG12))
      2.100     0.900     0.900 peak    35 weight  0.10000E+01 volume  0.54550E+01 ppm1      1.389 ppm2      1.843
 ASSI {   36}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 5    and name HB2 ))
      2.400     1.200     1.200 peak    36 weight  0.10000E+01 volume  0.29687E+01 ppm1      1.431 ppm2      1.997
 ASSI {   37}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 5    and name HB1 ))
      2.300     1.100     1.100 peak    37 weight  0.10000E+01 volume  0.36582E+01 ppm1      1.433 ppm2      2.197
 ASSI {   38}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid GPPY and resid 5    and name HG1 ))
      2.100     0.900     0.900 peak    38 weight  0.10000E+01 volume  0.58469E+01 ppm1      1.786 ppm2      2.082
 ASSI {   39}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid GPPY and resid 5    and name HB1 ))
      2.400     1.200     1.200 peak    39 weight  0.10000E+01 volume  0.24727E+01 ppm1      1.789 ppm2      2.220
 ASSI {   40}
   (( segid GPPY and resid 5    and name HB2 ))
   (( segid GPPY and resid 5    and name HB1 ))
      2.100     0.900     0.900 peak    40 weight  0.10000E+01 volume  0.62591E+01 ppm1      1.973 ppm2      2.221
 ASSI {   41}
   (( segid GPPY and resid 5    and name HG2 ))
   (( segid GPPY and resid 5    and name HD2 ))
      2.800     1.600     1.600 peak    41 weight  0.10000E+01 volume  0.10177E+01 ppm1      1.788 ppm2      2.604
 ASSI {   47}
   (( segid GPPY and resid 3    and name HG12))
   (( segid GPPY and resid 3    and name HA  ))
      2.600     1.400     1.400 peak    47 weight  0.10000E+01 volume  0.15148E+01 ppm1      1.799 ppm2      4.301
 ASSI {   49}
   (( segid GPPY and resid 7    and name HG  ))
   (( segid GPPY and resid 3    and name HA  ))
      2.900     1.700     1.700 peak    49 weight  0.10000E+01 volume  0.83010E+00 ppm1      1.546 ppm2      4.308
 ASSI {   50}
   (( segid GPPY and resid 7    and name HB1 ))
   (( segid GPPY and resid 3    and name HA  ))
      2.800     1.600     1.600 peak    50 weight  0.10000E+01 volume  0.11908E+01 ppm1      1.480 ppm2      4.317
 OR {   50}
   (( segid GPPY and resid 7    and name HB2 ))
   (( segid GPPY and resid 3    and name HA  ))
 ASSI {   51}
   (( segid GPPY and resid 3    and name HG11))
   (( segid GPPY and resid 3    and name HA  ))
      2.600     1.400     1.400 peak    51 weight  0.10000E+01 volume  0.15728E+01 ppm1      1.403 ppm2      4.301
 ASSI {   53}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 5    and name HB2 ))
      3.000     1.800     1.800 peak    53 weight  0.10000E+01 volume  0.76069E+00 ppm1      7.021 ppm2      2.008
 ASSI {   57}
   (( segid GPPY and resid 3    and name HN  ))
   (( segid GPPY and resid 2    and name HB2 ))
      3.100     1.900     1.900 peak    57 weight  0.10000E+01 volume  0.54469E+00 ppm1      8.431 ppm2      3.132
 ASSI {   58}
   (( segid GPPY and resid 3    and name HN  ))
   (( segid GPPY and resid 2    and name HB1 ))
      3.200     2.000     2.000 peak    58 weight  0.10000E+01 volume  0.50866E+00 ppm1      8.429 ppm2      3.037
 ASSI {   68}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
      3.200     2.000     2.000 peak    68 weight  0.10000E+01 volume  0.52569E+00 ppm1      7.733 ppm2      0.826
 OR {   68}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
 ASSI {   70}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 5    and name HG2 ))
      3.300     2.200     2.200 peak    70 weight  0.10000E+01 volume  0.42576E+00 ppm1      7.748 ppm2      1.759
 ASSI {   71}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HB  ))
      3.200     2.000     2.000 peak    71 weight  0.10000E+01 volume  0.48045E+00 ppm1      7.724 ppm2      1.897
 ASSI {   74}
   (( segid GPPY and resid 4    and name HN  ))
   (( segid GPPY and resid 3    and name HG12))
      3.200     2.000     2.000 peak    74 weight  0.10000E+01 volume  0.50344E+00 ppm1      7.680 ppm2      1.856
 ASSI {   78}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 3    and name HB  ))
      3.000     1.800     1.800 peak    78 weight  0.10000E+01 volume  0.73795E+00 ppm1      7.024 ppm2      1.892
 ASSI {   82}
   (( segid GPPY and resid 2    and name HD1 )
     OR 
    ( segid GPPY and resid 2    and name HD2 ))
   (( segid GPPY and resid 4    and name HA2 ))
      3.200     2.000     2.000 peak    82 weight  0.10000E+01 volume  0.52084E+00 ppm1      6.974 ppm2      2.766
 ASSI {   89}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid GPPY and resid 7    and name HB1 ))
      1.900     0.700     0.700 peak    89 weight  0.10000E+01 volume  0.99552E+01 ppm1      4.099 ppm2      1.480
 OR {   89}
   (( segid GPPY and resid 7    and name HA  ))
   (( segid GPPY and resid 7    and name HB2 ))
 ASSI {   94}
   (( segid GPPY and resid 3    and name HA  ))
   (( segid GPPY and resid 3    and name HB  ))
      2.700     1.500     1.500 peak    94 weight  0.10000E+01 volume  0.14581E+01 ppm1      4.299 ppm2      1.910
 ASSI {   95}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 5    and name HB1 ))
      2.200     1.000     1.000 peak    95 weight  0.10000E+01 volume  0.49772E+01 ppm1      4.245 ppm2      2.222
 ASSI {   96}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 5    and name HG1 ))
      2.700     1.500     1.500 peak    96 weight  0.10000E+01 volume  0.14021E+01 ppm1      4.240 ppm2      2.080
 ASSI {   97}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 5    and name HB2 ))
      2.300     1.100     1.100 peak    97 weight  0.10000E+01 volume  0.34150E+01 ppm1      4.244 ppm2      1.981
 ASSI {   98}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 5    and name HG2 ))
      2.600     1.400     1.400 peak    98 weight  0.10000E+01 volume  0.18338E+01 ppm1      4.249 ppm2      1.791
 ASSI {  101}
   (( segid GPPY and resid 5    and name HD1 ))
   (( segid GPPY and resid 5    and name HB1 ))
      3.000     1.800     1.800 peak   101 weight  0.10000E+01 volume  0.72890E+00 ppm1      3.499 ppm2      2.207
 ASSI {  103}
   (( segid GPPY and resid 5    and name HD1 ))
   (( segid GPPY and resid 5    and name HB2 ))
      3.100     1.900     1.900 peak   103 weight  0.10000E+01 volume  0.63052E+00 ppm1      3.489 ppm2      1.996
 ASSI {  105}
   (( segid GPPY and resid 5    and name HD1 ))
   (( segid GPPY and resid 4    and name HA2 ))
      2.700     1.500     1.500 peak   105 weight  0.10000E+01 volume  0.13914E+01 ppm1      3.488 ppm2      2.687
 ASSI {  106}
   (( segid GPPY and resid 5    and name HD1 ))
   (( segid GPPY and resid 5    and name HD2 ))
      2.500     1.300     1.300 peak   106 weight  0.10000E+01 volume  0.22307E+01 ppm1      3.491 ppm2      2.605
 ASSI {  114}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 4    and name HA1 ))
      3.100     1.900     1.900 peak   114 weight  0.10000E+01 volume  0.58865E+00 ppm1      4.250 ppm2      2.477
 ASSI {  116}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 5    and name HD2 ))
      2.900     1.700     1.700 peak   116 weight  0.10000E+01 volume  0.85679E+00 ppm1      4.247 ppm2      2.637
 ASSI {  117}
   (( segid GPPY and resid 5    and name HA  ))
   (( segid GPPY and resid 4    and name HA2 ))
      3.200     2.000     2.000 peak   117 weight  0.10000E+01 volume  0.49705E+00 ppm1      4.234 ppm2      2.692
 ASSI {  124}
   (( segid GPPY and resid 3    and name HB  ))
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
      2.300     1.100     1.100 peak   124 weight  0.10000E+01 volume  0.35602E+01 ppm1      1.912 ppm2      1.036
 ASSI {  126}
   (( segid GPPY and resid 3    and name HG12))
   (( segid GPPY and resid 3    and name HG21)
     OR 
    ( segid GPPY and resid 3    and name HG23)
     OR 
    ( segid GPPY and resid 3    and name HG22))
      2.300     1.100     1.100 peak   126 weight  0.10000E+01 volume  0.35949E+01 ppm1      1.849 ppm2      1.203
 ASSI {  129}
   (( segid GPPY and resid 5    and name HD2 ))
   (( segid GPPY and resid 5    and name HB1 ))
      2.900     1.700     1.700 peak   129 weight  0.10000E+01 volume  0.81270E+00 ppm1      2.602 ppm2      2.207
 ASSI {  131}
   (( segid GPPY and resid 5    and name HD2 ))
   (( segid GPPY and resid 5    and name HG1 ))
      2.900     1.700     1.700 peak   131 weight  0.10000E+01 volume  0.82043E+00 ppm1      2.594 ppm2      2.073
 ASSI {  134}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 5    and name HD2 ))
      2.600     1.400     1.400 peak   134 weight  0.10000E+01 volume  0.18462E+01 ppm1      1.428 ppm2      2.641
 ASSI {  136}
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
   (( segid GPPY and resid 2    and name HB1 ))
      2.400     1.200     1.200 peak   136 weight  0.10000E+01 volume  0.27226E+01 ppm1      1.035 ppm2      3.033
 ASSI {  138}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 2    and name HB1 ))
      3.000     1.800     1.800 peak   138 weight  0.10000E+01 volume  0.76968E+00 ppm1      1.450 ppm2      3.007
 ASSI {  141}
   (( segid GPPY and resid 3    and name HB  ))
   (( segid GPPY and resid 2    and name HB1 ))
      3.000     1.800     1.800 peak   141 weight  0.10000E+01 volume  0.76492E+00 ppm1      1.930 ppm2      3.033
 ASSI {  142}
   (( segid GPPY and resid 3    and name HG11))
   (( segid GPPY and resid 3    and name HD11)
     OR 
    ( segid GPPY and resid 3    and name HD13)
     OR 
    ( segid GPPY and resid 3    and name HD12))
      2.100     0.900     0.900 peak   142 weight  0.10000E+01 volume  0.58574E+01 ppm1      1.389 ppm2      1.036
 ASSI {  143}
   (( segid GPPY and resid 7    and name HG  ))
   (( segid GPPY and resid 7    and name HD21)
     OR 
    ( segid GPPY and resid 7    and name HD23)
     OR 
    ( segid GPPY and resid 7    and name HD22))
      1.900     0.700     0.700 peak   143 weight  0.10000E+01 volume  0.11149E+02 ppm1      1.540 ppm2      0.851
 OR {  143}
   (( segid GPPY and resid 7    and name HG  ))
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
 ASSI {  152}
   (( segid GPPY and resid 7    and name HD11)
     OR 
    ( segid GPPY and resid 7    and name HD13)
     OR 
    ( segid GPPY and resid 7    and name HD12))
   (( segid GPPY and resid 3    and name HA  ))
      2.800     1.600     1.600 peak   152 weight  0.10000E+01 volume  0.10831E+01 ppm1      0.845 ppm2      4.302
 ASSI {  154}
   (( segid GPPY and resid 1    and name HB1 )
     OR 
    ( segid GPPY and resid 1    and name HB3 )
     OR 
    ( segid GPPY and resid 1    and name HB2 ))
   (( segid GPPY and resid 5    and name HD1 ))
      2.800     1.600     1.600 peak   154 weight  0.10000E+01 volume  0.10851E+01 ppm1      1.429 ppm2      3.473
 ASSI {  156}
   (( segid GPPY and resid 4    and name HA1 ))
   (( segid GPPY and resid 5    and name HD1 ))
      2.900     1.700     1.700 peak   156 weight  0.10000E+01 volume  0.91688E+00 ppm1      2.536 ppm2      3.509

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    HA   SER  64           HA       SER  64 -14.371  14.976  14.976
    2   1HB   SER  64          1HB       SER  64 -13.835  17.185  17.185
    3   2HB   SER  64          2HB       SER  64 -12.330  16.347  16.347
    4    HG   SER  64           HG       SER  64 -12.274  17.396  17.396
    5    H    LYS  65           H        LYS  65 -15.669  13.209  13.209
    6    HA   LYS  65           HA       LYS  65 -17.347  12.724  12.724
    7   1HB   LYS  65          1HB       LYS  65 -17.744  15.409  15.409
    8   2HB   LYS  65          2HB       LYS  65 -18.355  15.269  15.269
    9   1HG   LYS  65          2HG       LYS  65 -19.453  13.073  13.073
   10   2HG   LYS  65          1HG       LYS  65 -19.280  13.947  13.947
   11   1HD   LYS  65          2HD       LYS  65 -20.922  15.385  15.385
   12   2HD   LYS  65          1HD       LYS  65 -20.356  15.582  15.582
   13   1HE   LYS  65          1HE       LYS  65 -21.893  14.172  14.172
   14   2HE   LYS  65          2HE       LYS  65 -21.455  12.947  12.947
   15   1HZ   LYS  65          3HZ       LYS  65 -23.008  15.216  15.216
   16   2HZ   LYS  65          2HZ       LYS  65 -23.817  14.122  14.122
   17   3HZ   LYS  65          1HZ       LYS  65 -23.098  13.582  13.582
   18    HA   PRO  66           HA       PRO  66 -16.580  12.976  12.976
   19   1HB   PRO  66          2HB       PRO  66 -18.845  14.907  14.907
   20   2HB   PRO  66          1HB       PRO  66 -18.447  13.475  13.475
   21   1HG   PRO  66          2HG       PRO  66 -20.384  13.383  13.383
   22   2HG   PRO  66          1HG       PRO  66 -19.277  12.014  12.014
   23   1HD   PRO  66          2HD       PRO  66 -19.394  14.038  14.038
   24   2HD   PRO  66          1HD       PRO  66 -18.868  12.344  12.344
   25    H    HIS  67           H        HIS  67 -14.672  14.036  14.036
   26    HA   HIS  67           HA       HIS  67 -14.485  16.418  16.418
   27   1HB   HIS  67          1HB       HIS  67 -14.874  16.815  16.815
   28   2HB   HIS  67          2HB       HIS  67 -13.386  17.558  17.558
   29    HD1  HIS  67           HD1      HIS  67 -15.564  19.426  19.426
   30    HD2  HIS  67           HD2      HIS  67 -15.269  18.099  18.099
   31    HE1  HIS  67           HE1      HIS  67 -16.793  21.123  21.123
   32    H    GLN  68           H        GLN  68 -12.588  15.787  15.787
   33    HA   GLN  68           HA       GLN  68 -10.247  15.298  15.298
   34   1HB   GLN  68          1HB       GLN  68 -10.578  16.044  16.044
   35   2HB   GLN  68          2HB       GLN  68  -9.041  15.475  15.475
   36   1HG   GLN  68          2HG       GLN  68  -8.736  17.351  17.351
   37   2HG   GLN  68          1HG       GLN  68 -10.454  17.748  17.748
   38   1HE2  GLN  68          2HE2      GLN  68  -8.344  19.919  19.919
   39   2HE2  GLN  68          1HE2      GLN  68  -8.022  19.305  19.305
   40    H    TRP  69           H        TRP  69 -12.258  13.827  13.827
   41    HA   TRP  69           HA       TRP  69 -10.686  11.569  11.569
   42   1HB   TRP  69          1HB       TRP  69 -13.120  12.541  12.541
   43   2HB   TRP  69          2HB       TRP  69 -13.565  11.059  11.059
   44    HD1  TRP  69           HD1      TRP  69 -10.525  11.776  11.776
   45    HE1  TRP  69           HE1      TRP  69 -10.498   9.979   9.979
   46    HE3  TRP  69           HE3      TRP  69 -14.783   9.250   9.250
   47    HZ2  TRP  69          2HZ       TRP  69 -12.077   7.783   7.783
   48    HZ3  TRP  69           HZ3      TRP  69 -15.455   7.311   7.311
   49    HH2  TRP  69           HH2      TRP  69 -14.129   6.594   6.594
   50    H    GLN  70           H        GLN  70 -12.869  12.334  12.334
   51    HA   GLN  70           HA       GLN  70 -13.152   9.717   9.717
   52   1HB   GLN  70          1HB       GLN  70 -14.178  10.732  10.732
   53   2HB   GLN  70          2HB       GLN  70 -14.550  11.803  11.803
   54   1HG   GLN  70          1HG       GLN  70 -12.805  13.329  13.329
   55   2HG   GLN  70          2HG       GLN  70 -12.351  12.245  12.245
   56   1HE2  GLN  70          2HE2      GLN  70 -14.487  13.814  13.814
   57   2HE2  GLN  70          1HE2      GLN  70 -12.983  13.029  13.029
   58    H    ALA  71           H        ALA  71 -10.726  12.177  12.177
   59    HA   ALA  71           HA       ALA  71  -9.379  11.118  11.118
   60   1HB   ALA  71          1HB       ALA  71  -9.070  13.359  13.359
   61   2HB   ALA  71          3HB       ALA  71  -7.518  12.598  12.598
   62   3HB   ALA  71          2HB       ALA  71  -8.538  13.171  13.171
   63    H    ASP  72           H        ASP  72  -8.506  11.134  11.134
   64    HA   ASP  72           HA       ASP  72  -6.267   9.491   9.491
   65   1HB   ASP  72          1HB       ASP  72  -6.279   9.274   9.274
   66   2HB   ASP  72          2HB       ASP  72  -6.943  10.869  10.869
   67    H    GLU  73           H        GLU  73  -9.665   8.668   8.668
   68    HA   GLU  73           HA       GLU  73  -9.366   5.934   5.934
   69   1HB   GLU  73          1HB       GLU  73 -11.493   7.376   7.376
   70   2HB   GLU  73          2HB       GLU  73 -11.622   7.070   7.070
   71   1HG   GLU  73          1HG       GLU  73 -12.153   4.872   4.872
   72   2HG   GLU  73          2HG       GLU  73 -11.275   4.742   4.742
   73    H    GLU  74           H        GLU  74  -9.063   7.750   7.750
   74    HA   GLU  74           HA       GLU  74  -9.048   5.339   5.339
   75   1HB   GLU  74          2HB       GLU  74 -10.017   7.790   7.790
   76   2HB   GLU  74          1HB       GLU  74  -8.389   7.985   7.985
   77   1HG   GLU  74          2HG       GLU  74  -8.862   6.798   6.798
   78   2HG   GLU  74          1HG       GLU  74  -9.568   5.492   5.492
   79    H    ALA  75           H        ALA  75  -6.889   7.724   7.724
   80    HA   ALA  75           HA       ALA  75  -4.623   7.397   7.397
   81   1HB   ALA  75          1HB       ALA  75  -5.172   8.263   8.263
   82   2HB   ALA  75          3HB       ALA  75  -3.534   7.677   7.677
   83   3HB   ALA  75          2HB       ALA  75  -4.175   9.007   9.007
   84    H    VAL  76           H        VAL  76  -5.580   5.525   5.525
   85    HA   VAL  76           HA       VAL  76  -3.420   3.747   3.747
   86    HB   VAL  76           HB       VAL  76  -6.256   3.376   3.376
   87   1HG1  VAL  76          2HG1      VAL  76  -3.926   1.517   1.517
   88   2HG1  VAL  76          1HG1      VAL  76  -5.029   1.567   1.567
   89   3HG1  VAL  76          3HG1      VAL  76  -5.640   1.168   1.168
   90   1HG2  VAL  76          2HG2      VAL  76  -4.769   5.123   5.123
   91   2HG2  VAL  76          1HG2      VAL  76  -5.421   3.901   3.901
   92   3HG2  VAL  76          3HG2      VAL  76  -3.746   3.793   3.793
   93    H    ARG  77           H        ARG  77  -6.491   3.669   3.669
   94    HA   ARG  77           HA       ARG  77  -6.403   1.077   1.077
   95   1HB   ARG  77          1HB       ARG  77  -8.014   3.311   3.311
   96   2HB   ARG  77          2HB       ARG  77  -7.362   3.010   3.010
   97   1HG   ARG  77          1HG       ARG  77  -8.315   0.603   0.603
   98   2HG   ARG  77          2HG       ARG  77  -9.569   1.813   1.813
   99   1HD   ARG  77          2HD       ARG  77  -9.375   0.216   0.216
  100   2HD   ARG  77          1HD       ARG  77  -9.028   1.871   1.871
  101    HE   ARG  77           HE       ARG  77  -6.704   0.324   0.324
  102   1HH1  ARG  77          2HH2      ARG  77  -8.868   1.264   1.264
  103   2HH1  ARG  77          1HH2      ARG  77  -7.722   0.940   0.940
  104   1HH2  ARG  77          2HH1      ARG  77  -5.191  -0.105  -0.105
  105   2HH2  ARG  77          1HH1      ARG  77  -5.633   0.163   0.163
  106    H    SER  78           H        SER  78  -4.861   4.025   4.025
  107    HA   SER  78           HA       SER  78  -3.610   2.563   2.563
  108   1HB   SER  78          1HB       SER  78  -4.622   5.075   5.075
  109   2HB   SER  78          2HB       SER  78  -2.929   5.411   5.411
  110    HG   SER  78           HG       SER  78  -4.093   4.661   4.661
  111    H    ALA  79           H        ALA  79  -2.940   2.945   2.945
  112    HA   ALA  79           HA       ALA  79  -1.080   2.637   2.637
  113   1HB   ALA  79          3HB       ALA  79  -0.305   1.604   1.604
  114   2HB   ALA  79          2HB       ALA  79   1.043   2.077   2.077
  115   3HB   ALA  79          1HB       ALA  79  -0.129   0.887   0.887
  116    H    THR  80           H        THR  80  -1.261   4.946   4.946
  117    HA   THR  80           HA       THR  80   1.159   6.289   6.289
  118    HB   THR  80           HB       THR  80   0.888   6.568   6.568
  119    HG1  THR  80          1HG       THR  80   1.492   8.542   8.542
  120   1HG2  THR  80          3HG2      THR  80  -1.863   6.598   6.598
  121   2HG2  THR  80          2HG2      THR  80  -1.464   8.169   8.169
  122   3HG2  THR  80          1HG2      THR  80  -1.044   6.691   6.691
  123    H    CYS  81           H        CYS  81  -0.253   6.050   6.050
  124    HA   CYS  81           HA       CYS  81  -1.697   8.594   8.594
  125   1HB   CYS  81          2HB       CYS  81  -2.636   6.002   6.002
  126   2HB   CYS  81          1HB       CYS  81  -2.245   6.629   6.629
  127    HG   CYS  81           HG       CYS  81  -4.737   7.198   7.198
  128    H    SER  82           H        SER  82  -1.824   8.807   8.807
  129    HA   SER  82           HA       SER  82   0.369   8.157   8.157
  130   1HB   SER  82          1HB       SER  82   0.824  10.476  10.476
  131   2HB   SER  82          2HB       SER  82   1.419  10.604  10.604
  132    HG   SER  82           HG       SER  82   1.965   8.355   8.355
  133    H    PHE  83           H        PHE  83   0.423   9.266   9.266
  134    HA   PHE  83           HA       PHE  83  -1.361  11.442  11.442
  135   1HB   PHE  83          1HB       PHE  83  -2.130   8.635   8.635
  136   2HB   PHE  83          2HB       PHE  83  -2.600   9.965   9.965
  137    HD1  PHE  83           HD1      PHE  83  -4.057  11.774  11.774
  138    HD2  PHE  83           HD2      PHE  83  -3.249   8.227   8.227
  139    HE1  PHE  83           HE1      PHE  83  -6.002  12.230  12.230
  140    HE2  PHE  83           HE2      PHE  83  -5.192   8.677   8.677
  141    HZ   PHE  83           HZ       PHE  83  -6.571  10.681  10.681
  142    H    SER  84           H        SER  84  -0.848  12.470  12.470
  143    HA   SER  84           HA       SER  84   1.648  11.973  11.973
  144   1HB   SER  84          1HB       SER  84   0.493  14.187  14.187
  145   2HB   SER  84          2HB       SER  84  -0.625  13.583  13.583
  146    HG   SER  84           HG       SER  84   1.302  14.810  14.810
  147    H    VAL  85           H        VAL  85   2.136  11.418  11.418
  148    HA   VAL  85           HA       VAL  85   0.299  10.327  10.327
  149    HB   VAL  85           HB       VAL  85  -0.086   8.606   8.606
  150   1HG1  VAL  85          3HG2      VAL  85   2.894   8.227   8.227
  151   2HG1  VAL  85          2HG2      VAL  85   1.800   7.021   7.021
  152   3HG1  VAL  85          1HG2      VAL  85   1.912   8.619   8.619
  153   1HG2  VAL  85          2HG1      VAL  85  -0.108   8.049   8.049
  154   2HG2  VAL  85          1HG1      VAL  85   0.255   6.676   6.676
  155   3HG2  VAL  85          3HG1      VAL  85   1.555   7.476   7.476
  156    H    LYS  86           H        LYS  86   1.301   9.186   9.186
  157    HA   LYS  86           HA       LYS  86   4.166   9.828   9.828
  158   1HB   LYS  86          2HB       LYS  86   2.488   9.328   9.328
  159   2HB   LYS  86          1HB       LYS  86   3.860  10.408  10.408
  160   1HG   LYS  86          1HG       LYS  86   2.267  11.777  11.777
  161   2HG   LYS  86          2HG       LYS  86   0.989  10.848  10.848
  162   1HD   LYS  86          2HD       LYS  86   1.790  11.604  11.604
  163   2HD   LYS  86          1HD       LYS  86   3.066  12.532  12.532
  164   1HE   LYS  86          2HE       LYS  86   1.639  14.242  14.242
  165   2HE   LYS  86          1HE       LYS  86   0.766  13.367  13.367
  166   1HZ   LYS  86          1HZ       LYS  86   0.226  12.882  12.882
  167   2HZ   LYS  86          3HZ       LYS  86  -0.538  14.138  14.138
  168   3HZ   LYS  86          2HZ       LYS  86  -0.756  12.535  12.535
  169    H    TYR  87           H        TYR  87   4.411   7.694   7.694
  170    HA   TYR  87           HA       TYR  87   3.670   5.247   5.247
  171   1HB   TYR  87          1HB       TYR  87   4.585   5.313   5.313
  172   2HB   TYR  87          2HB       TYR  87   6.077   6.051   6.051
  173    HD1  TYR  87           HD1      TYR  87   7.804   4.711   4.711
  174    HD2  TYR  87           HD2      TYR  87   4.213   2.929   2.929
  175    HE1  TYR  87           HE1      TYR  87   8.844   2.490   2.490
  176    HE2  TYR  87           HE2      TYR  87   5.243   0.703   0.703
  177    HH   TYR  87           HH2      TYR  87   8.511   0.210   0.210
  178    H    LEU  88           H        LEU  88   3.957   4.667   4.667
  179    HA   LEU  88           HA       LEU  88   5.781   5.579   5.579
  180   1HB   LEU  88          1HB       LEU  88   4.134   3.144   3.144
  181   2HB   LEU  88          2HB       LEU  88   5.471   3.042   3.042
  182    HG   LEU  88           HG       LEU  88   4.611   4.905   4.905
  183   1HD1  LEU  88          1HD2      LEU  88   3.605   5.925   5.925
  184   2HD1  LEU  88          3HD2      LEU  88   2.151   5.085   5.085
  185   3HD1  LEU  88          2HD2      LEU  88   2.909   6.296   6.296
  186   1HD2  LEU  88          1HD1      LEU  88   3.117   2.477   2.477
  187   2HD2  LEU  88          3HD1      LEU  88   3.465   3.315   3.315
  188   3HD2  LEU  88          2HD1      LEU  88   2.071   3.789   3.789
  189    H    GLY  89           H        GLY  89   6.106   2.263   2.263
  190   1HA   GLY  89          2HA       GLY  89   8.658   2.499   2.499
  191   2HA   GLY  89          1HA       GLY  89   8.864   2.126   2.126
  192    H    CYS  90           H        CYS  90   9.487   0.061   0.061
  193    HA   CYS  90           HA       CYS  90   7.646  -1.942  -1.942
  194   1HB   CYS  90          2HB       CYS  90   9.911  -3.216  -3.216
  195   2HB   CYS  90          1HB       CYS  90   9.016  -2.223  -2.223
  196    HG   CYS  90           HG       CYS  90  10.926  -0.693  -0.693
  197    H    VAL  91           H        VAL  91   7.787  -3.964  -3.964
  198    HA   VAL  91           HA       VAL  91   9.582  -4.173  -4.173
  199    HB   VAL  91           HB       VAL  91   7.638  -5.094  -5.094
  200   1HG1  VAL  91          3HG1      VAL  91   8.460  -2.399  -2.399
  201   2HG1  VAL  91          2HG1      VAL  91   6.736  -2.427  -2.427
  202   3HG1  VAL  91          1HG1      VAL  91   7.892  -3.135  -3.135
  203   1HG2  VAL  91          3HG2      VAL  91   6.184  -3.993  -3.993
  204   2HG2  VAL  91          2HG2      VAL  91   5.918  -5.497  -5.497
  205   3HG2  VAL  91          1HG2      VAL  91   5.425  -3.959  -3.959
  206    H    GLU  92           H        GLU  92   9.479  -6.420  -6.420
  207    HA   GLU  92           HA       GLU  92   9.456  -8.355  -8.355
  208   1HB   GLU  92          2HB       GLU  92  10.681  -9.813  -9.813
  209   2HB   GLU  92          1HB       GLU  92  11.460  -8.242  -8.242
  210   1HG   GLU  92          1HG       GLU  92  10.735  -7.562  -7.562
  211   2HG   GLU  92          2HG       GLU  92   9.564  -8.878  -8.878
  212    H    VAL  93           H        VAL  93   8.211 -10.209 -10.209
  213    HA   VAL  93           HA       VAL  93   6.393 -10.692 -10.692
  214    HB   VAL  93           HB       VAL  93   4.507 -10.984 -10.984
  215   1HG1  VAL  93          2HG1      VAL  93   4.662  -9.261  -9.261
  216   2HG1  VAL  93          1HG1      VAL  93   5.373  -8.170  -8.170
  217   3HG1  VAL  93          3HG1      VAL  93   3.730  -8.770  -8.770
  218   1HG2  VAL  93          3HG2      VAL  93   5.958 -10.685 -10.685
  219   2HG2  VAL  93          2HG2      VAL  93   4.626  -9.529  -9.529
  220   3HG2  VAL  93          1HG2      VAL  93   6.253  -9.017  -9.017
  221    H    PHE  94           H        PHE  94   4.977 -12.694 -12.694
  222    HA   PHE  94           HA       PHE  94   6.719 -14.681 -14.681
  223   1HB   PHE  94          1HB       PHE  94   4.871 -14.991 -14.991
  224   2HB   PHE  94          2HB       PHE  94   5.659 -16.339 -16.339
  225    HD1  PHE  94           HD2      PHE  94   8.322 -15.058 -15.058
  226    HD2  PHE  94           HD1      PHE  94   5.844 -15.113 -15.113
  227    HE1  PHE  94           HE2      PHE  94  10.306 -14.757 -14.757
  228    HE2  PHE  94           HE1      PHE  94   7.825 -14.812 -14.812
  229    HZ   PHE  94           HZ       PHE  94  10.059 -14.633 -14.633
  230    H    GLU  95           H        GLU  95   4.503 -13.033 -13.033
  231    HA   GLU  95           HA       GLU  95   3.037 -15.258 -15.258
  232   1HB   GLU  95          1HB       GLU  95   1.873 -13.167 -13.167
  233   2HB   GLU  95          2HB       GLU  95   1.025 -13.427 -13.427
  234   1HG   GLU  95          2HG       GLU  95   1.708 -15.895 -15.895
  235   2HG   GLU  95          1HG       GLU  95   0.632 -14.833 -14.833
  236    H    SER  96           H        SER  96   2.616 -11.726 -11.726
  237    HA   SER  96           HA       SER  96   2.669 -10.234 -10.234
  238   1HB   SER  96          2HB       SER  96   4.811 -12.175 -12.175
  239   2HB   SER  96          1HB       SER  96   4.367 -10.843 -10.843
  240    HG   SER  96           HG       SER  96   5.908  -9.972  -9.972
  241    H    ARG  97           H        ARG  97   0.926 -12.744 -12.744
  242    HA   ARG  97           HA       ARG  97  -0.010 -12.302 -12.302
  243   1HB   ARG  97          2HB       ARG  97  -0.434 -14.847 -14.847
  244   2HB   ARG  97          1HB       ARG  97   1.185 -14.250 -14.250
  245   1HG   ARG  97          2HG       ARG  97   2.074 -15.265 -15.265
  246   2HG   ARG  97          1HG       ARG  97   0.677 -14.915 -14.915
  247   1HD   ARG  97          1HD       ARG  97  -0.439 -16.698 -16.698
  248   2HD   ARG  97          2HD       ARG  97   1.232 -17.251 -17.251
  249    HE   ARG  97           HE       ARG  97   0.768 -16.979 -16.979
  250   1HH1  ARG  97          1HH1      ARG  97  -0.802 -18.698 -18.698
  251   2HH1  ARG  97          2HH1      ARG  97  -1.374 -19.976 -19.976
  252   1HH2  ARG  97          2HH2      ARG  97   0.021 -18.656 -18.656
  253   2HH2  ARG  97          1HH2      ARG  97  -0.905 -19.953 -19.953
  254    H    GLY  98           H        GLY  98  -1.420 -11.077 -11.077
  255   1HA   GLY  98          1HA       GLY  98  -3.941 -12.290 -12.290
  256   2HA   GLY  98          2HA       GLY  98  -3.201 -12.424 -12.424
  257    H    MET  99           H        MET  99  -5.016 -11.100 -11.100
  258    HA   MET  99           HA       MET  99  -4.563  -8.241  -8.241
  259   1HB   MET  99          2HB       MET  99  -6.827  -9.528  -9.528
  260   2HB   MET  99          1HB       MET  99  -7.198  -9.136  -9.136
  261   1HG   MET  99          1HG       MET  99  -6.129  -6.826  -6.826
  262   2HG   MET  99          2HG       MET  99  -7.437  -7.493  -7.493
  263   1HE   MET  99          2HE       MET  99  -6.167  -5.719  -5.719
  264   2HE   MET  99          1HE       MET  99  -7.436  -4.515  -4.515
  265   3HE   MET  99          3HE       MET  99  -7.423  -5.519  -5.519
  266    H    GLN 100           H        GLN 100  -5.317 -10.673 -10.673
  267    HA   GLN 100           HA       GLN 100  -5.631  -8.973  -8.973
  268   1HB   GLN 100          2HB       GLN 100  -4.786 -11.849 -11.849
  269   2HB   GLN 100          1HB       GLN 100  -4.872 -11.065 -11.065
  270   1HG   GLN 100          2HG       GLN 100  -7.017 -11.584 -11.584
  271   2HG   GLN 100          1HG       GLN 100  -7.295 -10.482 -10.482
  272   1HE2  GLN 100          2HE2      GLN 100  -8.738 -13.398 -13.398
  273   2HE2  GLN 100          1HE2      GLN 100  -9.064 -11.986 -11.986
  274    H    VAL 101           H        VAL 101  -2.802 -10.040 -10.040
  275    HA   VAL 101           HA       VAL 101  -0.941  -9.448  -9.448
  276    HB   VAL 101           HB       VAL 101  -0.318  -9.652  -9.652
  277   1HG1  VAL 101          1HG1      VAL 101   1.291  -8.960  -8.960
  278   2HG1  VAL 101          3HG1      VAL 101   1.567 -10.697 -10.697
  279   3HG1  VAL 101          2HG1      VAL 101   1.846  -9.659  -9.659
  280   1HG2  VAL 101          2HG2      VAL 101  -0.599 -11.854 -11.854
  281   2HG2  VAL 101          1HG2      VAL 101  -1.564 -11.623 -11.623
  282   3HG2  VAL 101          3HG2      VAL 101   0.143 -12.050 -12.050
  283    H    CYS 102           H        CYS 102  -2.384  -7.687  -7.687
  284    HA   CYS 102           HA       CYS 102  -0.549  -5.508  -5.508
  285   1HB   CYS 102          2HB       CYS 102  -3.289  -5.955  -5.955
  286   2HB   CYS 102          1HB       CYS 102  -2.573  -4.347  -4.347
  287    HG   CYS 102           HG       CYS 102  -2.091  -5.814  -5.814
  288    H    GLU 103           H        GLU 103  -3.619  -6.155  -6.155
  289    HA   GLU 103           HA       GLU 103  -4.062  -3.595  -3.595
  290   1HB   GLU 103          2HB       GLU 103  -5.150  -6.257  -6.257
  291   2HB   GLU 103          1HB       GLU 103  -5.054  -5.416  -5.416
  292   1HG   GLU 103          2HG       GLU 103  -6.193  -3.470  -3.470
  293   2HG   GLU 103          1HG       GLU 103  -6.589  -4.671  -4.671
  294    H    GLU 104           H        GLU 104  -2.154  -6.313  -6.313
  295    HA   GLU 104           HA       GLU 104  -1.464  -4.913  -4.913
  296   1HB   GLU 104          1HB       GLU 104  -0.128  -6.951  -6.951
  297   2HB   GLU 104          2HB       GLU 104  -1.824  -7.295  -7.295
  298   1HG   GLU 104          1HG       GLU 104  -1.335  -8.120  -8.120
  299   2HG   GLU 104          2HG       GLU 104   0.331  -7.552  -7.552
  300    H    ALA 105           H        ALA 105  -0.034  -5.764  -5.764
  301    HA   ALA 105           HA       ALA 105   2.641  -5.228  -5.228
  302   1HB   ALA 105          3HB       ALA 105   0.945  -5.011  -5.011
  303   2HB   ALA 105          2HB       ALA 105   2.632  -4.499  -4.499
  304   3HB   ALA 105          1HB       ALA 105   2.224  -6.166  -6.166
  305    H    LEU 106           H        LEU 106   0.126  -2.980  -2.980
  306    HA   LEU 106           HA       LEU 106   1.633  -0.675  -0.675
  307   1HB   LEU 106          1HB       LEU 106  -1.013  -1.290  -1.290
  308   2HB   LEU 106          2HB       LEU 106  -1.031  -0.302  -0.302
  309    HG   LEU 106           HG       LEU 106   0.279   0.622   0.622
  310   1HD1  LEU 106          1HD2      LEU 106  -2.590   0.871   0.871
  311   2HD1  LEU 106          3HD2      LEU 106  -1.840   1.956   1.956
  312   3HD1  LEU 106          2HD2      LEU 106  -1.957   0.229   0.229
  313   1HD2  LEU 106          3HD1      LEU 106   0.610   1.640   1.640
  314   2HD2  LEU 106          2HD1      LEU 106   0.432   2.677   2.677
  315   3HD2  LEU 106          1HD1      LEU 106  -0.945   2.392   2.392
  316    H    LYS 107           H        LYS 107   0.002  -2.018  -2.018
  317    HA   LYS 107           HA       LYS 107   0.595   0.019   0.019
  318   1HB   LYS 107          1HB       LYS 107  -0.964  -1.700  -1.700
  319   2HB   LYS 107          2HB       LYS 107   0.250  -2.955  -2.955
  320   1HG   LYS 107          2HG       LYS 107   0.964  -0.895  -0.895
  321   2HG   LYS 107          1HG       LYS 107  -0.456  -1.854  -1.854
  322   1HD   LYS 107          2HD       LYS 107   1.707  -3.490  -3.490
  323   2HD   LYS 107          1HD       LYS 107   2.190  -2.571  -2.571
  324   1HE   LYS 107          1HE       LYS 107  -0.197  -3.445  -3.445
  325   2HE   LYS 107          2HE       LYS 107   0.205  -4.747  -4.747
  326   1HZ   LYS 107          1HZ       LYS 107   2.148  -3.845  -3.845
  327   2HZ   LYS 107          3HZ       LYS 107   0.938  -4.960  -4.960
  328   3HZ   LYS 107          2HZ       LYS 107   2.068  -5.331  -5.331
  329    H    VAL 108           H        VAL 108   2.496  -2.751  -2.751
  330    HA   VAL 108           HA       VAL 108   4.620  -2.447  -2.447
  331    HB   VAL 108           HB       VAL 108   4.921  -3.586  -3.586
  332   1HG1  VAL 108          1HG1      VAL 108   6.874  -3.239  -3.239
  333   2HG1  VAL 108          3HG1      VAL 108   6.171  -4.594  -4.594
  334   3HG1  VAL 108          2HG1      VAL 108   6.703  -4.809  -4.809
  335   1HG2  VAL 108          2HG2      VAL 108   3.286  -4.555  -4.555
  336   2HG2  VAL 108          1HG2      VAL 108   3.190  -4.926  -4.926
  337   3HG2  VAL 108          3HG2      VAL 108   4.372  -5.751  -5.751
  338    H    LEU 109           H        LEU 109   4.022  -1.145  -1.145
  339    HA   LEU 109           HA       LEU 109   6.508  -0.002  -0.002
  340   1HB   LEU 109          1HB       LEU 109   3.728   0.479   0.479
  341   2HB   LEU 109          2HB       LEU 109   4.845   1.810   1.810
  342    HG   LEU 109           HG       LEU 109   4.862   0.617   0.617
  343   1HD1  LEU 109          3HD2      LEU 109   7.103   1.194   1.194
  344   2HD1  LEU 109          2HD2      LEU 109   7.244  -0.512  -0.512
  345   3HD1  LEU 109          1HD2      LEU 109   7.110  -0.030  -0.030
  346   1HD2  LEU 109          2HD1      LEU 109   4.667  -1.743  -1.743
  347   2HD2  LEU 109          1HD1      LEU 109   3.919  -1.422  -1.422
  348   3HD2  LEU 109          3HD1      LEU 109   5.602  -1.943  -1.943
  349    H    ARG 110           H        ARG 110   3.994   0.945   0.945
  350    HA   ARG 110           HA       ARG 110   5.063   3.606   3.606
  351   1HB   ARG 110          2HB       ARG 110   2.586   2.300   2.300
  352   2HB   ARG 110          1HB       ARG 110   3.196   2.847   2.847
  353   1HG   ARG 110          1HG       ARG 110   3.344   5.109   5.109
  354   2HG   ARG 110          2HG       ARG 110   2.913   4.607   4.607
  355   1HD   ARG 110          1HD       ARG 110   1.156   4.389   4.389
  356   2HD   ARG 110          2HD       ARG 110   1.003   5.593   5.593
  357    HE   ARG 110           HE       ARG 110   0.893   3.016   3.016
  358   1HH1  ARG 110          1HH1      ARG 110  -0.980   5.180   5.180
  359   2HH1  ARG 110          2HH1      ARG 110  -2.504   4.527   4.527
  360   1HH2  ARG 110          1HH2      ARG 110  -1.108   2.147   2.147
  361   2HH2  ARG 110          2HH2      ARG 110  -2.578   2.802   2.802
  362    H    GLN 111           H        GLN 111   4.448   0.828   0.828
  363    HA   GLN 111           HA       GLN 111   5.817   1.688   1.688
  364   1HB   GLN 111          2HB       GLN 111   5.933  -0.582  -0.582
  365   2HB   GLN 111          1HB       GLN 111   4.454  -0.421  -0.421
  366   1HG   GLN 111          2HG       GLN 111   5.179  -2.303  -2.303
  367   2HG   GLN 111          1HG       GLN 111   6.153  -1.192  -1.192
  368   1HE2  GLN 111          2HE2      GLN 111   8.844  -3.229  -3.229
  369   2HE2  GLN 111          1HE2      GLN 111   7.744  -2.725  -2.725
  370    H    SER 112           H        SER 112   7.127   0.338   0.338
  371    HA   SER 112           HA       SER 112   9.797   0.084   0.084
  372   1HB   SER 112          1HB       SER 112   8.437  -0.929  -0.929
  373   2HB   SER 112          2HB       SER 112   9.632   0.168   0.168
  374    HG   SER 112           HG       SER 112  10.801  -1.607  -1.607
  375    H    ARG 113           H        ARG 113  11.350   1.074   1.074
  376    HA   ARG 113           HA       ARG 113  10.986   3.974   3.974
  377   1HB   ARG 113          2HB       ARG 113  13.550   3.829   3.829
  378   2HB   ARG 113          1HB       ARG 113  13.042   3.693   3.693
  379   1HG   ARG 113          1HG       ARG 113  14.648   1.985   1.985
  380   2HG   ARG 113          2HG       ARG 113  13.069   1.226   1.226
  381   1HD   ARG 113          1HD       ARG 113  12.954   0.541   0.541
  382   2HD   ARG 113          2HD       ARG 113  13.764   1.982   1.982
  383    HE   ARG 113           HE       ARG 113  15.722   0.819   0.819
  384   1HH1  ARG 113          2HH2      ARG 113  13.480  -0.733  -0.733
  385   2HH1  ARG 113          1HH2      ARG 113  14.534  -2.064  -2.064
  386   1HH2  ARG 113          2HH1      ARG 113  17.117  -0.930  -0.930
  387   2HH2  ARG 113          1HH1      ARG 113  16.601  -2.176  -2.176
  388    H    ARG 114           H        ARG 114   9.559   2.717   2.717
  389    HA   ARG 114           HA       ARG 114  11.010   3.126   3.126
  390   1HB   ARG 114          2HB       ARG 114   8.328   1.953   1.953
  391   2HB   ARG 114          1HB       ARG 114   8.746   2.351   2.351
  392   1HG   ARG 114          2HG       ARG 114  10.294   0.468   0.468
  393   2HG   ARG 114          1HG       ARG 114   9.122  -0.016  -0.016
  394   1HD   ARG 114          2HD       ARG 114  10.845  -0.086  -0.086
  395   2HD   ARG 114          1HD       ARG 114  10.803   1.676   1.676
  396    HE   ARG 114           HE       ARG 114  12.351   1.065   1.065
  397   1HH1  ARG 114          1HH1      ARG 114  12.415   0.082   0.082
  398   2HH1  ARG 114          2HH1      ARG 114  14.134  -0.131  -0.131
  399   1HH2  ARG 114          1HH2      ARG 114  14.616   0.789   0.789
  400   2HH2  ARG 114          2HH2      ARG 114  15.385   0.271   0.271
  401    H    ARG 115           H        ARG 115  11.143   5.475   5.475
  402    HA   ARG 115           HA       ARG 115   9.039   7.215   7.215
  403   1HB   ARG 115          2HB       ARG 115  11.755   7.520   7.520
  404   2HB   ARG 115          1HB       ARG 115  10.618   8.861   8.861
  405   1HG   ARG 115          2HG       ARG 115  10.604   7.967   7.967
  406   2HG   ARG 115          1HG       ARG 115  12.291   7.801   7.801
  407   1HD   ARG 115          1HD       ARG 115  11.529  10.262  10.262
  408   2HD   ARG 115          2HD       ARG 115  10.747  10.190  10.190
  409    HE   ARG 115           HE       ARG 115  12.808  10.329  10.329
  410   1HH1  ARG 115          1HH1      ARG 115  13.204   9.627   9.627
  411   2HH1  ARG 115          2HH1      ARG 115  14.920   9.866   9.866
  412   1HH2  ARG 115          1HH2      ARG 115  15.067  10.647  10.647
  413   2HH2  ARG 115          2HH2      ARG 115  15.979  10.447  10.447
  414    HA   PRO 116           HA       PRO 116   7.090   6.896   6.896
  415   1HB   PRO 116          2HB       PRO 116   5.220   8.800   8.800
  416   2HB   PRO 116          1HB       PRO 116   5.142   7.268   7.268
  417   1HG   PRO 116          1HG       PRO 116   6.060   9.952   9.952
  418   2HG   PRO 116          2HG       PRO 116   5.084   8.740   8.740
  419   1HD   PRO 116          2HD       PRO 116   7.783   9.104   9.104
  420   2HD   PRO 116          1HD       PRO 116   6.924   7.584   7.584
  421    H    VAL 117           H        VAL 117   7.320   7.800   7.800
  422    HA   VAL 117           HA       VAL 117   9.048  10.060  10.060
  423    HB   VAL 117           HB       VAL 117   8.642   9.654   9.654
  424   1HG1  VAL 117          3HG1      VAL 117  10.318   8.429   8.429
  425   2HG1  VAL 117          2HG1      VAL 117   9.435   7.031   7.031
  426   3HG1  VAL 117          1HG1      VAL 117  10.283   8.099   8.099
  427   1HG2  VAL 117          3HG2      VAL 117   6.363   8.495   8.495
  428   2HG2  VAL 117          2HG2      VAL 117   7.250   8.028   8.028
  429   3HG2  VAL 117          1HG2      VAL 117   7.386   7.059   7.059
  430    H    ARG 118           H        ARG 118   8.426  11.680  11.680
  431    HA   ARG 118           HA       ARG 118   5.615  12.483  12.483
  432   1HB   ARG 118          2HB       ARG 118   6.793  13.826  13.826
  433   2HB   ARG 118          1HB       ARG 118   7.982  14.310  14.310
  434   1HG   ARG 118          1HG       ARG 118   6.552  15.767  15.767
  435   2HG   ARG 118          2HG       ARG 118   5.111  14.886  14.886
  436   1HD   ARG 118          2HD       ARG 118   4.921  16.081  16.081
  437   2HD   ARG 118          1HD       ARG 118   6.639  15.935  15.935
  438    HE   ARG 118           HE       ARG 118   6.079  17.795  17.795
  439   1HH1  ARG 118          2HH2      ARG 118   6.289  17.386  17.386
  440   2HH1  ARG 118          1HH2      ARG 118   6.596  19.062  19.062
  441   1HH2  ARG 118          2HH1      ARG 118   6.483  20.002  20.002
  442   2HH2  ARG 118          1HH1      ARG 118   6.707  20.549  20.549
  443    H    GLY 119           H        GLY 119   5.756  11.434  11.434
  444   1HA   GLY 119          2HA       GLY 119   6.505  13.443  13.443
  445   2HA   GLY 119          1HA       GLY 119   7.115  11.806  11.806
  446    H    LEU 120           H        LEU 120   6.076  10.907  10.907
  447    HA   LEU 120           HA       LEU 120   3.160  10.796  10.796
  448   1HB   LEU 120          1HB       LEU 120   3.536  12.674  12.674
  449   2HB   LEU 120          2HB       LEU 120   4.783  11.824  11.824
  450    HG   LEU 120           HG       LEU 120   2.393  10.303  10.303
  451   1HD1  LEU 120          3HD2      LEU 120   1.426  12.609  12.609
  452   2HD1  LEU 120          2HD2      LEU 120   1.922  13.085  13.085
  453   3HD1  LEU 120          1HD2      LEU 120   0.770  11.767  11.767
  454   1HD2  LEU 120          1HD1      LEU 120   4.477  11.351  11.351
  455   2HD2  LEU 120          3HD1      LEU 120   3.333  10.060  10.060
  456   3HD2  LEU 120          2HD1      LEU 120   2.933  11.732  11.732
  457    H    LEU 121           H        LEU 121   2.287   8.944   8.944
  458    HA   LEU 121           HA       LEU 121   4.135   6.782   6.782
  459   1HB   LEU 121          1HB       LEU 121   1.811   6.866   6.866
  460   2HB   LEU 121          2HB       LEU 121   1.223   6.314   6.314
  461    HG   LEU 121           HG       LEU 121   3.276   4.955   4.955
  462   1HD1  LEU 121          1HD2      LEU 121   0.759   4.805   4.805
  463   2HD1  LEU 121          3HD2      LEU 121   0.677   3.830   3.830
  464   3HD1  LEU 121          2HD2      LEU 121   1.678   3.303   3.303
  465   1HD2  LEU 121          1HD1      LEU 121   3.574   4.910   4.910
  466   2HD2  LEU 121          3HD1      LEU 121   3.734   3.432   3.432
  467   3HD2  LEU 121          2HD1      LEU 121   2.238   3.763   3.763
  468    H    HIS 122           H        HIS 122   4.787   6.387   6.387
  469    HA   HIS 122           HA       HIS 122   3.373   7.468   7.468
  470   1HB   HIS 122          2HB       HIS 122   5.949   5.965   5.965
  471   2HB   HIS 122          1HB       HIS 122   5.266   6.185   6.185
  472    HD1  HIS 122           HD1      HIS 122   6.514   8.041   8.041
  473    HD2  HIS 122           HD2      HIS 122   5.784   8.809   8.809
  474    HE1  HIS 122           HE1      HIS 122   7.420  10.358  10.358
  475    H    VAL 123           H        VAL 123   1.397   6.300   6.300
  476    HA   VAL 123           HA       VAL 123   1.526   3.418   3.418
  477    HB   VAL 123           HB       VAL 123  -0.920   5.152   5.152
  478   1HG1  VAL 123          2HG1      VAL 123  -1.188   2.944   2.944
  479   2HG1  VAL 123          1HG1      VAL 123  -0.638   2.174   2.174
  480   3HG1  VAL 123          3HG1      VAL 123  -2.121   3.127   3.127
  481   1HG2  VAL 123          1HG2      VAL 123   0.914   4.822   4.822
  482   2HG2  VAL 123          3HG2      VAL 123  -0.818   4.912   4.912
  483   3HG2  VAL 123          2HG2      VAL 123  -0.018   3.343   3.343
  484    H    SER 124           H        SER 124   1.340   2.577   2.577
  485    HA   SER 124           HA       SER 124  -0.113   4.064   4.064
  486   1HB   SER 124          1HB       SER 124   1.918   3.258   3.258
  487   2HB   SER 124          2HB       SER 124   1.930   4.817   4.817
  488    HG   SER 124           HG       SER 124   3.868   3.649   3.649
  489    H    GLY 125           H        GLY 125  -1.061   1.832   1.832
  490   1HA   GLY 125          2HA       GLY 125  -1.739  -0.364  -0.364
  491   2HA   GLY 125          1HA       GLY 125  -2.009   0.195   0.195
  492    H    ASP 126           H        ASP 126   0.911  -0.551  -0.551
  493    HA   ASP 126           HA       ASP 126   1.545  -2.851  -2.851
  494   1HB   ASP 126          1HB       ASP 126   2.107  -0.893  -0.893
  495   2HB   ASP 126          2HB       ASP 126   3.387  -0.492  -0.492
  496    H    GLY 127           H        GLY 127   2.732  -0.302  -0.302
  497   1HA   GLY 127          2HA       GLY 127   3.576  -2.143  -2.143
  498   2HA   GLY 127          1HA       GLY 127   4.967  -1.621  -1.621
  499    H    LEU 128           H        LEU 128   3.257  -1.023  -1.023
  500    HA   LEU 128           HA       LEU 128   3.168   1.800   1.800
  501   1HB   LEU 128          1HB       LEU 128   3.541   0.024   0.024
  502   2HB   LEU 128          2HB       LEU 128   2.777   1.596   1.596
  503    HG   LEU 128           HG       LEU 128   0.846   0.473   0.473
  504   1HD1  LEU 128          3HD2      LEU 128   1.195   1.097   1.097
  505   2HD1  LEU 128          2HD2      LEU 128   1.358  -0.644  -0.644
  506   3HD1  LEU 128          1HD2      LEU 128  -0.128   0.020   0.020
  507   1HD2  LEU 128          1HD1      LEU 128   2.552  -1.888  -1.888
  508   2HD2  LEU 128          3HD1      LEU 128   1.583  -1.553  -1.553
  509   3HD2  LEU 128          2HD1      LEU 128   0.794  -2.018  -2.018
  510    H    ARG 129           H        ARG 129   4.829   3.136   3.136
  511    HA   ARG 129           HA       ARG 129   7.372   2.306   2.306
  512   1HB   ARG 129          1HB       ARG 129   6.865   3.995   3.995
  513   2HB   ARG 129          2HB       ARG 129   8.433   3.898   3.898
  514   1HG   ARG 129          2HG       ARG 129   8.855   1.816   1.816
  515   2HG   ARG 129          1HG       ARG 129   7.158   1.331   1.331
  516   1HD   ARG 129          1HD       ARG 129   6.668   2.429   2.429
  517   2HD   ARG 129          2HD       ARG 129   8.192   3.316   3.316
  518    HE   ARG 129           HE       ARG 129   8.897   0.664   0.664
  519   1HH1  ARG 129          1HH1      ARG 129   7.001   2.822   2.822
  520   2HH1  ARG 129          2HH1      ARG 129   7.348   1.989   1.989
  521   1HH2  ARG 129          2HH2      ARG 129   9.362  -0.441  -0.441
  522   2HH2  ARG 129          1HH2      ARG 129   8.691   0.133   0.133
  523    H    VAL 130           H        VAL 130   6.538   3.221   3.221
  524    HA   VAL 130           HA       VAL 130   5.840   5.958   5.958
  525    HB   VAL 130           HB       VAL 130   5.116   4.394   4.394
  526   1HG1  VAL 130          2HG2      VAL 130   8.031   3.826   3.826
  527   2HG1  VAL 130          1HG2      VAL 130   6.994   3.627   3.627
  528   3HG1  VAL 130          3HG2      VAL 130   6.664   2.714   2.714
  529   1HG2  VAL 130          3HG1      VAL 130   6.278   6.865   6.865
  530   2HG2  VAL 130          2HG1      VAL 130   5.145   5.980   5.980
  531   3HG2  VAL 130          1HG1      VAL 130   6.884   5.797   5.797
  532    H    VAL 131           H        VAL 131   7.047   7.739   7.739
  533    HA   VAL 131           HA       VAL 131   9.884   7.446   7.446
  534    HB   VAL 131           HB       VAL 131   9.836   7.575   7.575
  535   1HG1  VAL 131          2HG2      VAL 131   7.661   8.751   8.751
  536   2HG1  VAL 131          1HG2      VAL 131   8.460  10.237  10.237
  537   3HG1  VAL 131          3HG2      VAL 131   8.925   9.466   9.466
  538   1HG2  VAL 131          2HG1      VAL 131  11.361   9.105   9.105
  539   2HG2  VAL 131          1HG1      VAL 131  11.651   8.885   8.885
  540   3HG2  VAL 131          3HG1      VAL 131  10.761  10.296  10.296
  541    H    ASP 132           H        ASP 132  10.707   9.063   9.063
  542    HA   ASP 132           HA       ASP 132   8.846  10.846  10.846
  543   1HB   ASP 132          2HB       ASP 132  10.677   9.784   9.784
  544   2HB   ASP 132          1HB       ASP 132  11.855  10.651  10.651
  545    H    ASP 133           H        ASP 133   9.306  13.188  13.188
  546    HA   ASP 133           HA       ASP 133  10.096  14.322  14.322
  547   1HB   ASP 133          2HB       ASP 133   7.777  14.753  14.753
  548   2HB   ASP 133          1HB       ASP 133   8.538  15.698  15.698
  549    H    GLU 134           H        GLU 134  11.779  13.594  13.594
  550    HA   GLU 134           HA       GLU 134  13.115  16.209  16.209
  551   1HB   GLU 134          1HB       GLU 134  12.036  15.115  15.115
  552   2HB   GLU 134          2HB       GLU 134  13.419  14.031  14.031
  553   1HG   GLU 134          1HG       GLU 134  14.705  15.536  15.536
  554   2HG   GLU 134          2HG       GLU 134  14.306  16.741  16.741
  555    H    THR 135           H        THR 135  13.819  12.734  12.734
  556    HA   THR 135           HA       THR 135  16.554  13.123  13.123
  557    HB   THR 135           HB       THR 135  16.697  10.638  10.638
  558    HG1  THR 135          1HG       THR 135  14.956   9.513   9.513
  559   1HG2  THR 135          3HG2      THR 135  15.626  12.276  12.276
  560   2HG2  THR 135          2HG2      THR 135  16.165  10.608  10.608
  561   3HG2  THR 135          1HG2      THR 135  17.299  11.844  11.844
  562    H    LYS 136           H        LYS 136  13.542  12.089  12.089
  563    HA   LYS 136           HA       LYS 136  12.915  11.630  11.630
  564   1HB   LYS 136          2HB       LYS 136  15.076  13.419  13.419
  565   2HB   LYS 136          1HB       LYS 136  15.366  12.153  12.153
  566   1HG   LYS 136          1HG       LYS 136  14.095  14.082  14.082
  567   2HG   LYS 136          2HG       LYS 136  13.243  12.543  12.543
  568   1HD   LYS 136          2HD       LYS 136  11.533  13.322  13.322
  569   2HD   LYS 136          1HD       LYS 136  12.610  13.765  13.765
  570   1HE   LYS 136          2HE       LYS 136  12.008  15.870  15.870
  571   2HE   LYS 136          1HE       LYS 136  13.130  15.727  15.727
  572   1HZ   LYS 136          1HZ       LYS 136  10.461  14.724  14.724
  573   2HZ   LYS 136          3HZ       LYS 136  10.555  16.393  16.393
  574   3HZ   LYS 136          2HZ       LYS 136  11.465  15.672  15.672
  575    H    GLY 137           H        GLY 137  13.661   9.484   9.484
  576   1HA   GLY 137          2HA       GLY 137  15.094   7.826   7.826
  577   2HA   GLY 137          1HA       GLY 137  15.342   7.628   7.628
  578    H    LEU 138           H        LEU 138  14.287   5.832   5.832
  579    HA   LEU 138           HA       LEU 138  11.533   5.371   5.371
  580   1HB   LEU 138          1HB       LEU 138  12.890   4.654   4.654
  581   2HB   LEU 138          2HB       LEU 138  13.498   3.344   3.344
  582    HG   LEU 138           HG       LEU 138  11.418   2.275   2.275
  583   1HD1  LEU 138          2HD1      LEU 138  10.163   4.818   4.818
  584   2HD1  LEU 138          1HD1      LEU 138   9.315   3.299   3.299
  585   3HD1  LEU 138          3HD1      LEU 138  10.045   4.175   4.175
  586   1HD2  LEU 138          1HD2      LEU 138  12.514   2.194   2.194
  587   2HD2  LEU 138          3HD2      LEU 138  10.764   1.992   1.992
  588   3HD2  LEU 138          2HD2      LEU 138  11.494   3.537   3.537
  589    H    ILE 139           H        ILE 139  10.562   4.174   4.174
  590    HA   ILE 139           HA       ILE 139  12.287   2.907   2.907
  591    HB   ILE 139           HB       ILE 139   9.345   3.388   3.388
  592   1HG1  ILE 139          1HG1      ILE 139  11.551   5.325   5.325
  593   2HG1  ILE 139          2HG1      ILE 139  10.513   5.507   5.507
  594   1HG2  ILE 139          1HG2      ILE 139  11.575   2.504   2.504
  595   2HG2  ILE 139          3HG2      ILE 139  10.586   3.764   3.764
  596   3HG2  ILE 139          2HG2      ILE 139   9.840   2.259   2.259
  597   1HD1  ILE 139          3HD1      ILE 139   8.687   5.213   5.213
  598   2HD1  ILE 139          2HD1      ILE 139   9.984   6.078   6.078
  599   3HD1  ILE 139          1HD1      ILE 139   9.259   6.754   6.754
  600    H    VAL 140           H        VAL 140   9.213   2.265   2.265
  601    HA   VAL 140           HA       VAL 140   9.718  -0.604  -0.604
  602    HB   VAL 140           HB       VAL 140   7.051   0.627   0.627
  603   1HG1  VAL 140          3HG1      VAL 140   8.013  -2.034  -2.034
  604   2HG1  VAL 140          2HG1      VAL 140   6.908  -1.809  -1.809
  605   3HG1  VAL 140          1HG1      VAL 140   6.364  -1.476  -1.476
  606   1HG2  VAL 140          2HG2      VAL 140   8.003   1.445   1.445
  607   2HG2  VAL 140          1HG2      VAL 140   6.457   0.603   0.603
  608   3HG2  VAL 140          3HG2      VAL 140   7.947  -0.229  -0.229
  609    H    ASP 141           H        ASP 141  11.198  -0.171  -0.171
  610    HA   ASP 141           HA       ASP 141   9.999   0.224   0.224
  611   1HB   ASP 141          1HB       ASP 141  12.204  -0.313  -0.313
  612   2HB   ASP 141          2HB       ASP 141  12.365   0.782   0.782
  613    H    GLN 142           H        GLN 142   8.303  -1.491  -1.491
  614    HA   GLN 142           HA       GLN 142   9.241  -4.076  -4.076
  615   1HB   GLN 142          2HB       GLN 142   7.207  -3.650  -3.650
  616   2HB   GLN 142          1HB       GLN 142   7.618  -5.203  -5.203
  617   1HG   GLN 142          1HG       GLN 142   9.962  -3.797  -3.797
  618   2HG   GLN 142          2HG       GLN 142   8.770  -4.048  -4.048
  619   1HE2  GLN 142          2HE2      GLN 142  11.182  -6.991  -6.991
  620   2HE2  GLN 142          1HE2      GLN 142  11.448  -5.308  -5.308
  621    H    THR 143           H        THR 143   7.721  -5.287  -5.287
  622    HA   THR 143           HA       THR 143   5.922  -3.671  -3.671
  623    HB   THR 143           HB       THR 143   6.576  -6.621  -6.621
  624    HG1  THR 143          1HG       THR 143   8.286  -5.734  -5.734
  625   1HG2  THR 143          1HG2      THR 143   4.499  -5.164  -5.164
  626   2HG2  THR 143          3HG2      THR 143   5.641  -5.934  -5.934
  627   3HG2  THR 143          2HG2      THR 143   4.792  -6.901  -6.901
  628    H    ILE 144           H        ILE 144   3.684  -3.850  -3.850
  629    HA   ILE 144           HA       ILE 144   2.379  -4.554  -4.554
  630    HB   ILE 144           HB       ILE 144   1.698  -2.696  -2.696
  631   1HG1  ILE 144          1HG1      ILE 144  -0.665  -4.429  -4.429
  632   2HG1  ILE 144          2HG1      ILE 144   0.347  -3.866  -3.866
  633   1HG2  ILE 144          1HG2      ILE 144   1.596  -4.573  -4.573
  634   2HG2  ILE 144          3HG2      ILE 144  -0.096  -4.560  -4.560
  635   3HG2  ILE 144          2HG2      ILE 144   0.670  -3.073  -3.073
  636   1HD1  ILE 144          3HD1      ILE 144  -0.173  -1.623  -1.623
  637   2HD1  ILE 144          2HD1      ILE 144  -1.702  -2.482  -2.482
  638   3HD1  ILE 144          1HD1      ILE 144  -0.798  -1.980  -1.980
  639    H    GLU 145           H        GLU 145   2.828  -6.127  -6.127
  640    HA   GLU 145           HA       GLU 145   0.822  -8.125  -8.125
  641   1HB   GLU 145          2HB       GLU 145   1.426  -7.597  -7.597
  642   2HB   GLU 145          1HB       GLU 145   3.135  -7.839  -7.839
  643   1HG   GLU 145          1HG       GLU 145   3.008 -10.079 -10.079
  644   2HG   GLU 145          2HG       GLU 145   1.368 -10.166 -10.166
  645    H    LYS 146           H        LYS 146   4.193  -7.812  -7.812
  646    HA   LYS 146           HA       LYS 146   4.427 -10.636 -10.636
  647   1HB   LYS 146          2HB       LYS 146   6.283  -8.378  -8.378
  648   2HB   LYS 146          1HB       LYS 146   6.742  -9.507  -9.507
  649   1HG   LYS 146          1HG       LYS 146   7.064 -11.239 -11.239
  650   2HG   LYS 146          2HG       LYS 146   5.946 -10.577 -10.577
  651   1HD   LYS 146          1HD       LYS 146   7.573  -9.449  -9.449
  652   2HD   LYS 146          2HD       LYS 146   8.214  -8.826  -8.826
  653   1HE   LYS 146          2HE       LYS 146   8.700 -11.685 -11.685
  654   2HE   LYS 146          1HE       LYS 146   9.520 -10.572 -10.572
  655   1HZ   LYS 146          3HZ       LYS 146   9.654  -9.998  -9.998
  656   2HZ   LYS 146          2HZ       LYS 146  10.572 -11.298 -11.298
  657   3HZ   LYS 146          1HZ       LYS 146  10.810  -9.747  -9.747
  658    H    VAL 147           H        VAL 147   4.305  -7.511  -7.511
  659    HA   VAL 147           HA       VAL 147   4.901  -8.362  -8.362
  660    HB   VAL 147           HB       VAL 147   4.816  -6.003  -6.003
  661   1HG1  VAL 147          2HG2      VAL 147   2.807  -6.201  -6.201
  662   2HG1  VAL 147          1HG2      VAL 147   1.816  -6.267  -6.267
  663   3HG1  VAL 147          3HG2      VAL 147   2.765  -4.825  -4.825
  664   1HG2  VAL 147          3HG1      VAL 147   4.429  -6.872  -6.872
  665   2HG2  VAL 147          2HG1      VAL 147   4.091  -5.179  -5.179
  666   3HG2  VAL 147          1HG1      VAL 147   2.767  -6.336  -6.336
  667    H    SER 148           H        SER 148   3.362  -8.488  -8.488
  668    HA   SER 148           HA       SER 148   1.369 -10.455 -10.455
  669   1HB   SER 148          1HB       SER 148   2.829 -10.412 -10.412
  670   2HB   SER 148          2HB       SER 148   1.884  -9.038  -9.038
  671    HG   SER 148           HG       SER 148   0.745 -10.617 -10.617
  672    H    PHE 149           H        PHE 149   1.163  -7.218  -7.218
  673    HA   PHE 149           HA       PHE 149  -0.650  -5.924  -5.924
  674   1HB   PHE 149          2HB       PHE 149  -2.526  -7.855  -7.855
  675   2HB   PHE 149          1HB       PHE 149  -2.840  -6.748  -6.748
  676    HD1  PHE 149           HD2      PHE 149  -0.454  -7.446  -7.446
  677    HD2  PHE 149           HD1      PHE 149  -3.257  -9.870  -9.870
  678    HE1  PHE 149           HE2      PHE 149  -0.069  -9.270  -9.270
  679    HE2  PHE 149           HE1      PHE 149  -2.878 -11.699 -11.699
  680    HZ   PHE 149           HZ       PHE 149  -1.282 -11.400 -11.400
  681    H    CYS 150           H        CYS 150  -2.540  -4.817  -4.817
  682    HA   CYS 150           HA       CYS 150  -1.540  -4.313  -4.313
  683   1HB   CYS 150          2HB       CYS 150  -1.651  -2.488  -2.488
  684   2HB   CYS 150          1HB       CYS 150  -3.352  -2.417  -2.417
  685    HG   CYS 150           HG       CYS 150  -2.781  -1.295  -1.295
  686    H    ALA 151           H        ALA 151  -3.202  -3.568  -3.568
  687    HA   ALA 151           HA       ALA 151  -5.923  -4.426  -4.426
  688   1HB   ALA 151          3HB       ALA 151  -4.237  -6.359  -6.359
  689   2HB   ALA 151          2HB       ALA 151  -4.847  -5.703  -5.703
  690   3HB   ALA 151          1HB       ALA 151  -5.973  -6.320  -6.320
  691    HA   PRO 152           HA       PRO 152  -5.825  -0.600  -0.600
  692   1HB   PRO 152          2HB       PRO 152  -8.744  -1.064  -1.064
  693   2HB   PRO 152          1HB       PRO 152  -7.804   0.420   0.420
  694   1HG   PRO 152          2HG       PRO 152  -8.655  -0.976  -0.976
  695   2HG   PRO 152          1HG       PRO 152  -7.086  -0.153  -0.153
  696   1HD   PRO 152          1HD       PRO 152  -7.706  -3.049  -3.049
  697   2HD   PRO 152          2HD       PRO 152  -6.287  -2.249  -2.249
  698    H    ASP 153           H        ASP 153  -5.752  -0.607  -0.607
  699    HA   ASP 153           HA       ASP 153  -6.147  -2.684  -2.684
  700   1HB   ASP 153          1HB       ASP 153  -6.237   0.262   0.262
  701   2HB   ASP 153          2HB       ASP 153  -6.821  -0.734  -0.734
  702    H    ARG 154           H        ARG 154  -8.499  -0.062  -0.062
  703    HA   ARG 154           HA       ARG 154 -10.733  -1.814  -1.814
  704   1HB   ARG 154          2HB       ARG 154 -11.688  -1.241  -1.241
  705   2HB   ARG 154          1HB       ARG 154 -10.518  -2.545  -2.545
  706   1HG   ARG 154          2HG       ARG 154  -8.806  -0.607  -0.607
  707   2HG   ARG 154          1HG       ARG 154 -10.232   0.134   0.134
  708   1HD   ARG 154          1HD       ARG 154 -10.106  -2.609  -2.609
  709   2HD   ARG 154          2HD       ARG 154  -8.542  -1.854  -1.854
  710    HE   ARG 154           HE       ARG 154 -10.248  -0.067  -0.067
  711   1HH1  ARG 154          1HH1      ARG 154  -9.983  -3.523  -3.523
  712   2HH1  ARG 154          2HH1      ARG 154 -10.610  -3.533  -3.533
  713   1HH2  ARG 154          2HH2      ARG 154 -11.074  -0.072  -0.072
  714   2HH2  ARG 154          1HH2      ARG 154 -11.230  -1.572  -1.572
  715    H    ASN 155           H        ASN 155  -9.567   0.821   0.821
  716    HA   ASN 155           HA       ASN 155 -10.208   2.974   2.974
  717   1HB   ASN 155          2HB       ASN 155 -11.666   1.563   1.563
  718   2HB   ASN 155          1HB       ASN 155 -12.915   1.642   1.642
  719   1HD2  ASN 155          2HD2      ASN 155 -14.240   4.412   4.412
  720   2HD2  ASN 155          1HD2      ASN 155 -14.454   2.822   2.822
  721    H    HIS 156           H        HIS 156 -10.285   2.263   2.263
  722    HA   HIS 156           HA       HIS 156 -12.580   3.695   3.695
  723   1HB   HIS 156          1HB       HIS 156 -11.474   1.618   1.618
  724   2HB   HIS 156          2HB       HIS 156 -10.244   2.740   2.740
  725    HD1  HIS 156           HD1      HIS 156 -12.913   4.866   4.866
  726    HD2  HIS 156           HD2      HIS 156 -11.958   1.336   1.336
  727    HE1  HIS 156           HE1      HIS 156 -14.172   4.915   4.915
  728    H    GLU 157           H        GLU 157  -9.391   4.437   4.437
  729    HA   GLU 157           HA       GLU 157  -9.829   7.161   7.161
  730   1HB   GLU 157          1HB       GLU 157  -7.268   6.934   6.934
  731   2HB   GLU 157          2HB       GLU 157  -8.731   7.103   7.103
  732   1HG   GLU 157          2HG       GLU 157  -8.885   4.620   4.620
  733   2HG   GLU 157          1HG       GLU 157  -7.308   4.556   4.556
  734    H    ARG 158           H        ARG 158  -9.334   5.478   5.478
  735    HA   ARG 158           HA       ARG 158  -8.337   5.765   5.765
  736   1HB   ARG 158          1HB       ARG 158  -6.844   8.127   8.127
  737   2HB   ARG 158          2HB       ARG 158  -7.351   7.837   7.837
  738   1HG   ARG 158          2HG       ARG 158  -9.077   8.568   8.568
  739   2HG   ARG 158          1HG       ARG 158  -8.765   9.519   9.519
  740   1HD   ARG 158          2HD       ARG 158 -10.621   8.637   8.637
  741   2HD   ARG 158          1HD       ARG 158  -9.744   7.111   7.111
  742    HE   ARG 158           HE       ARG 158 -10.956   6.316   6.316
  743   1HH1  ARG 158          1HH1      ARG 158 -11.420   9.756   9.756
  744   2HH1  ARG 158          2HH1      ARG 158 -12.703   9.809   9.809
  745   1HH2  ARG 158          1HH2      ARG 158 -12.644   6.373   6.373
  746   2HH2  ARG 158          2HH2      ARG 158 -13.400   7.886   7.886
  747    H    GLY 159           H        GLY 159  -7.226   3.929   3.929
  748   1HA   GLY 159          1HA       GLY 159  -4.319   4.310   4.310
  749   2HA   GLY 159          2HA       GLY 159  -5.060   3.255   3.255
  750    H    PHE 160           H        PHE 160  -3.064   2.768   2.768
  751    HA   PHE 160           HA       PHE 160  -4.370   0.385   0.385
  752   1HB   PHE 160          2HB       PHE 160  -2.722   2.141   2.141
  753   2HB   PHE 160          1HB       PHE 160  -3.795   0.818   0.818
  754    HD1  PHE 160           HD2      PHE 160  -3.717   4.267   4.267
  755    HD2  PHE 160           HD1      PHE 160  -6.053   1.215   1.215
  756    HE1  PHE 160           HE2      PHE 160  -5.533   5.885   5.885
  757    HE2  PHE 160           HE1      PHE 160  -7.874   2.827   2.827
  758    HZ   PHE 160           HZ       PHE 160  -7.615   5.165   5.165
  759    H    SER 161           H        SER 161  -2.559  -0.872  -0.872
  760    HA   SER 161           HA       SER 161   0.133  -0.568  -0.568
  761   1HB   SER 161          2HB       SER 161  -1.641  -2.272  -2.272
  762   2HB   SER 161          1HB       SER 161  -0.032  -2.898  -2.898
  763    HG   SER 161           HG       SER 161   0.742  -1.548  -1.548
  764    H    TYR 162           H        TYR 162   1.435  -1.692  -1.692
  765    HA   TYR 162           HA       TYR 162   0.202  -3.567  -3.567
  766   1HB   TYR 162          2HB       TYR 162   2.927  -2.245  -2.245
  767   2HB   TYR 162          1HB       TYR 162   2.344  -3.338  -3.338
  768    HD1  TYR 162           HD2      TYR 162   0.365  -2.649  -2.649
  769    HD2  TYR 162           HD1      TYR 162   2.381   0.045   0.045
  770    HE1  TYR 162           HE2      TYR 162  -0.620  -0.750  -0.750
  771    HE2  TYR 162           HE1      TYR 162   1.402   1.952   1.952
  772    HH   TYR 162           HH2      TYR 162  -1.105   1.945   1.945
  773    H    ILE 163           H        ILE 163   2.155  -5.206  -5.206
  774    HA   ILE 163           HA       ILE 163   3.678  -6.316  -6.316
  775    HB   ILE 163           HB       ILE 163   2.351  -8.616  -8.616
  776   1HG1  ILE 163          1HG1      ILE 163   0.181  -6.506  -6.506
  777   2HG1  ILE 163          2HG1      ILE 163   0.599  -7.492  -7.492
  778   1HG2  ILE 163          1HG2      ILE 163   3.018  -7.471  -7.471
  779   2HG2  ILE 163          3HG2      ILE 163   1.468  -6.630  -6.630
  780   3HG2  ILE 163          2HG2      ILE 163   1.514  -8.389  -8.389
  781   1HD1  ILE 163          1HD1      ILE 163   0.164  -9.423  -9.423
  782   2HD1  ILE 163          3HD1      ILE 163  -0.934  -8.180  -8.180
  783   3HD1  ILE 163          2HD1      ILE 163  -1.085  -8.766  -8.766
  784    H    CYS 164           H        CYS 164   5.275  -7.626  -7.626
  785    HA   CYS 164           HA       CYS 164   5.032  -8.617  -8.617
  786   1HB   CYS 164          2HB       CYS 164   7.176  -7.767  -7.767
  787   2HB   CYS 164          1HB       CYS 164   6.253  -6.420  -6.420
  788    HG   CYS 164           HG       CYS 164   7.990  -6.080  -6.080
  789    H    ARG 165           H        ARG 165   5.599 -10.672 -10.672
  790    HA   ARG 165           HA       ARG 165   6.684 -12.044 -12.044
  791   1HB   ARG 165          1HB       ARG 165   6.531 -14.052 -14.052
  792   2HB   ARG 165          2HB       ARG 165   5.019 -13.182 -13.182
  793   1HG   ARG 165          1HG       ARG 165   6.413 -12.151 -12.151
  794   2HG   ARG 165          2HG       ARG 165   6.276 -13.907 -13.907
  795   1HD   ARG 165          2HD       ARG 165   4.055 -11.905 -11.905
  796   2HD   ARG 165          1HD       ARG 165   4.346 -12.958 -12.958
  797    HE   ARG 165           HE       ARG 165   2.955 -13.627 -13.627
  798   1HH1  ARG 165          2HH1      ARG 165   5.018 -14.930 -14.930
  799   2HH1  ARG 165          1HH1      ARG 165   4.437 -16.551 -16.551
  800   1HH2  ARG 165          1HH2      ARG 165   2.182 -15.758 -15.758
  801   2HH2  ARG 165          2HH2      ARG 165   2.823 -17.021 -17.021
  802    H    ASP 166           H        ASP 166   8.747 -11.159 -11.159
  803    HA   ASP 166           HA       ASP 166  10.986 -10.927 -10.927
  804   1HB   ASP 166          2HB       ASP 166  10.963 -13.303 -13.303
  805   2HB   ASP 166          1HB       ASP 166  10.529 -13.619 -13.619
  806    H    GLY 167           H        GLY 167  10.748 -12.748 -12.748
  807   1HA   GLY 167          2HA       GLY 167  11.240 -12.168 -12.168
  808   2HA   GLY 167          1HA       GLY 167  10.506 -10.613 -10.613
  809    H    THR 168           H        THR 168  11.846  -8.964  -8.964
  810    HA   THR 168           HA       THR 168  14.730  -9.364  -9.364
  811    HB   THR 168           HB       THR 168  14.184  -6.784  -6.784
  812    HG1  THR 168          1HG       THR 168  12.928  -7.262  -7.262
  813   1HG2  THR 168          2HG2      THR 168  16.163  -8.159  -8.159
  814   2HG2  THR 168          1HG2      THR 168  15.144  -9.226  -9.226
  815   3HG2  THR 168          3HG2      THR 168  15.361  -7.543  -7.543
  816    H    THR 169           H        THR 169  12.699  -8.936  -8.936
  817    HA   THR 169           HA       THR 169  13.849  -6.499  -6.499
  818    HB   THR 169           HB       THR 169  11.166  -7.647  -7.647
  819    HG1  THR 169          1HG       THR 169  10.980  -7.116  -7.116
  820   1HG2  THR 169          1HG2      THR 169  12.537  -5.779  -5.779
  821   2HG2  THR 169          3HG2      THR 169  11.721  -4.761  -4.761
  822   3HG2  THR 169          2HG2      THR 169  10.775  -5.787  -5.787
  823    H    ARG 170           H        ARG 170  14.645  -9.390  -9.390
  824    HA   ARG 170           HA       ARG 170  15.816 -10.549 -10.549
  825   1HB   ARG 170          1HB       ARG 170  14.338  -9.129  -9.129
  826   2HB   ARG 170          2HB       ARG 170  15.911  -9.913  -9.913
  827   1HG   ARG 170          1HG       ARG 170  16.388  -8.011  -8.011
  828   2HG   ARG 170          2HG       ARG 170  15.180  -7.196  -7.196
  829   1HD   ARG 170          2HD       ARG 170  17.330  -6.660  -6.660
  830   2HD   ARG 170          1HD       ARG 170  16.553  -7.777  -7.777
  831    HE   ARG 170           HE       ARG 170  18.109  -9.259  -9.259
  832   1HH1  ARG 170          1HH1      ARG 170  18.494  -6.966  -6.966
  833   2HH1  ARG 170          2HH1      ARG 170  20.044  -7.573  -7.573
  834   1HH2  ARG 170          1HH2      ARG 170  20.149 -10.066 -10.066
  835   2HH2  ARG 170          2HH2      ARG 170  20.986  -9.336  -9.336
  836    H    ARG 171           H        ARG 171  12.681  -9.936  -9.936
  837    HA   ARG 171           HA       ARG 171  11.861 -12.670 -12.670
  838   1HB   ARG 171          1HB       ARG 171  11.480 -13.280 -13.280
  839   2HB   ARG 171          2HB       ARG 171  13.146 -12.739 -12.739
  840   1HG   ARG 171          2HG       ARG 171  12.819 -10.927 -10.927
  841   2HG   ARG 171          1HG       ARG 171  11.157 -10.692 -10.692
  842   1HD   ARG 171          1HD       ARG 171  10.886 -11.372 -11.372
  843   2HD   ARG 171          2HD       ARG 171  10.674 -12.873 -12.873
  844    HE   ARG 171           HE       ARG 171  13.302 -12.906 -12.906
  845   1HH1  ARG 171          1HH1      ARG 171  10.477 -12.364 -12.364
  846   2HH1  ARG 171          2HH1      ARG 171  11.190 -13.014 -13.014
  847   1HH2  ARG 171          1HH2      ARG 171  14.253 -13.765 -13.765
  848   2HH2  ARG 171          2HH2      ARG 171  13.337 -13.809 -13.809
  849    H    TRP 172           H        TRP 172   9.682 -12.785 -12.785
  850    HA   TRP 172           HA       TRP 172   7.706 -11.386 -11.386
  851   1HB   TRP 172          1HB       TRP 172   7.438 -12.291 -12.291
  852   2HB   TRP 172          2HB       TRP 172   6.169 -12.144 -12.144
  853    HD1  TRP 172           HD1      TRP 172   6.866 -14.832 -14.832
  854    HE1  TRP 172           HE1      TRP 172   7.338 -16.990 -16.990
  855    HE3  TRP 172           HE3      TRP 172   8.102 -12.791 -12.791
  856    HZ2  TRP 172          2HZ       TRP 172   8.127 -17.736 -17.736
  857    HZ3  TRP 172           HZ3      TRP 172   8.703 -14.307 -14.307
  858    HH2  TRP 172           HH2      TRP 172   8.714 -16.726 -16.726
  859    H    MET 173           H        MET 173   8.273  -9.233  -9.233
  860    HA   MET 173           HA       MET 173   8.556  -7.701  -7.701
  861   1HB   MET 173          1HB       MET 173   9.013  -6.910  -6.910
  862   2HB   MET 173          2HB       MET 173   9.293  -5.866  -5.866
  863   1HG   MET 173          2HG       MET 173  10.662  -8.365  -8.365
  864   2HG   MET 173          1HG       MET 173  11.088  -7.631  -7.631
  865   1HE   MET 173          1HE       MET 173  10.388  -6.809  -6.809
  866   2HE   MET 173          3HE       MET 173  11.462  -5.455  -5.455
  867   3HE   MET 173          2HE       MET 173  10.047  -5.210  -5.210
  868    H    CYS 174           H        CYS 174   6.758  -6.965  -6.965
  869    HA   CYS 174           HA       CYS 174   4.429  -6.348  -6.348
  870   1HB   CYS 174          2HB       CYS 174   5.010  -6.825  -6.825
  871   2HB   CYS 174          1HB       CYS 174   3.963  -5.428  -5.428
  872    HG   CYS 174           HG       CYS 174   2.418  -7.467  -7.467
  873    H    HIS 175           H        HIS 175   3.515  -4.267  -4.267
  874    HA   HIS 175           HA       HIS 175   5.335  -2.059  -2.059
  875   1HB   HIS 175          2HB       HIS 175   3.782  -2.367  -2.367
  876   2HB   HIS 175          1HB       HIS 175   4.839  -1.021  -1.021
  877    HD1  HIS 175           HD1      HIS 175   7.169  -1.230  -1.230
  878    HD2  HIS 175           HD2      HIS 175   5.300  -4.918  -4.918
  879    HE1  HIS 175           HE1      HIS 175   8.786  -2.949  -2.949
  880    H    GLY 176           H        GLY 176   4.361   0.048   0.048
  881   1HA   GLY 176          1HA       GLY 176   1.446   0.112   0.112
  882   2HA   GLY 176          2HA       GLY 176   2.406   0.558   0.558
  883    H    PHE 177           H        PHE 177   0.544   2.036   2.036
  884    HA   PHE 177           HA       PHE 177   2.143   4.439   4.439
  885   1HB   PHE 177          2HB       PHE 177   1.952   4.864   4.864
  886   2HB   PHE 177          1HB       PHE 177   2.657   3.266   3.266
  887    HD1  PHE 177           HD1      PHE 177   0.496   1.468   1.468
  888    HD2  PHE 177           HD2      PHE 177   0.684   4.937   4.937
  889    HE1  PHE 177           HE1      PHE 177  -1.228   0.518   0.518
  890    HE2  PHE 177           HE2      PHE 177  -1.043   3.992   3.992
  891    HZ   PHE 177           HZ       PHE 177  -2.000   1.777   1.777
  892    H    LEU 178           H        LEU 178   0.893   5.896   5.896
  893    HA   LEU 178           HA       LEU 178  -2.001   5.682   5.682
  894   1HB   LEU 178          2HB       LEU 178  -0.333   6.387   6.387
  895   2HB   LEU 178          1HB       LEU 178  -0.791   7.965   7.965
  896    HG   LEU 178           HG       LEU 178  -2.255   7.341   7.341
  897   1HD1  LEU 178          1HD1      LEU 178  -3.430   7.387   7.387
  898   2HD1  LEU 178          3HD1      LEU 178  -4.464   7.258   7.258
  899   3HD1  LEU 178          2HD1      LEU 178  -3.405   8.654   8.654
  900   1HD2  LEU 178          3HD2      LEU 178  -2.527   4.810   4.810
  901   2HD2  LEU 178          2HD2      LEU 178  -2.258   5.044   5.044
  902   3HD2  LEU 178          1HD2      LEU 178  -3.850   5.350   5.350
  903    H    ALA 179           H        ALA 179  -3.149   6.761   6.761
  904    HA   ALA 179           HA       ALA 179  -2.205   8.311   8.311
  905   1HB   ALA 179          3HB       ALA 179  -4.503   7.388   7.388
  906   2HB   ALA 179          2HB       ALA 179  -4.908   8.711   8.711
  907   3HB   ALA 179          1HB       ALA 179  -4.444   9.054   9.054
  908    H    CYS 180           H        CYS 180  -1.642  10.372  10.372
  909    HA   CYS 180           HA       CYS 180  -0.922  12.035  12.035
  910   1HB   CYS 180          2HB       CYS 180  -0.567  11.978  11.978
  911   2HB   CYS 180          1HB       CYS 180  -1.253  13.549  13.549
  912    HG   CYS 180           HG       CYS 180   0.858  14.237  14.237
  913    H    LYS 181           H        LYS 181  -3.317  12.774  12.774
  914    HA   LYS 181           HA       LYS 181  -4.540  14.894  14.894
  915   1HB   LYS 181          1HB       LYS 181  -6.028  13.031  13.031
  916   2HB   LYS 181          2HB       LYS 181  -6.267  14.758  14.758
  917   1HG   LYS 181          1HG       LYS 181  -3.592  14.323  14.323
  918   2HG   LYS 181          2HG       LYS 181  -4.690  13.445  13.445
  919   1HD   LYS 181          1HD       LYS 181  -4.919  15.412  15.412
  920   2HD   LYS 181          2HD       LYS 181  -5.984  15.829  15.829
  921   1HE   LYS 181          1HE       LYS 181  -4.618  17.573  17.573
  922   2HE   LYS 181          2HE       LYS 181  -3.514  16.399  16.399
  923   1HZ   LYS 181          3HZ       LYS 181  -3.498  16.981  16.981
  924   2HZ   LYS 181          2HZ       LYS 181  -2.598  17.903  17.903
  925   3HZ   LYS 181          1HZ       LYS 181  -2.291  16.247  16.247
  926    H    ASP 182           H        ASP 182  -5.034  11.441  11.441
  927    HA   ASP 182           HA       ASP 182  -6.171  10.140  10.140
  928   1HB   ASP 182          1HB       ASP 182  -5.529  12.566  12.566
  929   2HB   ASP 182          2HB       ASP 182  -7.018  11.830  11.830
  930    H    SER 183           H        SER 183  -7.873   9.917   9.917
  931    HA   SER 183           HA       SER 183 -10.418  10.507  10.507
  932   1HB   SER 183          2HB       SER 183  -9.478  12.697  12.697
  933   2HB   SER 183          1HB       SER 183 -10.208  11.872  11.872
  934    HG   SER 183           HG       SER 183 -11.623  13.320  13.320
  935    H    GLY 184           H        GLY 184  -8.857   8.282   8.282
  936   1HA   GLY 184          2HA       GLY 184  -9.055   6.550   6.550
  937   2HA   GLY 184          1HA       GLY 184 -10.743   6.682   6.682
  938    H    GLU 185           H        GLU 185  -9.095   9.218   9.218
  939    HA   GLU 185           HA       GLU 185 -10.384   8.368   8.368
  940   1HB   GLU 185          2HB       GLU 185 -10.958  10.820  10.820
  941   2HB   GLU 185          1HB       GLU 185 -10.826  11.018  11.018
  942   1HG   GLU 185          2HG       GLU 185 -12.593   9.467   9.467
  943   2HG   GLU 185          1HG       GLU 185 -12.629   9.005   9.005
  944    H    ARG 186           H        ARG 186  -7.738   8.048   8.048
  945    HA   ARG 186           HA       ARG 186  -6.593   9.720   9.720
  946   1HB   ARG 186          2HB       ARG 186  -5.990  10.164  10.164
  947   2HB   ARG 186          1HB       ARG 186  -4.592  10.077  10.077
  948   1HG   ARG 186          2HG       ARG 186  -4.968  12.282  12.282
  949   2HG   ARG 186          1HG       ARG 186  -6.142  11.751  11.751
  950   1HD   ARG 186          1HD       ARG 186  -7.588  11.587  11.587
  951   2HD   ARG 186          2HD       ARG 186  -6.559  12.982  12.982
  952    HE   ARG 186           HE       ARG 186  -7.518  13.491  13.491
  953   1HH1  ARG 186          1HH1      ARG 186  -9.043  12.609  12.609
  954   2HH1  ARG 186          2HH1      ARG 186 -10.514  13.457  13.457
  955   1HH2  ARG 186          1HH2      ARG 186  -9.449  14.609  14.609
  956   2HH2  ARG 186          2HH2      ARG 186 -10.743  14.594  14.594
  957    H    LEU 187           H        LEU 187  -6.006   7.327   7.327
  958    HA   LEU 187           HA       LEU 187  -4.130   5.972   5.972
  959   1HB   LEU 187          1HB       LEU 187  -4.215   6.198   6.198
  960   2HB   LEU 187          2HB       LEU 187  -3.420   4.829   4.829
  961    HG   LEU 187           HG       LEU 187  -1.799   6.224   6.224
  962   1HD1  LEU 187          3HD1      LEU 187  -3.602   8.485   8.485
  963   2HD1  LEU 187          2HD1      LEU 187  -1.917   8.734   8.734
  964   3HD1  LEU 187          1HD1      LEU 187  -3.054   8.045   8.045
  965   1HD2  LEU 187          1HD2      LEU 187  -2.030   6.007   6.007
  966   2HD2  LEU 187          3HD2      LEU 187  -0.615   6.607   6.607
  967   3HD2  LEU 187          2HD2      LEU 187  -1.806   7.741   7.741
  968    H    SER 188           H        SER 188  -6.824   5.550   5.550
  969    HA   SER 188           HA       SER 188  -7.055   2.775   2.775
  970   1HB   SER 188          1HB       SER 188  -8.358   4.519   4.519
  971   2HB   SER 188          2HB       SER 188  -9.470   4.570   4.570
  972    HG   SER 188           HG       SER 188  -9.971   2.457   2.457
  973    H    HIS 189           H        HIS 189  -8.906   5.126   5.126
  974    HA   HIS 189           HA       HIS 189  -9.852   3.090   3.090
  975   1HB   HIS 189          2HB       HIS 189 -10.786   5.536   5.536
  976   2HB   HIS 189          1HB       HIS 189  -9.963   5.926   5.926
  977    HD1  HIS 189           HD1      HIS 189 -12.822   3.852   3.852
  978    HD2  HIS 189           HD2      HIS 189 -11.185   5.051   5.051
  979    HE1  HIS 189           HE1      HIS 189 -14.494   3.201   3.201
  980    H    ALA 190           H        ALA 190  -7.129   5.237   5.237
  981    HA   ALA 190           HA       ALA 190  -6.483   5.197   5.197
  982   1HB   ALA 190          1HB       ALA 190  -4.783   5.707   5.707
  983   2HB   ALA 190          3HB       ALA 190  -4.215   5.901   5.901
  984   3HB   ALA 190          2HB       ALA 190  -5.539   6.901   6.901
  985    H    VAL 191           H        VAL 191  -4.768   3.550   3.550
  986    HA   VAL 191           HA       VAL 191  -3.486   1.728   1.728
  987    HB   VAL 191           HB       VAL 191  -3.739   1.040   1.040
  988   1HG1  VAL 191          1HG2      VAL 191  -2.031   0.421   0.421
  989   2HG1  VAL 191          3HG2      VAL 191  -1.087   1.005   1.005
  990   3HG1  VAL 191          2HG2      VAL 191  -2.164  -0.377  -0.377
  991   1HG2  VAL 191          3HG1      VAL 191  -2.777   3.609   3.609
  992   2HG2  VAL 191          2HG1      VAL 191  -3.116   3.075   3.075
  993   3HG2  VAL 191          1HG1      VAL 191  -1.554   2.722   2.722
  994    H    GLY 192           H        GLY 192  -6.454   1.706   1.706
  995   1HA   GLY 192          1HA       GLY 192  -7.045  -1.019  -1.019
  996   2HA   GLY 192          2HA       GLY 192  -8.244   0.261   0.261
  997    H    CYS 193           H        CYS 193  -7.017   1.227   1.227
  998    HA   CYS 193           HA       CYS 193  -8.215  -0.729  -0.729
  999   1HB   CYS 193          2HB       CYS 193  -9.038   1.571   1.571
 1000   2HB   CYS 193          1HB       CYS 193  -7.399   2.153   2.153
 1001    HG   CYS 193           HG       CYS 193  -8.875   1.813   1.813
 1002    H    ALA 194           H        ALA 194  -5.189   0.615   0.615
 1003    HA   ALA 194           HA       ALA 194  -3.551   0.362   0.362
 1004   1HB   ALA 194          1HB       ALA 194  -2.978  -0.339  -0.339
 1005   2HB   ALA 194          3HB       ALA 194  -1.742  -0.205  -0.205
 1006   3HB   ALA 194          2HB       ALA 194  -2.705   1.203   1.203
 1007    H    PHE 195           H        PHE 195  -4.783  -2.206  -2.206
 1008    HA   PHE 195           HA       PHE 195  -3.307  -4.277  -4.277
 1009   1HB   PHE 195          1HB       PHE 195  -5.658  -4.546  -4.546
 1010   2HB   PHE 195          2HB       PHE 195  -4.522  -5.814  -5.814
 1011    HD1  PHE 195           HD2      PHE 195  -2.157  -5.664  -5.664
 1012    HD2  PHE 195           HD1      PHE 195  -5.168  -3.018  -3.018
 1013    HE1  PHE 195           HE2      PHE 195  -0.715  -5.052  -5.052
 1014    HE2  PHE 195           HE1      PHE 195  -3.732  -2.402  -2.402
 1015    HZ   PHE 195           HZ       PHE 195  -1.502  -3.421  -3.421
 1016    H    ALA 196           H        ALA 196  -6.386  -2.720  -2.720
 1017    HA   ALA 196           HA       ALA 196  -7.966  -4.516  -4.516
 1018   1HB   ALA 196          1HB       ALA 196  -8.453  -2.088  -2.088
 1019   2HB   ALA 196          3HB       ALA 196  -7.750  -1.669  -1.669
 1020   3HB   ALA 196          2HB       ALA 196  -9.178  -2.701  -2.701
 1021    H    VAL 197           H        VAL 197  -5.383  -2.520  -2.520
 1022    HA   VAL 197           HA       VAL 197  -5.759  -3.372  -3.372
 1023    HB   VAL 197           HB       VAL 197  -3.238  -2.310  -2.310
 1024   1HG1  VAL 197          3HG2      VAL 197  -3.456  -3.468  -3.468
 1025   2HG1  VAL 197          2HG2      VAL 197  -3.796  -1.784  -1.784
 1026   3HG1  VAL 197          1HG2      VAL 197  -2.285  -2.215  -2.215
 1027   1HG2  VAL 197          2HG1      VAL 197  -5.756  -1.044  -1.044
 1028   2HG2  VAL 197          1HG1      VAL 197  -4.364  -0.401  -0.401
 1029   3HG2  VAL 197          3HG1      VAL 197  -4.419  -0.315  -0.315
 1030    H    CYS 198           H        CYS 198  -4.017  -4.677  -4.677
 1031    HA   CYS 198           HA       CYS 198  -2.371  -6.495  -6.495
 1032   1HB   CYS 198          1HB       CYS 198  -2.224  -5.725  -5.725
 1033   2HB   CYS 198          2HB       CYS 198  -3.402  -6.996  -6.996
 1034    HG   CYS 198           HG       CYS 198  -0.994  -8.097  -8.097
 1035    H    LEU 199           H        LEU 199  -5.362  -7.077  -7.077
 1036    HA   LEU 199           HA       LEU 199  -5.876  -9.389  -9.389
 1037   1HB   LEU 199          1HB       LEU 199  -7.022 -10.471 -10.471
 1038   2HB   LEU 199          2HB       LEU 199  -5.380 -10.072 -10.072
 1039    HG   LEU 199           HG       LEU 199  -7.711  -8.322  -8.322
 1040   1HD1  LEU 199          1HD2      LEU 199  -7.265 -10.961 -10.961
 1041   2HD1  LEU 199          3HD2      LEU 199  -6.760  -9.890  -9.890
 1042   3HD1  LEU 199          2HD2      LEU 199  -8.392  -9.772  -9.772
 1043   1HD2  LEU 199          1HD1      LEU 199  -4.848  -8.272  -8.272
 1044   2HD2  LEU 199          3HD1      LEU 199  -6.054  -7.023  -7.023
 1045   3HD2  LEU 199          2HD1      LEU 199  -5.722  -8.250  -8.250
 1046    H    GLU 200           H        GLU 200  -6.691  -7.091  -7.091
 1047    HA   GLU 200           HA       GLU 200  -9.066  -5.937  -5.937
 1048   1HB   GLU 200          2HB       GLU 200  -7.441  -5.465  -5.465
 1049   2HB   GLU 200          1HB       GLU 200  -8.596  -6.452  -6.452
 1050   1HG   GLU 200          2HG       GLU 200  -9.919  -4.445  -4.445
 1051   2HG   GLU 200          1HG       GLU 200  -8.755  -3.732  -3.732
 1052    H    ARG 201           H        ARG 201  -8.539  -8.990  -8.990
 1053    HA   ARG 201           HA       ARG 201 -11.411  -9.397  -9.397
 1054   1HB   ARG 201          2HB       ARG 201  -9.303 -11.429 -11.429
 1055   2HB   ARG 201          1HB       ARG 201 -10.892 -11.212 -11.212
 1056   1HG   ARG 201          2HG       ARG 201  -9.601  -8.830  -8.830
 1057   2HG   ARG 201          1HG       ARG 201  -8.343 -10.052 -10.052
 1058   1HD   ARG 201          1HD       ARG 201  -9.187 -10.294 -10.294
 1059   2HD   ARG 201          2HD       ARG 201 -10.454 -11.223 -11.223
 1060    HE   ARG 201           HE       ARG 201 -11.930  -9.507  -9.507
 1061   1HH1  ARG 201          1HH2      ARG 201  -8.681  -8.424  -8.424
 1062   2HH1  ARG 201          2HH2      ARG 201  -9.179  -6.933  -6.933
 1063   1HH2  ARG 201          1HH1      ARG 201 -11.407  -6.433  -6.433
 1064   2HH2  ARG 201          2HH1      ARG 201 -12.598  -7.546  -7.546
 1065    H    LYS 202           H        LYS 202  -9.927  -9.323  -9.323
 1066    HA   LYS 202           HA       LYS 202  -9.831 -10.447 -10.447
 1067   1HB   LYS 202          2HB       LYS 202 -12.356 -11.659 -11.659
 1068   2HB   LYS 202          1HB       LYS 202 -11.862 -11.779 -11.779
 1069   1HG   LYS 202          1HG       LYS 202 -12.505  -9.235  -9.235
 1070   2HG   LYS 202          2HG       LYS 202 -13.538 -10.047 -10.047
 1071   1HD   LYS 202          1HD       LYS 202 -11.394  -9.804  -9.804
 1072   2HD   LYS 202          2HD       LYS 202 -11.048  -8.472  -8.472
 1073   1HE   LYS 202          1HE       LYS 202 -13.533  -8.836  -8.836
 1074   2HE   LYS 202          2HE       LYS 202 -12.257  -7.645  -7.645
 1075   1HZ   LYS 202          2HZ       LYS 202 -13.574  -7.652  -7.652
 1076   2HZ   LYS 202          1HZ       LYS 202 -14.474  -7.079  -7.079
 1077   3HZ   LYS 202          3HZ       LYS 202 -12.999  -6.353  -6.353
 1078    H    GLN 203           H        GLN 203  -8.133 -11.528 -11.528
 1079    HA   GLN 203           HA       GLN 203  -8.375 -14.285 -14.285
 1080   1HB   GLN 203          1HB       GLN 203  -6.584 -12.434 -12.434
 1081   2HB   GLN 203          2HB       GLN 203  -5.675 -13.176 -13.176
 1082   1HG   GLN 203          2HG       GLN 203  -6.215 -15.401 -15.401
 1083   2HG   GLN 203          1HG       GLN 203  -6.644 -14.409 -14.409
 1084   1HE2  GLN 203          1HE2      GLN 203  -2.816 -15.233 -15.233
 1085   2HE2  GLN 203          2HE2      GLN 203  -4.151 -15.910 -15.910
 1086    H    ARG 204           H        ARG 204  -7.812 -12.545 -12.545
 1087    HA   ARG 204           HA       ARG 204  -6.238 -14.153 -14.153
 1088   1HB   ARG 204          2HB       ARG 204  -8.294 -12.174 -12.174
 1089   2HB   ARG 204          1HB       ARG 204  -8.317 -13.427 -13.427
 1090   1HG   ARG 204          1HG       ARG 204  -6.870 -11.323 -11.323
 1091   2HG   ARG 204          2HG       ARG 204  -6.211 -12.906 -12.906
 1092   1HD   ARG 204          2HD       ARG 204  -4.646 -12.826 -12.826
 1093   2HD   ARG 204          1HD       ARG 204  -5.711 -12.002 -12.002
 1094    HE   ARG 204           HE       ARG 204  -4.955 -10.270 -10.270
 1095   1HH1  ARG 204          2HH1      ARG 204  -3.761 -11.741 -11.741
 1096   2HH1  ARG 204          1HH1      ARG 204  -2.620 -10.478 -10.478
 1097   1HH2  ARG 204          1HH2      ARG 204  -3.458  -8.603  -8.603
 1098   2HH2  ARG 204          2HH2      ARG 204  -2.447  -8.694  -8.694
 1099    H    ARG 205           H        ARG 205  -6.350 -16.160 -16.160
 1100    HA   ARG 205           HA       ARG 205  -8.861 -17.638 -17.638
 1101   1HB   ARG 205          2HB       ARG 205  -6.023 -18.325 -18.325
 1102   2HB   ARG 205          1HB       ARG 205  -6.951 -19.502 -19.502
 1103   1HG   ARG 205          1HG       ARG 205  -8.606 -19.328 -19.328
 1104   2HG   ARG 205          2HG       ARG 205  -7.179 -18.726 -18.726
 1105   1HD   ARG 205          1HD       ARG 205  -6.180 -20.741 -20.741
 1106   2HD   ARG 205          2HD       ARG 205  -6.735 -21.140 -21.140
 1107    HE   ARG 205           HE       ARG 205  -7.899 -21.997 -21.997
 1108   1HH1  ARG 205          2HH2      ARG 205  -8.774 -20.820 -20.820
 1109   2HH1  ARG 205          1HH2      ARG 205 -10.295 -21.648 -21.648
 1110   1HH2  ARG 205          2HH1      ARG 205  -9.900 -23.093 -23.093
 1111   2HH2  ARG 205          1HH1      ARG 205 -10.935 -22.941 -22.941
 1112    H    THR 206           H        THR 206  -9.799 -16.709 -16.709
 1113    HA   THR 206           HA       THR 206  -8.685 -17.797 -17.797
 1114    HB   THR 206           HB       THR 206  -8.626 -15.476 -15.476
 1115    HG1  THR 206          1HG       THR 206  -9.675 -15.722 -15.722
 1116   1HG2  THR 206          1HG2      THR 206 -11.218 -15.397 -15.397
 1117   2HG2  THR 206          3HG2      THR 206 -10.677 -14.051 -14.051
 1118   3HG2  THR 206          2HG2      THR 206  -9.699 -14.579 -14.579
 1119    H    ARG 207           H        ARG 207 -11.642 -17.197 -17.197
 1120    HA   ARG 207           HA       ARG 207 -13.152 -18.866 -18.866
 1121   1HB   ARG 207          1HB       ARG 207 -14.316 -17.407 -17.407
 1122   2HB   ARG 207          2HB       ARG 207 -15.122 -17.928 -17.928
 1123   1HG   ARG 207          2HG       ARG 207 -13.501 -16.260 -16.260
 1124   2HG   ARG 207          1HG       ARG 207 -13.351 -15.571 -15.571
 1125   1HD   ARG 207          1HD       ARG 207 -15.788 -15.795 -15.795
 1126   2HD   ARG 207          2HD       ARG 207 -15.084 -14.356 -14.356
 1127    HE   ARG 207           HE       ARG 207 -15.821 -15.972 -15.972
 1128   1HH1  ARG 207          1HH1      ARG 207 -17.417 -14.459 -14.459
 1129   2HH1  ARG 207          2HH1      ARG 207 -18.932 -14.291 -14.291
 1130   1HH2  ARG 207          2HH2      ARG 207 -17.811 -15.754 -15.754
 1131   2HH2  ARG 207          1HH2      ARG 207 -19.156 -15.027 -15.027
 1132    H    ALA 208           H        ALA 208 -15.093 -19.936 -19.936
 1133    HA   ALA 208           HA       ALA 208 -13.799 -22.152 -22.152
 1134   1HB   ALA 208          1HB       ALA 208 -16.064 -22.105 -22.105
 1135   2HB   ALA 208          3HB       ALA 208 -16.704 -21.478 -21.478
 1136   3HB   ALA 208          2HB       ALA 208 -15.936 -23.065 -23.065
 1137    H    ALA 209           H        ALA 209 -15.789 -19.520 -19.520
 1138    HA   ALA 209           HA       ALA 209 -15.808 -18.542 -18.542
 1139   1HB   ALA 209          1HB       ALA 209 -13.243 -18.848 -18.848
 1140   2HB   ALA 209          3HB       ALA 209 -13.412 -20.086 -20.086
 1141   3HB   ALA 209          2HB       ALA 209 -13.866 -18.418 -18.418
 1142    H    ALA 210           H        ALA 210 -17.594 -19.335 -19.335
 1143    HA   ALA 210           HA       ALA 210 -18.860 -20.511 -20.511
 1144   1HB   ALA 210          3HB       ALA 210 -16.784 -20.358 -20.358
 1145   2HB   ALA 210          2HB       ALA 210 -16.345 -21.957 -21.957
 1146   3HB   ALA 210          1HB       ALA 210 -17.819 -21.743 -21.743
 1147   1H    ALA   1          2HT       ALA   1 -13.933  -6.238  -6.238
 1148   2H    ALA   1          1HT       ALA   1 -12.283  -6.566  -6.566
 1149   3H    ALA   1          3HT       ALA   1 -13.268  -5.819  -5.819
 1150    HA   ALA   1           HA       ALA   1 -13.379  -3.852  -3.852
 1151   1HB   ALA   1          3HB       ALA   1 -11.058  -4.719  -4.719
 1152   2HB   ALA   1          2HB       ALA   1 -10.597  -4.545  -4.545
 1153   3HB   ALA   1          1HB       ALA   1 -11.217  -3.156  -3.156
 1154    H    TYR   2           H        TYR   2 -11.264  -5.771  -5.771
 1155    HA   TYR   2           HA       TYR   2 -12.980  -5.451  -5.451
 1156   1HB   TYR   2          1HB       TYR   2 -10.803  -4.227  -4.227
 1157   2HB   TYR   2          2HB       TYR   2 -12.283  -3.418  -3.418
 1158    HD1  TYR   2           HD2      TYR   2  -9.580  -4.734  -4.734
 1159    HD2  TYR   2           HD1      TYR   2 -11.506  -1.296  -1.296
 1160    HE1  TYR   2           HE2      TYR   2  -8.281  -3.300  -3.300
 1161    HE2  TYR   2           HE1      TYR   2 -10.213   0.144   0.144
 1162    HH   TYR   2           HH2      TYR   2  -7.533  -0.987  -0.987
 1163    H    ILE   3           H        ILE   3  -9.465  -5.372  -5.372
 1164    HA   ILE   3           HA       ILE   3  -9.575  -8.152  -8.152
 1165    HB   ILE   3           HB       ILE   3  -7.256  -6.373  -6.373
 1166   1HG1  ILE   3          2HG1      ILE   3  -9.091  -4.954  -4.954
 1167   2HG1  ILE   3          1HG1      ILE   3  -8.440  -5.680  -5.680
 1168   1HG2  ILE   3          3HG2      ILE   3  -8.553  -8.792  -8.792
 1169   2HG2  ILE   3          2HG2      ILE   3  -7.561  -7.753  -7.753
 1170   3HG2  ILE   3          1HG2      ILE   3  -6.860  -8.509  -8.509
 1171   1HD1  ILE   3          2HD1      ILE   3 -10.719  -7.022  -7.022
 1172   2HD1  ILE   3          1HD1      ILE   3 -11.020  -5.547  -5.547
 1173   3HD1  ILE   3          3HD1      ILE   3 -10.298  -6.948  -6.948
 1174    H    GLY   4           H        GLY   4  -7.406  -5.873  -5.873
 1175   1HA   GLY   4          2HA       GLY   4  -5.495  -7.652  -7.652
 1176   2HA   GLY   4          1HA       GLY   4  -5.972  -6.205  -6.205
 1177    HA   PRO   5           HA       PRO   5  -7.678  -8.649  -8.649
 1178   1HB   PRO   5          2HB       PRO   5 -10.107  -6.992  -6.992
 1179   2HB   PRO   5          1HB       PRO   5  -8.821  -7.165  -7.165
 1180   1HG   PRO   5          1HG       PRO   5  -9.116  -4.915  -4.915
 1181   2HG   PRO   5          2HG       PRO   5  -7.513  -5.529  -5.529
 1182   1HD   PRO   5          2HD       PRO   5  -8.963  -5.757  -5.757
 1183   2HD   PRO   5          1HD       PRO   5  -7.256  -5.369  -5.369
 1184   1HN   PTR   6           H        PTR   6  -8.261  -9.963  -9.963
 1185    HA   PTR   6           HA       PTR   6 -10.373 -11.619 -11.619
 1186   1HB   PTR   6          1HB       PTR   6 -11.179  -9.794  -9.794
 1187   2HB   PTR   6          2HB       PTR   6 -11.725  -9.551  -9.551
 1188    HD1  PTR   6           HD1      PTR   6 -11.623 -12.954 -12.954
 1189    HD2  PTR   6           HD2      PTR   6 -13.695  -9.903  -9.903
 1190    HE1  PTR   6           HE1      PTR   6 -13.693 -14.279 -14.279
 1191    HE2  PTR   6           HE2      PTR   6 -15.844 -10.996 -10.996
 1192    H    LEU   7           H        LEU   7  -9.466 -10.186 -10.186
 1193    HA   LEU   7           HA       LEU   7  -8.880 -12.863 -12.863
 1194   1HB   LEU   7          2HB       LEU   7  -8.608 -10.536 -10.536
 1195   2HB   LEU   7          1HB       LEU   7  -9.367 -12.089 -12.089
 1196    HG   LEU   7           HG       LEU   7 -10.589  -9.783  -9.783
 1197   1HD1  LEU   7          2HD1      LEU   7 -11.179 -10.929 -10.929
 1198   2HD1  LEU   7          1HD1      LEU   7 -12.155  -9.713  -9.713
 1199   3HD1  LEU   7          3HD1      LEU   7 -10.497  -9.341  -9.341
 1200   1HD2  LEU   7          1HD2      LEU   7 -11.179 -12.155 -12.155
 1201   2HD2  LEU   7          3HD2      LEU   7 -12.512 -11.082 -11.082
 1202   3HD2  LEU   7          2HD2      LEU   7 -11.969 -12.312 -12.312

  Start of MODEL    2
    1    HA   SER  64           HA       SER  64 -18.054   9.558   9.558
    2   1HB   SER  64          2HB       SER  64 -18.721   7.708   7.708
    3   2HB   SER  64          1HB       SER  64 -20.204   8.118   8.118
    4    HG   SER  64           HG       SER  64 -20.316   7.746   7.746
    5    H    LYS  65           H        LYS  65 -16.590   9.543   9.543
    6    HA   LYS  65           HA       LYS  65 -15.385  10.648  10.648
    7   1HB   LYS  65          2HB       LYS  65 -18.046  10.049  10.049
    8   2HB   LYS  65          1HB       LYS  65 -17.054  11.186  11.186
    9   1HG   LYS  65          2HG       LYS  65 -15.210   9.352   9.352
   10   2HG   LYS  65          1HG       LYS  65 -16.606   8.298   8.298
   11   1HD   LYS  65          2HD       LYS  65 -17.405   9.606   9.606
   12   2HD   LYS  65          1HD       LYS  65 -15.657   9.687   9.687
   13   1HE   LYS  65          2HE       LYS  65 -15.797   7.639   7.639
   14   2HE   LYS  65          1HE       LYS  65 -16.098   7.072   7.072
   15   1HZ   LYS  65          3HZ       LYS  65 -18.196   7.890   7.890
   16   2HZ   LYS  65          2HZ       LYS  65 -17.781   6.292   6.292
   17   3HZ   LYS  65          1HZ       LYS  65 -18.461   7.288   7.288
   18    HA   PRO  66           HA       PRO  66 -16.928  14.835  14.835
   19   1HB   PRO  66          1HB       PRO  66 -14.338  15.663  15.663
   20   2HB   PRO  66          2HB       PRO  66 -15.450  14.984  14.984
   21   1HG   PRO  66          1HG       PRO  66 -13.259  13.644  13.644
   22   2HG   PRO  66          2HG       PRO  66 -13.732  13.436  13.436
   23   1HD   PRO  66          2HD       PRO  66 -14.419  11.636  11.636
   24   2HD   PRO  66          1HD       PRO  66 -15.534  12.068  12.068
   25    H    HIS  67           H        HIS  67 -13.631  14.889  14.889
   26    HA   HIS  67           HA       HIS  67 -14.487  15.802  15.802
   27   1HB   HIS  67          2HB       HIS  67 -14.141  17.740  17.740
   28   2HB   HIS  67          1HB       HIS  67 -12.586  17.724  17.724
   29    HD1  HIS  67           HD1      HIS  67 -15.673  19.429  19.429
   30    HD2  HIS  67           HD2      HIS  67 -13.134  17.751  17.751
   31    HE1  HIS  67           HE1      HIS  67 -16.241  20.530  20.530
   32    H    GLN  68           H        GLN  68 -11.541  16.200  16.200
   33    HA   GLN  68           HA       GLN  68  -9.752  15.513  15.513
   34   1HB   GLN  68          2HB       GLN  68  -9.622  15.730  15.730
   35   2HB   GLN  68          1HB       GLN  68  -8.347  14.802  14.802
   36   1HG   GLN  68          1HG       GLN  68  -7.346  16.629  16.629
   37   2HG   GLN  68          2HG       GLN  68  -8.869  17.348  17.348
   38   1HE2  GLN  68          2HE2      GLN  68  -7.149  19.219  19.219
   39   2HE2  GLN  68          1HE2      GLN  68  -6.511  18.475  18.475
   40    H    TRP  69           H        TRP  69 -11.746  13.555  13.555
   41    HA   TRP  69           HA       TRP  69 -10.308  11.132  11.132
   42   1HB   TRP  69          1HB       TRP  69 -12.871  12.035  12.035
   43   2HB   TRP  69          2HB       TRP  69 -13.036  10.486  10.486
   44    HD1  TRP  69           HD1      TRP  69  -9.964  11.501  11.501
   45    HE1  TRP  69           HE1      TRP  69  -9.752   9.855   9.855
   46    HE3  TRP  69           HE3      TRP  69 -14.278   8.844   8.844
   47    HZ2  TRP  69          2HZ       TRP  69 -11.218   7.714   7.714
   48    HZ3  TRP  69           HZ3      TRP  69 -14.798   7.013   7.013
   49    HH2  TRP  69           HH2      TRP  69 -13.299   6.462   6.462
   50    H    GLN  70           H        GLN  70 -12.491  12.741  12.741
   51    HA   GLN  70           HA       GLN  70 -13.179  10.540  10.540
   52   1HB   GLN  70          1HB       GLN  70 -14.016  12.103  12.103
   53   2HB   GLN  70          2HB       GLN  70 -14.208  12.880  12.880
   54   1HG   GLN  70          1HG       GLN  70 -11.834  13.877  13.877
   55   2HG   GLN  70          2HG       GLN  70 -12.417  13.569  13.569
   56   1HE2  GLN  70          1HE2      GLN  70 -14.099  16.569  16.569
   57   2HE2  GLN  70          2HE2      GLN  70 -13.092  15.406  15.406
   58    H    ALA  71           H        ALA  71 -10.396  12.663  12.663
   59    HA   ALA  71           HA       ALA  71  -9.303  11.645  11.645
   60   1HB   ALA  71          2HB       ALA  71  -8.361  13.570  13.570
   61   2HB   ALA  71          1HB       ALA  71  -7.240  12.944  12.944
   62   3HB   ALA  71          3HB       ALA  71  -8.671  13.841  13.841
   63    H    ASP  72           H        ASP  72  -8.419  11.415  11.415
   64    HA   ASP  72           HA       ASP  72  -6.251   9.687   9.687
   65   1HB   ASP  72          2HB       ASP  72  -8.162   9.979   9.979
   66   2HB   ASP  72          1HB       ASP  72  -6.631   9.109   9.109
   67    H    GLU  73           H        GLU  73  -9.689   8.988   8.988
   68    HA   GLU  73           HA       GLU  73  -9.603   6.255   6.255
   69   1HB   GLU  73          2HB       GLU  73 -11.640   7.761   7.761
   70   2HB   GLU  73          1HB       GLU  73 -11.649   7.656   7.656
   71   1HG   GLU  73          1HG       GLU  73 -11.505   5.021   5.021
   72   2HG   GLU  73          2HG       GLU  73 -12.631   5.790   5.790
   73    H    GLU  74           H        GLU  74  -9.310   8.103   8.103
   74    HA   GLU  74           HA       GLU  74  -9.222   5.711   5.711
   75   1HB   GLU  74          1HB       GLU  74  -8.882   8.642   8.642
   76   2HB   GLU  74          2HB       GLU  74  -8.788   7.357   7.357
   77   1HG   GLU  74          2HG       GLU  74 -11.095   6.705   6.705
   78   2HG   GLU  74          1HG       GLU  74 -11.180   8.053   8.053
   79    H    ALA  75           H        ALA  75  -7.017   7.979   7.979
   80    HA   ALA  75           HA       ALA  75  -4.717   7.570   7.570
   81   1HB   ALA  75          1HB       ALA  75  -5.265   8.352   8.352
   82   2HB   ALA  75          3HB       ALA  75  -3.618   7.870   7.870
   83   3HB   ALA  75          2HB       ALA  75  -4.382   9.206   9.206
   84    H    VAL  76           H        VAL  76  -5.651   5.828   5.828
   85    HA   VAL  76           HA       VAL  76  -3.643   3.974   3.974
   86    HB   VAL  76           HB       VAL  76  -5.514   2.422   2.422
   87   1HG1  VAL  76          2HG2      VAL  76  -3.764   3.797   3.797
   88   2HG1  VAL  76          1HG2      VAL  76  -5.041   4.989   4.989
   89   3HG1  VAL  76          3HG2      VAL  76  -5.215   3.361   3.361
   90   1HG2  VAL  76          1HG1      VAL  76  -7.209   4.173   4.173
   91   2HG2  VAL  76          3HG1      VAL  76  -7.593   3.229   3.229
   92   3HG2  VAL  76          2HG1      VAL  76  -7.039   4.893   4.893
   93    H    ARG  77           H        ARG  77  -6.572   3.917   3.917
   94    HA   ARG  77           HA       ARG  77  -6.422   1.305   1.305
   95   1HB   ARG  77          1HB       ARG  77  -8.140   3.342   3.342
   96   2HB   ARG  77          2HB       ARG  77  -7.254   3.421   3.421
   97   1HG   ARG  77          1HG       ARG  77  -8.919   1.995   1.995
   98   2HG   ARG  77          2HG       ARG  77  -7.732   0.828   0.828
   99   1HD   ARG  77          2HD       ARG  77  -9.302   0.064   0.064
  100   2HD   ARG  77          1HD       ARG  77  -9.147   1.576   1.576
  101    HE   ARG  77           HE       ARG  77 -11.199   2.184   2.184
  102   1HH1  ARG  77          1HH1      ARG  77  -9.914  -0.302  -0.302
  103   2HH1  ARG  77          2HH1      ARG  77 -11.358  -0.442  -0.442
  104   1HH2  ARG  77          1HH2      ARG  77 -13.107   2.007   2.007
  105   2HH2  ARG  77          2HH2      ARG  77 -13.174   0.870   0.870
  106    H    SER  78           H        SER  78  -5.047   4.295   4.295
  107    HA   SER  78           HA       SER  78  -3.500   2.734   2.734
  108   1HB   SER  78          1HB       SER  78  -4.759   5.105   5.105
  109   2HB   SER  78          2HB       SER  78  -3.149   5.675   5.675
  110    HG   SER  78           HG       SER  78  -2.329   4.812   4.812
  111    H    ALA  79           H        ALA  79  -3.005   2.890   2.890
  112    HA   ALA  79           HA       ALA  79  -1.265   3.087   3.087
  113   1HB   ALA  79          3HB       ALA  79   0.138   2.338   2.338
  114   2HB   ALA  79          2HB       ALA  79   0.967   2.440   2.440
  115   3HB   ALA  79          1HB       ALA  79  -0.349   1.287   1.287
  116    H    THR  80           H        THR  80  -1.439   5.278   5.278
  117    HA   THR  80           HA       THR  80   0.830   6.850   6.850
  118    HB   THR  80           HB       THR  80   0.218   7.244   7.244
  119    HG1  THR  80          1HG       THR  80   0.720   9.205   9.205
  120   1HG2  THR  80          1HG2      THR  80  -2.508   7.092   7.092
  121   2HG2  THR  80          3HG2      THR  80  -2.242   8.434   8.434
  122   3HG2  THR  80          2HG2      THR  80  -1.857   6.785   6.785
  123    H    CYS  81           H        CYS  81  -0.667   6.138   6.138
  124    HA   CYS  81           HA       CYS  81  -1.967   8.661   8.661
  125   1HB   CYS  81          2HB       CYS  81  -2.748   5.904   5.904
  126   2HB   CYS  81          1HB       CYS  81  -2.563   6.683   6.683
  127    HG   CYS  81           HG       CYS  81  -4.445   8.294   8.294
  128    H    SER  82           H        SER  82  -1.707   9.261   9.261
  129    HA   SER  82           HA       SER  82   0.340   8.171   8.171
  130   1HB   SER  82          1HB       SER  82   1.789   9.142   9.142
  131   2HB   SER  82          2HB       SER  82   1.085  10.728  10.728
  132    HG   SER  82           HG       SER  82   2.346   9.197   9.197
  133    H    PHE  83           H        PHE  83   0.615   9.305   9.305
  134    HA   PHE  83           HA       PHE  83  -0.859  11.723  11.723
  135   1HB   PHE  83          1HB       PHE  83  -1.807   9.125   9.125
  136   2HB   PHE  83          2HB       PHE  83  -2.374  10.726  10.726
  137    HD1  PHE  83           HD1      PHE  83  -2.463   8.126   8.126
  138    HD2  PHE  83           HD2      PHE  83  -3.886  11.967  11.967
  139    HE1  PHE  83           HE1      PHE  83  -4.206   7.997   7.997
  140    HE2  PHE  83           HE2      PHE  83  -5.632  11.845  11.845
  141    HZ   PHE  83           HZ       PHE  83  -5.792   9.858   9.858
  142    H    SER  84           H        SER  84  -0.187  12.751  12.751
  143    HA   SER  84           HA       SER  84   2.266  12.037  12.037
  144   1HB   SER  84          2HB       SER  84   0.831  14.302  14.302
  145   2HB   SER  84          1HB       SER  84   0.410  13.713  13.713
  146    HG   SER  84           HG       SER  84   2.629  14.938  14.938
  147    H    VAL  85           H        VAL  85   2.786  11.242  11.242
  148    HA   VAL  85           HA       VAL  85   0.636  10.045  10.045
  149    HB   VAL  85           HB       VAL  85   2.831   8.153   8.153
  150   1HG1  VAL  85          2HG1      VAL  85   0.057   8.100   8.100
  151   2HG1  VAL  85          1HG1      VAL  85   0.531   6.759   6.759
  152   3HG1  VAL  85          3HG1      VAL  85   1.437   7.091   7.091
  153   1HG2  VAL  85          2HG2      VAL  85   0.650   8.853   8.853
  154   2HG2  VAL  85          1HG2      VAL  85   2.391   8.787   8.787
  155   3HG2  VAL  85          3HG2      VAL  85   1.482   7.298   7.298
  156    H    LYS  86           H        LYS  86   1.560   8.794   8.794
  157    HA   LYS  86           HA       LYS  86   4.044  10.018  10.018
  158   1HB   LYS  86          2HB       LYS  86   1.345   9.880   9.880
  159   2HB   LYS  86          1HB       LYS  86   2.756   9.732   9.732
  160   1HG   LYS  86          1HG       LYS  86   3.357  11.910  11.910
  161   2HG   LYS  86          2HG       LYS  86   1.622  12.072  12.072
  162   1HD   LYS  86          2HD       LYS  86   2.793  11.317  11.317
  163   2HD   LYS  86          1HD       LYS  86   3.798  12.602  12.602
  164   1HE   LYS  86          1HE       LYS  86   0.818  12.870  12.870
  165   2HE   LYS  86          2HE       LYS  86   1.778  13.228  13.228
  166   1HZ   LYS  86          1HZ       LYS  86   3.041  14.836  14.836
  167   2HZ   LYS  86          3HZ       LYS  86   2.077  14.512  14.512
  168   3HZ   LYS  86          2HZ       LYS  86   1.394  15.220  15.220
  169    H    TYR  87           H        TYR  87   3.855   7.543   7.543
  170    HA   TYR  87           HA       TYR  87   3.392   5.266   5.266
  171   1HB   TYR  87          1HB       TYR  87   4.147   5.183   5.183
  172   2HB   TYR  87          2HB       TYR  87   5.705   5.869   5.869
  173    HD1  TYR  87           HD2      TYR  87   4.004   3.247   3.247
  174    HD2  TYR  87           HD1      TYR  87   7.054   4.110   4.110
  175    HE1  TYR  87           HE2      TYR  87   4.909   0.981   0.981
  176    HE2  TYR  87           HE1      TYR  87   7.969   1.846   1.846
  177    HH   TYR  87           HH2      TYR  87   6.292  -0.599  -0.599
  178    H    LEU  88           H        LEU  88   4.043   4.416   4.416
  179    HA   LEU  88           HA       LEU  88   6.010   5.639   5.639
  180   1HB   LEU  88          1HB       LEU  88   4.487   3.048   3.048
  181   2HB   LEU  88          2HB       LEU  88   5.651   3.535   3.535
  182    HG   LEU  88           HG       LEU  88   4.289   5.173   5.173
  183   1HD1  LEU  88          3HD2      LEU  88   4.045   6.385   6.385
  184   2HD1  LEU  88          2HD2      LEU  88   2.700   5.315   5.315
  185   3HD1  LEU  88          1HD2      LEU  88   2.588   6.393   6.393
  186   1HD2  LEU  88          3HD1      LEU  88   2.871   2.788   2.788
  187   2HD2  LEU  88          2HD1      LEU  88   2.848   3.627   3.627
  188   3HD2  LEU  88          1HD1      LEU  88   1.794   4.165   4.165
  189    H    GLY  89           H        GLY  89   5.932   2.354   2.354
  190   1HA   GLY  89          2HA       GLY  89   8.344   2.224   2.224
  191   2HA   GLY  89          1HA       GLY  89   8.765   2.020   2.020
  192    H    CYS  90           H        CYS  90   9.571  -0.086  -0.086
  193    HA   CYS  90           HA       CYS  90   7.415  -2.048  -2.048
  194   1HB   CYS  90          2HB       CYS  90  10.310  -2.657  -2.657
  195   2HB   CYS  90          1HB       CYS  90   8.880  -3.407  -3.407
  196    HG   CYS  90           HG       CYS  90  10.408  -1.198  -1.198
  197    H    VAL  91           H        VAL  91   7.348  -3.914  -3.914
  198    HA   VAL  91           HA       VAL  91   9.201  -4.060  -4.060
  199    HB   VAL  91           HB       VAL  91   7.169  -4.838  -4.838
  200   1HG1  VAL  91          1HG1      VAL  91   7.863  -2.045  -2.045
  201   2HG1  VAL  91          3HG1      VAL  91   6.478  -2.320  -2.320
  202   3HG1  VAL  91          2HG1      VAL  91   8.081  -2.878  -2.878
  203   1HG2  VAL  91          3HG2      VAL  91   5.840  -3.513  -3.513
  204   2HG2  VAL  91          2HG2      VAL  91   5.504  -5.093  -5.093
  205   3HG2  VAL  91          1HG2      VAL  91   5.063  -3.626  -3.626
  206    H    GLU  92           H        GLU  92   9.882  -6.070  -6.070
  207    HA   GLU  92           HA       GLU  92   9.318  -8.211  -8.211
  208   1HB   GLU  92          2HB       GLU  92  10.684  -8.623  -8.623
  209   2HB   GLU  92          1HB       GLU  92  11.013  -9.383  -9.383
  210   1HG   GLU  92          2HG       GLU  92  12.675  -7.959  -7.959
  211   2HG   GLU  92          1HG       GLU  92  11.491  -6.655  -6.655
  212    H    VAL  93           H        VAL  93   7.664  -9.574  -9.574
  213    HA   VAL  93           HA       VAL  93   6.407 -10.093 -10.093
  214    HB   VAL  93           HB       VAL  93   4.289 -10.536 -10.536
  215   1HG1  VAL  93          2HG1      VAL  93   5.547  -7.877  -7.877
  216   2HG1  VAL  93          1HG1      VAL  93   4.016  -7.947  -7.947
  217   3HG1  VAL  93          3HG1      VAL  93   4.129  -8.588  -8.588
  218   1HG2  VAL  93          3HG2      VAL  93   5.582 -10.666 -10.666
  219   2HG2  VAL  93          2HG2      VAL  93   4.041  -9.808  -9.808
  220   3HG2  VAL  93          1HG2      VAL  93   5.553  -8.902  -8.902
  221    H    PHE  94           H        PHE  94   4.934 -12.166 -12.166
  222    HA   PHE  94           HA       PHE  94   6.746 -14.279 -14.279
  223   1HB   PHE  94          2HB       PHE  94   4.367 -14.194 -14.194
  224   2HB   PHE  94          1HB       PHE  94   4.999 -15.726 -15.726
  225    HD1  PHE  94           HD1      PHE  94   6.544 -12.584 -12.584
  226    HD2  PHE  94           HD2      PHE  94   6.232 -16.818 -16.818
  227    HE1  PHE  94           HE1      PHE  94   8.227 -12.582 -12.582
  228    HE2  PHE  94           HE2      PHE  94   7.914 -16.824 -16.824
  229    HZ   PHE  94           HZ       PHE  94   8.914 -14.705 -14.705
  230    H    GLU  95           H        GLU  95   3.756 -12.804 -12.804
  231    HA   GLU  95           HA       GLU  95   3.357 -14.893 -14.893
  232   1HB   GLU  95          1HB       GLU  95   1.272 -13.300 -13.300
  233   2HB   GLU  95          2HB       GLU  95   0.921 -14.306 -14.306
  234   1HG   GLU  95          1HG       GLU  95   0.418 -15.777 -15.777
  235   2HG   GLU  95          2HG       GLU  95   2.133 -16.139 -16.139
  236    H    SER  96           H        SER  96   2.525 -14.195 -14.195
  237    HA   SER  96           HA       SER  96   2.705 -11.307 -11.307
  238   1HB   SER  96          1HB       SER  96   3.952 -11.711 -11.711
  239   2HB   SER  96          2HB       SER  96   4.841 -12.346 -12.346
  240    HG   SER  96           HG       SER  96   4.178 -14.411 -14.411
  241    H    ARG  97           H        ARG  97   0.510 -13.386 -13.386
  242    HA   ARG  97           HA       ARG  97  -0.943 -12.533 -12.533
  243   1HB   ARG  97          2HB       ARG  97  -1.120 -15.436 -15.436
  244   2HB   ARG  97          1HB       ARG  97  -1.485 -14.641 -14.641
  245   1HG   ARG  97          1HG       ARG  97   0.456 -15.776 -15.776
  246   2HG   ARG  97          2HG       ARG  97   1.060 -14.167 -14.167
  247   1HD   ARG  97          2HD       ARG  97   2.443 -15.260 -15.260
  248   2HD   ARG  97          1HD       ARG  97   1.035 -15.377 -15.377
  249    HE   ARG  97           HE       ARG  97   1.187 -17.530 -17.530
  250   1HH1  ARG  97          1HH1      ARG  97   2.371 -16.360 -16.360
  251   2HH1  ARG  97          2HH1      ARG  97   2.728 -17.939 -17.939
  252   1HH2  ARG  97          1HH2      ARG  97   1.654 -19.616 -19.616
  253   2HH2  ARG  97          2HH2      ARG  97   2.320 -19.790 -19.790
  254    H    GLY  98           H        GLY  98  -0.979 -12.140 -12.140
  255   1HA   GLY  98          1HA       GLY  98  -3.750 -13.055 -13.055
  256   2HA   GLY  98          2HA       GLY  98  -2.555 -12.884 -12.884
  257    H    MET  99           H        MET  99  -5.269 -11.580 -11.580
  258    HA   MET  99           HA       MET  99  -4.754  -8.828  -8.828
  259   1HB   MET  99          2HB       MET  99  -6.935 -10.135 -10.135
  260   2HB   MET  99          1HB       MET  99  -7.222  -9.936  -9.936
  261   1HG   MET  99          1HG       MET  99  -6.552  -7.503  -7.503
  262   2HG   MET  99          2HG       MET  99  -8.129  -8.233  -8.233
  263   1HE   MET  99          2HE       MET  99  -6.014  -6.081  -6.081
  264   2HE   MET  99          1HE       MET  99  -7.423  -5.056  -5.056
  265   3HE   MET  99          3HE       MET  99  -6.596  -5.783  -5.783
  266    H    GLN 100           H        GLN 100  -5.672 -10.684 -10.684
  267    HA   GLN 100           HA       GLN 100  -5.702  -8.644  -8.644
  268   1HB   GLN 100          1HB       GLN 100  -4.867 -11.530 -11.530
  269   2HB   GLN 100          2HB       GLN 100  -4.981 -10.449 -10.449
  270   1HG   GLN 100          1HG       GLN 100  -7.116 -10.989 -10.989
  271   2HG   GLN 100          2HG       GLN 100  -7.398 -10.160 -10.160
  272   1HE2  GLN 100          1HE2      GLN 100  -7.626 -14.171 -14.171
  273   2HE2  GLN 100          2HE2      GLN 100  -7.240 -13.163 -13.163
  274    H    VAL 101           H        VAL 101  -2.988 -10.122 -10.122
  275    HA   VAL 101           HA       VAL 101  -0.961  -9.382  -9.382
  276    HB   VAL 101           HB       VAL 101  -0.709  -9.744  -9.744
  277   1HG1  VAL 101          3HG1      VAL 101   1.277  -9.621  -9.621
  278   2HG1  VAL 101          2HG1      VAL 101   1.641 -10.468 -10.468
  279   3HG1  VAL 101          1HG1      VAL 101   1.275  -8.743  -8.743
  280   1HG2  VAL 101          3HG2      VAL 101  -1.756 -11.655 -11.655
  281   2HG2  VAL 101          2HG2      VAL 101  -0.303 -12.039 -12.039
  282   3HG2  VAL 101          1HG2      VAL 101  -0.206 -11.820 -11.820
  283    H    CYS 102           H        CYS 102  -2.558  -7.674  -7.674
  284    HA   CYS 102           HA       CYS 102  -0.695  -5.515  -5.515
  285   1HB   CYS 102          2HB       CYS 102  -3.576  -5.597  -5.597
  286   2HB   CYS 102          1HB       CYS 102  -2.364  -4.411  -4.411
  287    HG   CYS 102           HG       CYS 102  -2.530  -7.310  -7.310
  288    H    GLU 103           H        GLU 103  -3.790  -6.044  -6.044
  289    HA   GLU 103           HA       GLU 103  -4.163  -3.457  -3.457
  290   1HB   GLU 103          2HB       GLU 103  -5.234  -6.126  -6.126
  291   2HB   GLU 103          1HB       GLU 103  -5.181  -5.128  -5.128
  292   1HG   GLU 103          1HG       GLU 103  -6.504  -3.426  -3.426
  293   2HG   GLU 103          2HG       GLU 103  -6.456  -4.297  -4.297
  294    H    GLU 104           H        GLU 104  -2.179  -6.119  -6.119
  295    HA   GLU 104           HA       GLU 104  -1.448  -4.732  -4.732
  296   1HB   GLU 104          1HB       GLU 104  -0.221  -6.697  -6.697
  297   2HB   GLU 104          2HB       GLU 104  -1.748  -7.230  -7.230
  298   1HG   GLU 104          1HG       GLU 104  -0.684  -7.772  -7.772
  299   2HG   GLU 104          2HG       GLU 104   0.843  -7.091  -7.091
  300    H    ALA 105           H        ALA 105  -0.019  -5.628  -5.628
  301    HA   ALA 105           HA       ALA 105   2.606  -4.795  -4.795
  302   1HB   ALA 105          3HB       ALA 105   1.866  -6.085  -6.085
  303   2HB   ALA 105          2HB       ALA 105   1.088  -4.632  -4.632
  304   3HB   ALA 105          1HB       ALA 105   2.840  -4.679  -4.679
  305    H    LEU 106           H        LEU 106   0.005  -2.987  -2.987
  306    HA   LEU 106           HA       LEU 106   1.206  -0.559  -0.559
  307   1HB   LEU 106          1HB       LEU 106  -1.013  -1.040  -1.040
  308   2HB   LEU 106          2HB       LEU 106  -1.644  -1.158  -1.158
  309    HG   LEU 106           HG       LEU 106  -2.152   0.971   0.971
  310   1HD1  LEU 106          2HD2      LEU 106  -2.001   0.465   0.465
  311   2HD1  LEU 106          1HD2      LEU 106  -0.871   1.814   1.814
  312   3HD1  LEU 106          3HD2      LEU 106  -2.537   2.001   2.001
  313   1HD2  LEU 106          1HD1      LEU 106   0.103   1.320   1.320
  314   2HD2  LEU 106          3HD1      LEU 106  -0.451   2.706   2.706
  315   3HD2  LEU 106          2HD1      LEU 106   0.703   1.571   1.571
  316    H    LYS 107           H        LYS 107  -0.296  -1.818  -1.818
  317    HA   LYS 107           HA       LYS 107  -0.058   0.524   0.524
  318   1HB   LYS 107          2HB       LYS 107  -1.535  -1.184  -1.184
  319   2HB   LYS 107          1HB       LYS 107  -0.269  -2.402  -2.402
  320   1HG   LYS 107          2HG       LYS 107  -0.044  -0.051  -0.051
  321   2HG   LYS 107          1HG       LYS 107  -1.013  -1.456  -1.456
  322   1HD   LYS 107          2HD       LYS 107   1.533  -2.326  -2.326
  323   2HD   LYS 107          1HD       LYS 107   1.772  -1.115  -1.115
  324   1HE   LYS 107          1HE       LYS 107   0.015  -2.496  -2.496
  325   2HE   LYS 107          2HE       LYS 107   0.418  -3.776  -3.776
  326   1HZ   LYS 107          2HZ       LYS 107   2.847  -2.941  -2.941
  327   2HZ   LYS 107          1HZ       LYS 107   1.962  -2.719  -2.719
  328   3HZ   LYS 107          3HZ       LYS 107   2.020  -4.243  -4.243
  329    H    VAL 108           H        VAL 108   2.042  -2.299  -2.299
  330    HA   VAL 108           HA       VAL 108   3.974  -1.533  -1.533
  331    HB   VAL 108           HB       VAL 108   4.768  -3.118  -3.118
  332   1HG1  VAL 108          3HG1      VAL 108   5.425  -3.137  -3.137
  333   2HG1  VAL 108          2HG1      VAL 108   5.897  -4.446  -4.446
  334   3HG1  VAL 108          1HG1      VAL 108   6.498  -2.810  -2.810
  335   1HG2  VAL 108          3HG2      VAL 108   2.574  -3.769  -3.769
  336   2HG2  VAL 108          2HG2      VAL 108   3.007  -4.477  -4.477
  337   3HG2  VAL 108          1HG2      VAL 108   3.814  -5.021  -5.021
  338    H    LEU 109           H        LEU 109   3.486  -0.664  -0.664
  339    HA   LEU 109           HA       LEU 109   6.020   0.382   0.382
  340   1HB   LEU 109          1HB       LEU 109   3.260   0.833   0.833
  341   2HB   LEU 109          2HB       LEU 109   4.503   1.986   1.986
  342    HG   LEU 109           HG       LEU 109   4.351   0.373   0.373
  343   1HD1  LEU 109          1HD2      LEU 109   6.634   1.087   1.087
  344   2HD1  LEU 109          3HD2      LEU 109   6.730  -0.462  -0.462
  345   3HD1  LEU 109          2HD2      LEU 109   6.577  -0.420  -0.420
  346   1HD2  LEU 109          3HD1      LEU 109   3.223  -1.395  -1.395
  347   2HD2  LEU 109          2HD1      LEU 109   4.632  -2.019  -2.019
  348   3HD2  LEU 109          1HD1      LEU 109   4.712  -1.736  -1.736
  349    H    ARG 110           H        ARG 110   3.478   1.547   1.547
  350    HA   ARG 110           HA       ARG 110   4.588   4.239   4.239
  351   1HB   ARG 110          2HB       ARG 110   2.084   3.707   3.707
  352   2HB   ARG 110          1HB       ARG 110   2.275   3.164   3.164
  353   1HG   ARG 110          2HG       ARG 110   1.768   5.275   5.275
  354   2HG   ARG 110          1HG       ARG 110   3.446   5.615   5.615
  355   1HD   ARG 110          2HD       ARG 110   2.182   5.682   5.682
  356   2HD   ARG 110          1HD       ARG 110   0.974   6.378   6.378
  357    HE   ARG 110           HE       ARG 110   3.528   7.526   7.526
  358   1HH1  ARG 110          2HH2      ARG 110   0.839   7.559   7.559
  359   2HH1  ARG 110          1HH2      ARG 110   1.128   9.182   9.182
  360   1HH2  ARG 110          1HH1      ARG 110   2.878  10.379  10.379
  361   2HH2  ARG 110          2HH1      ARG 110   3.917   9.665   9.665
  362    H    GLN 111           H        GLN 111   4.246   1.344   1.344
  363    HA   GLN 111           HA       GLN 111   5.264   2.510   2.510
  364   1HB   GLN 111          1HB       GLN 111   4.499  -0.195  -0.195
  365   2HB   GLN 111          2HB       GLN 111   5.685  -0.137  -0.137
  366   1HG   GLN 111          1HG       GLN 111   3.129   1.410   1.410
  367   2HG   GLN 111          2HG       GLN 111   3.202  -0.295  -0.295
  368   1HE2  GLN 111          1HE2      GLN 111   4.238  -0.910  -0.910
  369   2HE2  GLN 111          2HE2      GLN 111   4.791   0.214   0.214
  370    H    SER 112           H        SER 112   6.714   1.230   1.230
  371    HA   SER 112           HA       SER 112   9.306   0.926   0.926
  372   1HB   SER 112          1HB       SER 112   8.037  -0.472  -0.472
  373   2HB   SER 112          2HB       SER 112   9.380   0.387   0.387
  374    HG   SER 112           HG       SER 112  10.604  -0.509  -0.509
  375    H    ARG 113           H        ARG 113  11.219   1.678   1.678
  376    HA   ARG 113           HA       ARG 113  11.232   4.447   4.447
  377   1HB   ARG 113          2HB       ARG 113  13.380   4.292   4.292
  378   2HB   ARG 113          1HB       ARG 113  13.221   2.844   2.844
  379   1HG   ARG 113          2HG       ARG 113  12.773   2.938   2.938
  380   2HG   ARG 113          1HG       ARG 113  14.283   2.455   2.455
  381   1HD   ARG 113          1HD       ARG 113  11.617   1.118   1.118
  382   2HD   ARG 113          2HD       ARG 113  12.861   0.540   0.540
  383    HE   ARG 113           HE       ARG 113  13.738   0.897   0.897
  384   1HH1  ARG 113          1HH1      ARG 113  12.376  -1.294  -1.294
  385   2HH1  ARG 113          2HH1      ARG 113  12.878  -2.717  -2.717
  386   1HH2  ARG 113          1HH2      ARG 113  14.402  -0.973  -0.973
  387   2HH2  ARG 113          2HH2      ARG 113  14.029  -2.534  -2.534
  388    H    ARG 114           H        ARG 114  10.033   2.158   2.158
  389    HA   ARG 114           HA       ARG 114  10.205   3.363   3.363
  390   1HB   ARG 114          2HB       ARG 114   7.937   1.854   1.854
  391   2HB   ARG 114          1HB       ARG 114   7.853   2.402   2.402
  392   1HG   ARG 114          2HG       ARG 114   9.908   0.532   0.532
  393   2HG   ARG 114          1HG       ARG 114   8.562   0.089   0.089
  394   1HD   ARG 114          1HD       ARG 114   9.947   0.377   0.377
  395   2HD   ARG 114          2HD       ARG 114   9.857   2.106   2.106
  396    HE   ARG 114           HE       ARG 114  12.008   2.027   2.027
  397   1HH1  ARG 114          1HH1      ARG 114  10.717  -1.207  -1.207
  398   2HH1  ARG 114          2HH1      ARG 114  12.229  -1.952  -1.952
  399   1HH2  ARG 114          1HH2      ARG 114  14.003   1.057   1.057
  400   2HH2  ARG 114          2HH2      ARG 114  14.097  -0.665  -0.665
  401    H    ARG 115           H        ARG 115  10.188   5.600   5.600
  402    HA   ARG 115           HA       ARG 115   7.795   6.947   6.947
  403   1HB   ARG 115          2HB       ARG 115  10.468   7.616   7.616
  404   2HB   ARG 115          1HB       ARG 115   9.857   8.622   8.622
  405   1HG   ARG 115          1HG       ARG 115   8.989  10.039  10.039
  406   2HG   ARG 115          2HG       ARG 115   8.031   8.746   8.746
  407   1HD   ARG 115          1HD       ARG 115  10.291   8.131   8.131
  408   2HD   ARG 115          2HD       ARG 115  10.704   9.805   9.805
  409    HE   ARG 115           HE       ARG 115   8.805   8.868   8.868
  410   1HH1  ARG 115          1HH1      ARG 115   9.828  11.546  11.546
  411   2HH1  ARG 115          2HH1      ARG 115   9.105  12.744  12.744
  412   1HH2  ARG 115          1HH2      ARG 115   7.847  10.437  10.437
  413   2HH2  ARG 115          2HH2      ARG 115   7.979  12.113  12.113
  414    HA   PRO 116           HA       PRO 116   5.743   7.531   7.531
  415   1HB   PRO 116          2HB       PRO 116   5.600  10.416  10.416
  416   2HB   PRO 116          1HB       PRO 116   4.308   9.308   9.308
  417   1HG   PRO 116          1HG       PRO 116   4.616  10.026  10.026
  418   2HG   PRO 116          2HG       PRO 116   4.173   8.362   8.362
  419   1HD   PRO 116          2HD       PRO 116   6.808   9.460   9.460
  420   2HD   PRO 116          1HD       PRO 116   6.056   7.895   7.895
  421    H    VAL 117           H        VAL 117   5.850   8.746   8.746
  422    HA   VAL 117           HA       VAL 117   8.361  10.203  10.203
  423    HB   VAL 117           HB       VAL 117   8.681   7.797   7.797
  424   1HG1  VAL 117          2HG2      VAL 117   6.227   7.786   7.786
  425   2HG1  VAL 117          1HG2      VAL 117   7.059   8.261   8.261
  426   3HG1  VAL 117          3HG2      VAL 117   7.486   6.751   6.751
  427   1HG2  VAL 117          3HG1      VAL 117   8.914   9.953   9.953
  428   2HG2  VAL 117          2HG1      VAL 117  10.150   9.383   9.383
  429   3HG2  VAL 117          1HG1      VAL 117   9.611   8.346   8.346
  430    H    ARG 118           H        ARG 118   7.925  12.091  12.091
  431    HA   ARG 118           HA       ARG 118   5.402  12.539  12.539
  432   1HB   ARG 118          1HB       ARG 118   7.141  14.157  14.157
  433   2HB   ARG 118          2HB       ARG 118   7.411  14.649  14.649
  434   1HG   ARG 118          2HG       ARG 118   4.880  14.843  14.843
  435   2HG   ARG 118          1HG       ARG 118   4.869  14.745  14.745
  436   1HD   ARG 118          1HD       ARG 118   4.941  17.021  17.021
  437   2HD   ARG 118          2HD       ARG 118   6.651  16.632  16.632
  438    HE   ARG 118           HE       ARG 118   5.765  16.572  16.572
  439   1HH1  ARG 118          1HH1      ARG 118   6.888  18.624  18.624
  440   2HH1  ARG 118          2HH1      ARG 118   7.498  19.847  19.847
  441   1HH2  ARG 118          1HH2      ARG 118   6.564  18.178  18.178
  442   2HH2  ARG 118          2HH2      ARG 118   7.313  19.594  19.594
  443    H    GLY 119           H        GLY 119   5.344  11.469  11.469
  444   1HA   GLY 119          2HA       GLY 119   7.060  12.557  12.557
  445   2HA   GLY 119          1HA       GLY 119   7.252  10.837  10.837
  446    H    LEU 120           H        LEU 120   6.613  10.864  10.864
  447    HA   LEU 120           HA       LEU 120   3.690  10.987  10.987
  448   1HB   LEU 120          2HB       LEU 120   5.811  11.962  11.962
  449   2HB   LEU 120          1HB       LEU 120   5.032  10.672  10.672
  450    HG   LEU 120           HG       LEU 120   3.867  13.279  13.279
  451   1HD1  LEU 120          1HD1      LEU 120   4.990  12.592  12.592
  452   2HD1  LEU 120          3HD1      LEU 120   3.321  12.119  12.119
  453   3HD1  LEU 120          2HD1      LEU 120   3.694  13.779  13.779
  454   1HD2  LEU 120          2HD2      LEU 120   2.509  10.725  10.725
  455   2HD2  LEU 120          1HD2      LEU 120   1.937  12.287  12.287
  456   3HD2  LEU 120          3HD2      LEU 120   1.808  11.887  11.887
  457    H    LEU 121           H        LEU 121   2.611   9.152   9.152
  458    HA   LEU 121           HA       LEU 121   4.072   6.660   6.660
  459   1HB   LEU 121          1HB       LEU 121   2.566   6.396   6.396
  460   2HB   LEU 121          2HB       LEU 121   1.351   7.407   7.407
  461    HG   LEU 121           HG       LEU 121   0.821   5.597   5.597
  462   1HD1  LEU 121          2HD1      LEU 121   3.315   4.611   4.611
  463   2HD1  LEU 121          1HD1      LEU 121   2.160   3.468   3.468
  464   3HD1  LEU 121          3HD1      LEU 121   2.126   3.829   3.829
  465   1HD2  LEU 121          1HD2      LEU 121   0.576   5.317   5.317
  466   2HD2  LEU 121          3HD2      LEU 121  -0.671   5.386   5.386
  467   3HD2  LEU 121          2HD2      LEU 121   0.207   3.883   3.883
  468    H    HIS 122           H        HIS 122   4.584   6.437   6.437
  469    HA   HIS 122           HA       HIS 122   2.889   7.235   7.235
  470   1HB   HIS 122          2HB       HIS 122   5.445   5.675   5.675
  471   2HB   HIS 122          1HB       HIS 122   4.572   5.740   5.740
  472    HD1  HIS 122           HD1      HIS 122   3.719   8.739   8.739
  473    HD2  HIS 122           HD2      HIS 122   7.522   7.313   7.313
  474    HE1  HIS 122           HE1      HIS 122   5.304  10.673  10.673
  475    H    VAL 123           H        VAL 123   0.922   6.247   6.247
  476    HA   VAL 123           HA       VAL 123   0.849   3.311   3.311
  477    HB   VAL 123           HB       VAL 123  -1.404   5.285   5.285
  478   1HG1  VAL 123          2HG1      VAL 123  -1.516   2.639   2.639
  479   2HG1  VAL 123          1HG1      VAL 123  -1.991   2.587   2.587
  480   3HG1  VAL 123          3HG1      VAL 123  -2.853   3.637   3.637
  481   1HG2  VAL 123          2HG2      VAL 123   0.525   4.330   4.330
  482   2HG2  VAL 123          1HG2      VAL 123  -0.937   5.246   5.246
  483   3HG2  VAL 123          3HG2      VAL 123  -0.976   3.484   3.484
  484    H    SER 124           H        SER 124   0.769   2.393   2.393
  485    HA   SER 124           HA       SER 124  -0.807   3.681   3.681
  486   1HB   SER 124          1HB       SER 124   1.365   2.449   2.449
  487   2HB   SER 124          2HB       SER 124   1.041   4.178   4.178
  488    HG   SER 124           HG       SER 124   2.728   4.292   4.292
  489    H    GLY 125           H        GLY 125  -1.285   1.393   1.393
  490   1HA   GLY 125          2HA       GLY 125  -2.026  -0.784  -0.784
  491   2HA   GLY 125          1HA       GLY 125  -2.565  -0.346  -0.346
  492    H    ASP 126           H        ASP 126   0.814  -0.236  -0.236
  493    HA   ASP 126           HA       ASP 126   1.236  -2.823  -2.823
  494   1HB   ASP 126          2HB       ASP 126   1.501  -0.807  -0.807
  495   2HB   ASP 126          1HB       ASP 126   2.941  -0.417  -0.417
  496    H    GLY 127           H        GLY 127   2.690  -0.184  -0.184
  497   1HA   GLY 127          2HA       GLY 127   3.911  -2.052  -2.052
  498   2HA   GLY 127          1HA       GLY 127   5.082  -1.275  -1.275
  499    H    LEU 128           H        LEU 128   3.626  -1.095  -1.095
  500    HA   LEU 128           HA       LEU 128   3.285   1.721   1.721
  501   1HB   LEU 128          1HB       LEU 128   3.747  -0.326  -0.326
  502   2HB   LEU 128          2HB       LEU 128   3.092   1.286   1.286
  503    HG   LEU 128           HG       LEU 128   1.673  -0.633  -0.633
  504   1HD1  LEU 128          1HD1      LEU 128   2.032  -0.912  -0.912
  505   2HD1  LEU 128          3HD1      LEU 128   0.359  -0.961  -0.961
  506   3HD1  LEU 128          2HD1      LEU 128   1.538  -2.102  -2.102
  507   1HD2  LEU 128          2HD2      LEU 128   0.936   1.734   1.734
  508   2HD2  LEU 128          1HD2      LEU 128   0.766   1.524   1.524
  509   3HD2  LEU 128          3HD2      LEU 128  -0.279   0.628   0.628
  510    H    ARG 129           H        ARG 129   4.696   3.269   3.269
  511    HA   ARG 129           HA       ARG 129   7.334   2.505   2.505
  512   1HB   ARG 129          1HB       ARG 129   7.105   4.507   4.507
  513   2HB   ARG 129          2HB       ARG 129   8.537   3.665   3.665
  514   1HG   ARG 129          2HG       ARG 129   7.352   1.530   1.530
  515   2HG   ARG 129          1HG       ARG 129   6.315   2.636   2.636
  516   1HD   ARG 129          2HD       ARG 129   9.248   2.126   2.126
  517   2HD   ARG 129          1HD       ARG 129   7.987   2.117   2.117
  518    HE   ARG 129           HE       ARG 129   9.458   4.398   4.398
  519   1HH1  ARG 129          1HH1      ARG 129   6.569   3.296   3.296
  520   2HH1  ARG 129          2HH1      ARG 129   6.283   4.805   4.805
  521   1HH2  ARG 129          1HH2      ARG 129   9.091   6.388   6.388
  522   2HH2  ARG 129          2HH2      ARG 129   7.717   6.564   6.564
  523    H    VAL 130           H        VAL 130   7.053   3.445   3.445
  524    HA   VAL 130           HA       VAL 130   6.045   6.168   6.168
  525    HB   VAL 130           HB       VAL 130   5.256   4.621   4.621
  526   1HG1  VAL 130          3HG2      VAL 130   7.887   3.617   3.617
  527   2HG1  VAL 130          2HG2      VAL 130   7.609   4.152   4.152
  528   3HG1  VAL 130          1HG2      VAL 130   6.517   2.984   2.984
  529   1HG2  VAL 130          2HG1      VAL 130   6.090   7.074   7.074
  530   2HG2  VAL 130          1HG1      VAL 130   5.443   5.999   5.999
  531   3HG2  VAL 130          3HG1      VAL 130   7.189   6.187   6.187
  532    H    VAL 131           H        VAL 131   7.508   7.670   7.670
  533    HA   VAL 131           HA       VAL 131  10.263   7.408   7.408
  534    HB   VAL 131           HB       VAL 131   9.329   9.309   9.309
  535   1HG1  VAL 131          2HG1      VAL 131  11.740   9.042   9.042
  536   2HG1  VAL 131          1HG1      VAL 131  12.048   8.441   8.441
  537   3HG1  VAL 131          3HG1      VAL 131  11.413  10.070  10.070
  538   1HG2  VAL 131          3HG2      VAL 131   9.995   6.432   6.432
  539   2HG2  VAL 131          2HG2      VAL 131   8.925   7.406   7.406
  540   3HG2  VAL 131          1HG2      VAL 131  10.671   7.477   7.477
  541    H    ASP 132           H        ASP 132  11.059   8.836   8.836
  542    HA   ASP 132           HA       ASP 132   9.315  10.677  10.677
  543   1HB   ASP 132          2HB       ASP 132  11.182   9.486   9.486
  544   2HB   ASP 132          1HB       ASP 132  12.325  10.467  10.467
  545    H    ASP 133           H        ASP 133   9.046  12.811  12.811
  546    HA   ASP 133           HA       ASP 133  10.178  14.037  14.037
  547   1HB   ASP 133          2HB       ASP 133   7.801  14.365  14.365
  548   2HB   ASP 133          1HB       ASP 133   8.434  15.322  15.322
  549    H    GLU 134           H        GLU 134  11.273  13.687  13.687
  550    HA   GLU 134           HA       GLU 134  12.623  16.271  16.271
  551   1HB   GLU 134          1HB       GLU 134  11.468  15.387  15.387
  552   2HB   GLU 134          2HB       GLU 134  12.681  14.115  14.115
  553   1HG   GLU 134          1HG       GLU 134  14.193  16.404  16.404
  554   2HG   GLU 134          2HG       GLU 134  12.840  16.889  16.889
  555    H    THR 135           H        THR 135  13.202  12.916  12.916
  556    HA   THR 135           HA       THR 135  16.073  13.493  13.493
  557    HB   THR 135           HB       THR 135  16.499  11.109  11.109
  558    HG1  THR 135          1HG       THR 135  14.827   9.886   9.886
  559   1HG2  THR 135          2HG2      THR 135  14.987  12.570  12.570
  560   2HG2  THR 135          1HG2      THR 135  16.066  11.197  11.197
  561   3HG2  THR 135          3HG2      THR 135  16.706  12.728  12.728
  562    H    LYS 136           H        LYS 136  13.251  11.790  11.790
  563    HA   LYS 136           HA       LYS 136  12.697  11.188  11.188
  564   1HB   LYS 136          2HB       LYS 136  14.814  13.041  13.041
  565   2HB   LYS 136          1HB       LYS 136  15.107  11.670  11.670
  566   1HG   LYS 136          2HG       LYS 136  13.808  13.418  13.418
  567   2HG   LYS 136          1HG       LYS 136  12.893  11.915  11.915
  568   1HD   LYS 136          1HD       LYS 136  11.755  12.830  12.830
  569   2HD   LYS 136          2HD       LYS 136  12.631  14.345  14.345
  570   1HE   LYS 136          1HE       LYS 136  11.050  13.241  13.241
  571   2HE   LYS 136          2HE       LYS 136  10.201  14.037  14.037
  572   1HZ   LYS 136          1HZ       LYS 136  12.501  15.447  15.447
  573   2HZ   LYS 136          3HZ       LYS 136  11.154  15.337  15.337
  574   3HZ   LYS 136          2HZ       LYS 136  11.003  16.046  16.046
  575    H    GLY 137           H        GLY 137  14.222   9.557   9.557
  576   1HA   GLY 137          1HA       GLY 137  15.605   7.691   7.691
  577   2HA   GLY 137          2HA       GLY 137  15.722   7.696   7.696
  578    H    LEU 138           H        LEU 138  14.616   5.938   5.938
  579    HA   LEU 138           HA       LEU 138  11.991   5.265   5.265
  580   1HB   LEU 138          1HB       LEU 138  13.632   4.412   4.412
  581   2HB   LEU 138          2HB       LEU 138  14.072   3.187   3.187
  582    HG   LEU 138           HG       LEU 138  11.960   2.161   2.161
  583   1HD1  LEU 138          1HD1      LEU 138  10.981   4.651   4.651
  584   2HD1  LEU 138          3HD1      LEU 138  10.043   3.165   3.165
  585   3HD1  LEU 138          2HD1      LEU 138  10.522   4.064   4.064
  586   1HD2  LEU 138          2HD2      LEU 138  13.416   1.906   1.906
  587   2HD2  LEU 138          1HD2      LEU 138  11.703   1.580   1.580
  588   3HD2  LEU 138          3HD2      LEU 138  12.398   3.109   3.109
  589    H    ILE 139           H        ILE 139  10.899   4.207   4.207
  590    HA   ILE 139           HA       ILE 139  12.448   3.089   3.089
  591    HB   ILE 139           HB       ILE 139   9.519   3.739   3.739
  592   1HG1  ILE 139          2HG1      ILE 139  11.802   5.603   5.603
  593   2HG1  ILE 139          1HG1      ILE 139  10.782   5.757   5.757
  594   1HG2  ILE 139          3HG2      ILE 139  11.243   2.490   2.490
  595   2HG2  ILE 139          2HG2      ILE 139  11.129   4.137   4.137
  596   3HG2  ILE 139          1HG2      ILE 139   9.667   3.179   3.179
  597   1HD1  ILE 139          3HD1      ILE 139   8.941   5.659   5.659
  598   2HD1  ILE 139          2HD1      ILE 139  10.276   6.534   6.534
  599   3HD1  ILE 139          1HD1      ILE 139   9.564   7.128   7.128
  600    H    VAL 140           H        VAL 140   9.434   2.476   2.476
  601    HA   VAL 140           HA       VAL 140   9.741  -0.371  -0.371
  602    HB   VAL 140           HB       VAL 140   7.224   1.103   1.103
  603   1HG1  VAL 140          1HG1      VAL 140   7.892  -1.749  -1.749
  604   2HG1  VAL 140          3HG1      VAL 140   6.403  -1.238  -1.238
  605   3HG1  VAL 140          2HG1      VAL 140   6.617  -0.964  -0.964
  606   1HG2  VAL 140          2HG2      VAL 140   8.130   1.624   1.624
  607   2HG2  VAL 140          1HG2      VAL 140   6.526   0.891   0.891
  608   3HG2  VAL 140          3HG2      VAL 140   7.940  -0.082  -0.082
  609    H    ASP 141           H        ASP 141  11.345  -0.132  -0.132
  610    HA   ASP 141           HA       ASP 141  10.341   0.133   0.133
  611   1HB   ASP 141          1HB       ASP 141  12.516  -0.699  -0.699
  612   2HB   ASP 141          2HB       ASP 141  12.727   0.455   0.455
  613    H    GLN 142           H        GLN 142   8.428  -1.342  -1.342
  614    HA   GLN 142           HA       GLN 142   9.076  -4.026  -4.026
  615   1HB   GLN 142          1HB       GLN 142   7.771  -3.313  -3.313
  616   2HB   GLN 142          2HB       GLN 142   7.094  -4.672  -4.672
  617   1HG   GLN 142          1HG       GLN 142   9.189  -5.829  -5.829
  618   2HG   GLN 142          2HG       GLN 142   9.997  -4.427  -4.427
  619   1HE2  GLN 142          1HE2      GLN 142   8.908  -5.015  -5.015
  620   2HE2  GLN 142          2HE2      GLN 142   9.538  -3.856  -3.856
  621    H    THR 143           H        THR 143   7.708  -4.804  -4.804
  622    HA   THR 143           HA       THR 143   5.888  -3.200  -3.200
  623    HB   THR 143           HB       THR 143   5.456  -6.155  -6.155
  624    HG1  THR 143          1HG       THR 143   7.368  -6.492  -6.492
  625   1HG2  THR 143          2HG2      THR 143   5.219  -3.980  -3.980
  626   2HG2  THR 143          1HG2      THR 143   6.016  -5.416  -5.416
  627   3HG2  THR 143          3HG2      THR 143   4.402  -5.545  -5.545
  628    H    ILE 144           H        ILE 144   3.517  -4.287  -4.287
  629    HA   ILE 144           HA       ILE 144   2.241  -4.238  -4.238
  630    HB   ILE 144           HB       ILE 144   1.640  -2.386  -2.386
  631   1HG1  ILE 144          1HG1      ILE 144  -0.734  -4.137  -4.137
  632   2HG1  ILE 144          2HG1      ILE 144   0.177  -3.300  -3.300
  633   1HG2  ILE 144          1HG2      ILE 144   1.559  -4.236  -4.236
  634   2HG2  ILE 144          3HG2      ILE 144  -0.151  -4.202  -4.202
  635   3HG2  ILE 144          2HG2      ILE 144   0.658  -2.722  -2.722
  636   1HD1  ILE 144          2HD1      ILE 144  -0.312  -1.253  -1.253
  637   2HD1  ILE 144          1HD1      ILE 144  -1.734  -2.254  -2.254
  638   3HD1  ILE 144          3HD1      ILE 144  -1.368  -1.709  -1.709
  639    H    GLU 145           H        GLU 145   2.889  -6.159  -6.159
  640    HA   GLU 145           HA       GLU 145   0.692  -8.001  -8.001
  641   1HB   GLU 145          1HB       GLU 145   1.273  -9.065  -9.065
  642   2HB   GLU 145          2HB       GLU 145   1.097  -7.333  -7.333
  643   1HG   GLU 145          1HG       GLU 145   3.805  -7.811  -7.811
  644   2HG   GLU 145          2HG       GLU 145   3.323  -9.018  -9.018
  645    H    LYS 146           H        LYS 146   4.135  -7.653  -7.653
  646    HA   LYS 146           HA       LYS 146   4.507 -10.468 -10.468
  647   1HB   LYS 146          1HB       LYS 146   6.157  -8.441  -8.441
  648   2HB   LYS 146          2HB       LYS 146   6.834  -8.856  -8.856
  649   1HG   LYS 146          1HG       LYS 146   6.224 -10.810 -10.810
  650   2HG   LYS 146          2HG       LYS 146   7.820 -10.169 -10.169
  651   1HD   LYS 146          2HD       LYS 146   6.238 -11.471 -11.471
  652   2HD   LYS 146          1HD       LYS 146   7.001 -12.496 -12.496
  653   1HE   LYS 146          1HE       LYS 146   9.134 -11.879 -11.879
  654   2HE   LYS 146          2HE       LYS 146   8.599 -10.353 -10.353
  655   1HZ   LYS 146          2HZ       LYS 146   7.648 -12.816 -12.816
  656   2HZ   LYS 146          1HZ       LYS 146   9.276 -12.416 -12.416
  657   3HZ   LYS 146          3HZ       LYS 146   8.065 -11.336 -11.336
  658    H    VAL 147           H        VAL 147   2.988  -8.427  -8.427
  659    HA   VAL 147           HA       VAL 147   4.529  -8.778  -8.778
  660    HB   VAL 147           HB       VAL 147   2.240  -7.021  -7.021
  661   1HG1  VAL 147          3HG1      VAL 147   4.615  -7.439  -7.439
  662   2HG1  VAL 147          2HG1      VAL 147   4.934  -5.946  -5.946
  663   3HG1  VAL 147          1HG1      VAL 147   3.583  -6.032  -6.032
  664   1HG2  VAL 147          2HG2      VAL 147   4.326  -6.196  -6.196
  665   2HG2  VAL 147          1HG2      VAL 147   2.595  -6.381  -6.381
  666   3HG2  VAL 147          3HG2      VAL 147   3.185  -5.096  -5.096
  667    H    SER 148           H        SER 148   2.590  -8.526  -8.526
  668    HA   SER 148           HA       SER 148   1.024 -10.959 -10.959
  669   1HB   SER 148          1HB       SER 148   2.316  -9.731  -9.731
  670   2HB   SER 148          2HB       SER 148   0.699 -10.357 -10.357
  671    HG   SER 148           HG       SER 148   1.590 -12.297 -12.297
  672    H    PHE 149           H        PHE 149   0.402  -7.990  -7.990
  673    HA   PHE 149           HA       PHE 149  -1.537  -6.861  -6.861
  674   1HB   PHE 149          2HB       PHE 149  -3.108  -8.833  -8.833
  675   2HB   PHE 149          1HB       PHE 149  -3.604  -7.919  -7.919
  676    HD1  PHE 149           HD2      PHE 149  -1.662  -8.478  -8.478
  677    HD2  PHE 149           HD1      PHE 149  -3.238 -11.079 -11.079
  678    HE1  PHE 149           HE2      PHE 149  -1.157 -10.413 -10.413
  679    HE2  PHE 149           HE1      PHE 149  -2.736 -13.020 -13.020
  680    HZ   PHE 149           HZ       PHE 149  -1.694 -12.689 -12.689
  681    H    CYS 150           H        CYS 150  -2.805  -5.303  -5.303
  682    HA   CYS 150           HA       CYS 150  -1.802  -4.510  -4.510
  683   1HB   CYS 150          2HB       CYS 150  -3.241  -2.581  -2.581
  684   2HB   CYS 150          1HB       CYS 150  -2.483  -2.912  -2.912
  685    HG   CYS 150           HG       CYS 150  -4.885  -2.536  -2.536
  686    H    ALA 151           H        ALA 151  -3.672  -3.583  -3.583
  687    HA   ALA 151           HA       ALA 151  -6.055  -4.892  -4.892
  688   1HB   ALA 151          3HB       ALA 151  -3.771  -6.559  -6.559
  689   2HB   ALA 151          2HB       ALA 151  -4.898  -6.344  -6.344
  690   3HB   ALA 151          1HB       ALA 151  -5.470  -6.990  -6.990
  691    HA   PRO 152           HA       PRO 152  -4.987  -1.286  -1.286
  692   1HB   PRO 152          2HB       PRO 152  -7.671  -0.534  -0.534
  693   2HB   PRO 152          1HB       PRO 152  -6.435   0.134   0.134
  694   1HG   PRO 152          1HG       PRO 152  -8.475  -1.975  -1.975
  695   2HG   PRO 152          2HG       PRO 152  -7.862  -0.702  -0.702
  696   1HD   PRO 152          2HD       PRO 152  -7.062  -3.244  -3.244
  697   2HD   PRO 152          1HD       PRO 152  -5.939  -1.893  -1.893
  698    H    ASP 153           H        ASP 153  -5.301  -1.102  -1.102
  699    HA   ASP 153           HA       ASP 153  -5.806  -3.257  -3.257
  700   1HB   ASP 153          2HB       ASP 153  -6.473  -1.487  -1.487
  701   2HB   ASP 153          1HB       ASP 153  -4.848  -1.457  -1.457
  702    H    ARG 154           H        ARG 154  -8.202  -0.656  -0.656
  703    HA   ARG 154           HA       ARG 154 -10.360  -2.437  -2.437
  704   1HB   ARG 154          2HB       ARG 154  -9.806  -2.634  -2.634
  705   2HB   ARG 154          1HB       ARG 154 -10.543  -1.043  -1.043
  706   1HG   ARG 154          1HG       ARG 154 -12.542  -1.979  -1.979
  707   2HG   ARG 154          2HG       ARG 154 -12.294  -2.680  -2.680
  708   1HD   ARG 154          2HD       ARG 154 -11.902  -4.722  -4.722
  709   2HD   ARG 154          1HD       ARG 154 -10.881  -4.098  -4.098
  710    HE   ARG 154           HE       ARG 154 -12.671  -4.231  -4.231
  711   1HH1  ARG 154          1HH1      ARG 154 -13.829  -4.234  -4.234
  712   2HH1  ARG 154          2HH1      ARG 154 -15.477  -4.527  -4.527
  713   1HH2  ARG 154          1HH2      ARG 154 -14.838  -4.616  -4.616
  714   2HH2  ARG 154          2HH2      ARG 154 -16.051  -4.744  -4.744
  715    H    ASN 155           H        ASN 155  -9.225   0.013   0.013
  716    HA   ASN 155           HA       ASN 155  -9.786   2.133   2.133
  717   1HB   ASN 155          1HB       ASN 155 -12.538   0.892   0.892
  718   2HB   ASN 155          2HB       ASN 155 -11.924   2.211   2.211
  719   1HD2  ASN 155          2HD2      ASN 155 -10.759   0.105   0.105
  720   2HD2  ASN 155          1HD2      ASN 155 -11.312   1.663   1.663
  721    H    HIS 156           H        HIS 156  -9.882   1.808   1.808
  722    HA   HIS 156           HA       HIS 156 -12.080   3.629   3.629
  723   1HB   HIS 156          1HB       HIS 156 -11.502   1.278   1.278
  724   2HB   HIS 156          2HB       HIS 156 -10.485   2.339   2.339
  725    HD1  HIS 156           HD1      HIS 156 -11.824   4.374   4.374
  726    HD2  HIS 156           HD2      HIS 156 -14.108   1.239   1.239
  727    HE1  HIS 156           HE1      HIS 156 -14.084   4.542   4.542
  728    H    GLU 157           H        GLU 157  -9.035   3.981   3.981
  729    HA   GLU 157           HA       GLU 157  -8.782   6.426   6.426
  730   1HB   GLU 157          2HB       GLU 157  -7.046   4.084   4.084
  731   2HB   GLU 157          1HB       GLU 157  -6.199   5.610   5.610
  732   1HG   GLU 157          2HG       GLU 157  -8.301   5.009   5.009
  733   2HG   GLU 157          1HG       GLU 157  -6.572   5.212   5.212
  734    H    ARG 158           H        ARG 158  -9.040   5.363   5.363
  735    HA   ARG 158           HA       ARG 158  -8.327   5.974   5.974
  736   1HB   ARG 158          2HB       ARG 158  -7.017   8.214   8.214
  737   2HB   ARG 158          1HB       ARG 158  -7.267   8.198   8.198
  738   1HG   ARG 158          1HG       ARG 158  -9.078   9.418   9.418
  739   2HG   ARG 158          2HG       ARG 158  -9.784   7.809   7.809
  740   1HD   ARG 158          1HD       ARG 158  -8.473   8.442   8.442
  741   2HD   ARG 158          2HD       ARG 158  -9.477   9.819   9.819
  742    HE   ARG 158           HE       ARG 158 -10.378   7.295   7.295
  743   1HH1  ARG 158          1HH1      ARG 158 -11.184   9.905   9.905
  744   2HH1  ARG 158          2HH1      ARG 158 -12.890   9.616   9.616
  745   1HH2  ARG 158          1HH2      ARG 158 -12.624   6.907   6.907
  746   2HH2  ARG 158          2HH2      ARG 158 -13.709   7.913   7.913
  747    H    GLY 159           H        GLY 159  -6.694   4.100   4.100
  748   1HA   GLY 159          1HA       GLY 159  -4.085   4.672   4.672
  749   2HA   GLY 159          2HA       GLY 159  -4.206   3.938   3.938
  750    H    PHE 160           H        PHE 160  -3.068   3.053   3.053
  751    HA   PHE 160           HA       PHE 160  -4.481   0.469   0.469
  752   1HB   PHE 160          1HB       PHE 160  -3.279   2.182   2.182
  753   2HB   PHE 160          2HB       PHE 160  -3.266   0.433   0.433
  754    HD1  PHE 160           HD2      PHE 160  -5.803   2.790   2.790
  755    HD2  PHE 160           HD1      PHE 160  -4.862  -0.170  -0.170
  756    HE1  PHE 160           HE2      PHE 160  -8.118   2.870   2.870
  757    HE2  PHE 160           HE1      PHE 160  -7.178  -0.096  -0.096
  758    HZ   PHE 160           HZ       PHE 160  -8.810   1.426   1.426
  759    H    SER 161           H        SER 161  -2.723  -1.096  -1.096
  760    HA   SER 161           HA       SER 161  -0.037  -0.788  -0.788
  761   1HB   SER 161          1HB       SER 161  -1.571  -3.020  -3.020
  762   2HB   SER 161          2HB       SER 161   0.059  -2.450  -2.450
  763    HG   SER 161           HG       SER 161  -2.419  -1.309  -1.309
  764    H    TYR 162           H        TYR 162   1.319  -2.016  -2.016
  765    HA   TYR 162           HA       TYR 162   0.132  -4.001  -4.001
  766   1HB   TYR 162          2HB       TYR 162   2.869  -2.729  -2.729
  767   2HB   TYR 162          1HB       TYR 162   2.043  -3.669  -3.669
  768    HD1  TYR 162           HD2      TYR 162  -0.702  -2.236  -2.236
  769    HD2  TYR 162           HD1      TYR 162   3.225  -0.866  -0.866
  770    HE1  TYR 162           HE2      TYR 162  -1.644  -0.172  -0.172
  771    HE2  TYR 162           HE1      TYR 162   2.294   1.203   1.203
  772    HH   TYR 162           HH2      TYR 162   0.025   1.887   1.887
  773    H    ILE 163           H        ILE 163   1.867  -5.769  -5.769
  774    HA   ILE 163           HA       ILE 163   3.588  -6.571  -6.571
  775    HB   ILE 163           HB       ILE 163   2.217  -8.922  -8.922
  776   1HG1  ILE 163          1HG1      ILE 163   0.114  -6.756  -6.756
  777   2HG1  ILE 163          2HG1      ILE 163   0.354  -7.764  -7.764
  778   1HG2  ILE 163          3HG2      ILE 163   3.159  -7.810  -7.810
  779   2HG2  ILE 163          2HG2      ILE 163   1.749  -6.752  -6.752
  780   3HG2  ILE 163          1HG2      ILE 163   1.556  -8.488  -8.488
  781   1HD1  ILE 163          2HD1      ILE 163   0.061  -9.708  -9.708
  782   2HD1  ILE 163          1HD1      ILE 163  -0.796  -8.456  -8.456
  783   3HD1  ILE 163          3HD1      ILE 163  -1.328  -8.898  -8.898
  784    H    CYS 164           H        CYS 164   4.955  -8.307  -8.307
  785    HA   CYS 164           HA       CYS 164   4.742  -9.481  -9.481
  786   1HB   CYS 164          2HB       CYS 164   6.931  -8.822  -8.822
  787   2HB   CYS 164          1HB       CYS 164   6.093  -7.362  -7.362
  788    HG   CYS 164           HG       CYS 164   7.525  -7.779  -7.779
  789    H    ARG 165           H        ARG 165   6.457 -11.196 -11.196
  790    HA   ARG 165           HA       ARG 165   7.110 -12.449 -12.449
  791   1HB   ARG 165          2HB       ARG 165   6.867 -14.644 -14.644
  792   2HB   ARG 165          1HB       ARG 165   5.388 -13.787 -13.787
  793   1HG   ARG 165          2HG       ARG 165   4.809 -13.616 -13.616
  794   2HG   ARG 165          1HG       ARG 165   6.382 -12.949 -12.949
  795   1HD   ARG 165          2HD       ARG 165   7.310 -15.082 -15.082
  796   2HD   ARG 165          1HD       ARG 165   5.976 -15.883 -15.883
  797    HE   ARG 165           HE       ARG 165   6.052 -15.014 -15.014
  798   1HH1  ARG 165          1HH1      ARG 165   4.030 -15.903 -15.903
  799   2HH1  ARG 165          2HH1      ARG 165   2.677 -16.334 -16.334
  800   1HH2  ARG 165          2HH2      ARG 165   4.275 -15.579 -15.579
  801   2HH2  ARG 165          1HH2      ARG 165   2.816 -16.150 -16.150
  802    H    ASP 166           H        ASP 166   9.186 -11.370 -11.370
  803    HA   ASP 166           HA       ASP 166  11.374 -11.189 -11.189
  804   1HB   ASP 166          1HB       ASP 166  12.574 -13.259 -13.259
  805   2HB   ASP 166          2HB       ASP 166  11.218 -13.437 -13.437
  806    H    GLY 167           H        GLY 167  12.892 -12.766 -12.766
  807   1HA   GLY 167          1HA       GLY 167  12.922 -13.317 -13.317
  808   2HA   GLY 167          2HA       GLY 167  11.589 -12.196 -12.196
  809    H    THR 168           H        THR 168  12.744 -10.101 -10.101
  810    HA   THR 168           HA       THR 168  15.256  -9.414  -9.414
  811    HB   THR 168           HB       THR 168  12.761  -7.747  -7.747
  812    HG1  THR 168          1HG       THR 168  12.642  -9.021  -9.021
  813   1HG2  THR 168          1HG2      THR 168  15.619  -7.192  -7.192
  814   2HG2  THR 168          3HG2      THR 168  14.251  -6.384  -6.384
  815   3HG2  THR 168          2HG2      THR 168  14.522  -6.206  -6.206
  816    H    THR 169           H        THR 169  12.573  -8.338  -8.338
  817    HA   THR 169           HA       THR 169  14.008  -6.360  -6.360
  818    HB   THR 169           HB       THR 169  11.884  -7.692  -7.692
  819    HG1  THR 169          1HG       THR 169  11.281  -6.646  -6.646
  820   1HG2  THR 169          2HG2      THR 169  12.844  -5.089  -5.089
  821   2HG2  THR 169          1HG2      THR 169  11.193  -5.096  -5.096
  822   3HG2  THR 169          3HG2      THR 169  11.518  -5.636  -5.636
  823    H    ARG 170           H        ARG 170  12.790  -9.402  -9.402
  824    HA   ARG 170           HA       ARG 170  15.232 -10.398 -10.398
  825   1HB   ARG 170          1HB       ARG 170  14.628  -9.899  -9.899
  826   2HB   ARG 170          2HB       ARG 170  15.660  -8.834  -8.834
  827   1HG   ARG 170          1HG       ARG 170  13.224  -7.766  -7.766
  828   2HG   ARG 170          2HG       ARG 170  12.992  -8.379  -8.379
  829   1HD   ARG 170          1HD       ARG 170  15.250  -6.587  -6.587
  830   2HD   ARG 170          2HD       ARG 170  13.794  -6.047  -6.047
  831    HE   ARG 170           HE       ARG 170  15.234  -8.110  -8.110
  832   1HH1  ARG 170          1HH1      ARG 170  14.935  -4.683  -4.683
  833   2HH1  ARG 170          2HH1      ARG 170  15.663  -4.251  -4.251
  834   1HH2  ARG 170          1HH2      ARG 170  16.193  -7.554  -7.554
  835   2HH2  ARG 170          2HH2      ARG 170  16.378  -5.883  -5.883
  836    H    ARG 171           H        ARG 171  12.316 -10.040 -10.040
  837    HA   ARG 171           HA       ARG 171  11.595 -12.822 -12.822
  838   1HB   ARG 171          2HB       ARG 171  11.202 -13.322 -13.322
  839   2HB   ARG 171          1HB       ARG 171  12.816 -12.634 -12.634
  840   1HG   ARG 171          2HG       ARG 171  12.156 -10.621 -10.621
  841   2HG   ARG 171          1HG       ARG 171  10.444 -10.938 -10.938
  842   1HD   ARG 171          2HD       ARG 171  10.283 -11.800 -11.800
  843   2HD   ARG 171          1HD       ARG 171  11.410 -13.072 -13.072
  844    HE   ARG 171           HE       ARG 171  12.920 -10.835 -10.835
  845   1HH1  ARG 171          1HH1      ARG 171  10.745 -13.062 -13.062
  846   2HH1  ARG 171          2HH1      ARG 171  11.499 -12.909 -12.909
  847   1HH2  ARG 171          1HH2      ARG 171  13.919 -10.626 -10.626
  848   2HH2  ARG 171          2HH2      ARG 171  13.303 -11.524 -11.524
  849    H    TRP 172           H        TRP 172   9.384 -12.688 -12.688
  850    HA   TRP 172           HA       TRP 172   7.381 -11.611 -11.611
  851   1HB   TRP 172          1HB       TRP 172   6.941 -12.005 -12.005
  852   2HB   TRP 172          2HB       TRP 172   5.844 -12.325 -12.325
  853    HD1  TRP 172           HD1      TRP 172   7.999 -14.085 -14.085
  854    HE1  TRP 172           HE1      TRP 172   8.418 -16.511 -16.511
  855    HE3  TRP 172           HE3      TRP 172   6.332 -13.745 -13.745
  856    HZ2  TRP 172          2HZ       TRP 172   8.086 -18.075 -18.075
  857    HZ3  TRP 172           HZ3      TRP 172   6.416 -15.752 -15.752
  858    HH2  TRP 172           HH2      TRP 172   7.276 -17.871 -17.871
  859    H    MET 173           H        MET 173   8.239  -9.478  -9.478
  860    HA   MET 173           HA       MET 173   8.341  -7.619  -7.619
  861   1HB   MET 173          1HB       MET 173   8.850  -7.401  -7.401
  862   2HB   MET 173          2HB       MET 173   8.789  -5.972  -5.972
  863   1HG   MET 173          1HG       MET 173  10.509  -8.049  -8.049
  864   2HG   MET 173          2HG       MET 173  11.005  -7.511  -7.511
  865   1HE   MET 173          1HE       MET 173   9.679  -6.156  -6.156
  866   2HE   MET 173          3HE       MET 173  11.281  -6.810  -6.810
  867   3HE   MET 173          2HE       MET 173  10.989  -5.076  -5.076
  868    H    CYS 174           H        CYS 174   6.696  -6.500  -6.500
  869    HA   CYS 174           HA       CYS 174   4.270  -6.244  -6.244
  870   1HB   CYS 174          2HB       CYS 174   4.567  -6.892  -6.892
  871   2HB   CYS 174          1HB       CYS 174   4.274  -5.159  -5.159
  872    HG   CYS 174           HG       CYS 174   2.005  -5.644  -5.644
  873    H    HIS 175           H        HIS 175   3.210  -4.136  -4.136
  874    HA   HIS 175           HA       HIS 175   5.043  -1.877  -1.877
  875   1HB   HIS 175          2HB       HIS 175   3.495  -2.477  -2.477
  876   2HB   HIS 175          1HB       HIS 175   4.405  -1.001  -1.001
  877    HD1  HIS 175           HD1      HIS 175   6.590  -1.068  -1.068
  878    HD2  HIS 175           HD2      HIS 175   5.428  -4.822  -4.822
  879    HE1  HIS 175           HE1      HIS 175   8.426  -2.668  -2.668
  880    H    GLY 176           H        GLY 176   4.021  -0.702  -0.702
  881   1HA   GLY 176          1HA       GLY 176   1.120  -0.266  -0.266
  882   2HA   GLY 176          2HA       GLY 176   2.071   0.050   0.050
  883    H    PHE 177           H        PHE 177   0.750   1.378   1.378
  884    HA   PHE 177           HA       PHE 177   2.279   3.852   3.852
  885   1HB   PHE 177          1HB       PHE 177   2.371   4.291   4.291
  886   2HB   PHE 177          2HB       PHE 177   2.687   2.565   2.565
  887    HD1  PHE 177           HD2      PHE 177   0.442   1.085   1.085
  888    HD2  PHE 177           HD1      PHE 177   0.986   4.965   4.965
  889    HE1  PHE 177           HE2      PHE 177  -1.363   0.647   0.647
  890    HE2  PHE 177           HE1      PHE 177  -0.821   4.537   4.537
  891    HZ   PHE 177           HZ       PHE 177  -1.999   2.373   2.373
  892    H    LEU 178           H        LEU 178   1.192   5.672   5.672
  893    HA   LEU 178           HA       LEU 178  -1.740   5.525   5.525
  894   1HB   LEU 178          2HB       LEU 178  -0.360   6.113   6.113
  895   2HB   LEU 178          1HB       LEU 178  -0.108   7.668   7.668
  896    HG   LEU 178           HG       LEU 178  -2.675   7.801   7.801
  897   1HD1  LEU 178          1HD2      LEU 178  -3.020   5.400   5.400
  898   2HD1  LEU 178          3HD2      LEU 178  -2.455   5.739   5.739
  899   3HD1  LEU 178          2HD2      LEU 178  -3.923   6.508   6.508
  900   1HD2  LEU 178          1HD1      LEU 178  -1.214   9.122   9.122
  901   2HD2  LEU 178          3HD1      LEU 178  -2.819   8.793   8.793
  902   3HD2  LEU 178          2HD1      LEU 178  -1.430   7.868   7.868
  903    H    ALA 179           H        ALA 179  -2.985   7.164   7.164
  904    HA   ALA 179           HA       ALA 179  -1.914   8.304   8.304
  905   1HB   ALA 179          2HB       ALA 179  -4.340   7.598   7.598
  906   2HB   ALA 179          1HB       ALA 179  -4.493   9.211   9.211
  907   3HB   ALA 179          3HB       ALA 179  -4.066   9.023   9.023
  908    H    CYS 180           H        CYS 180  -1.309  10.366  10.366
  909    HA   CYS 180           HA       CYS 180  -0.214  11.989  11.989
  910   1HB   CYS 180          1HB       CYS 180   0.583  12.137  12.137
  911   2HB   CYS 180          2HB       CYS 180  -1.005  12.638  12.638
  912    HG   CYS 180           HG       CYS 180  -0.638  14.936  14.936
  913    H    LYS 181           H        LYS 181  -3.201  12.444  12.444
  914    HA   LYS 181           HA       LYS 181  -4.003  14.719  14.719
  915   1HB   LYS 181          1HB       LYS 181  -5.662  13.080  13.080
  916   2HB   LYS 181          2HB       LYS 181  -6.013  14.705  14.705
  917   1HG   LYS 181          1HG       LYS 181  -3.657  13.925  13.925
  918   2HG   LYS 181          2HG       LYS 181  -5.135  14.699  14.699
  919   1HD   LYS 181          2HD       LYS 181  -3.977  16.137  16.137
  920   2HD   LYS 181          1HD       LYS 181  -2.829  15.967  15.967
  921   1HE   LYS 181          2HE       LYS 181  -3.849  17.776  17.776
  922   2HE   LYS 181          1HE       LYS 181  -5.104  16.639  16.639
  923   1HZ   LYS 181          2HZ       LYS 181  -5.126  18.059  18.059
  924   2HZ   LYS 181          1HZ       LYS 181  -5.907  18.644  18.644
  925   3HZ   LYS 181          3HZ       LYS 181  -6.384  17.171  17.171
  926    H    ASP 182           H        ASP 182  -4.761  11.291  11.291
  927    HA   ASP 182           HA       ASP 182  -5.753   9.924   9.924
  928   1HB   ASP 182          1HB       ASP 182  -4.597  11.829  11.829
  929   2HB   ASP 182          2HB       ASP 182  -6.289  12.017  12.017
  930    H    SER 183           H        SER 183  -7.428  10.297  10.297
  931    HA   SER 183           HA       SER 183  -9.955  10.855  10.855
  932   1HB   SER 183          1HB       SER 183 -10.629  12.135  12.135
  933   2HB   SER 183          2HB       SER 183  -9.756  12.983  12.983
  934    HG   SER 183           HG       SER 183  -7.880  12.791  12.791
  935    H    GLY 184           H        GLY 184  -8.352   8.601   8.601
  936   1HA   GLY 184          2HA       GLY 184  -8.749   6.841   6.841
  937   2HA   GLY 184          1HA       GLY 184 -10.356   6.932   6.932
  938    H    GLU 185           H        GLU 185  -8.900   9.403   9.403
  939    HA   GLU 185           HA       GLU 185 -10.530   8.569   8.569
  940   1HB   GLU 185          1HB       GLU 185 -10.923  11.064  11.064
  941   2HB   GLU 185          2HB       GLU 185 -11.151  11.140  11.140
  942   1HG   GLU 185          2HG       GLU 185 -12.700   9.117   9.117
  943   2HG   GLU 185          1HG       GLU 185 -12.682   9.563   9.563
  944    H    ARG 186           H        ARG 186  -7.884   8.287   8.287
  945    HA   ARG 186           HA       ARG 186  -7.041   9.908   9.908
  946   1HB   ARG 186          2HB       ARG 186  -6.070  10.574  10.574
  947   2HB   ARG 186          1HB       ARG 186  -4.924  10.664  10.664
  948   1HG   ARG 186          2HG       ARG 186  -6.834  12.072  12.072
  949   2HG   ARG 186          1HG       ARG 186  -7.328  12.324  12.324
  950   1HD   ARG 186          2HD       ARG 186  -4.914  12.996  12.996
  951   2HD   ARG 186          1HD       ARG 186  -4.724  13.058  13.058
  952    HE   ARG 186           HE       ARG 186  -6.081  14.963  14.963
  953   1HH1  ARG 186          1HH1      ARG 186  -5.891  13.594  13.594
  954   2HH1  ARG 186          2HH1      ARG 186  -6.563  14.987  14.987
  955   1HH2  ARG 186          1HH2      ARG 186  -6.966  16.803  16.803
  956   2HH2  ARG 186          2HH2      ARG 186  -7.176  16.815  16.815
  957    H    LEU 187           H        LEU 187  -6.027   7.809   7.809
  958    HA   LEU 187           HA       LEU 187  -4.205   6.437   6.437
  959   1HB   LEU 187          1HB       LEU 187  -4.095   6.852   6.852
  960   2HB   LEU 187          2HB       LEU 187  -3.222   5.531   5.531
  961    HG   LEU 187           HG       LEU 187  -1.965   7.142   7.142
  962   1HD1  LEU 187          2HD1      LEU 187  -3.637   9.148   9.148
  963   2HD1  LEU 187          1HD1      LEU 187  -2.123   9.566   9.566
  964   3HD1  LEU 187          3HD1      LEU 187  -3.475   8.943   8.943
  965   1HD2  LEU 187          3HD2      LEU 187  -1.795   6.793   6.793
  966   2HD2  LEU 187          2HD2      LEU 187  -0.498   7.034   7.034
  967   3HD2  LEU 187          1HD2      LEU 187  -1.275   8.426   8.426
  968    H    SER 188           H        SER 188  -6.581   5.961   5.961
  969    HA   SER 188           HA       SER 188  -6.639   3.197   3.197
  970   1HB   SER 188          1HB       SER 188  -9.054   3.488   3.488
  971   2HB   SER 188          2HB       SER 188  -7.888   4.444   4.444
  972    HG   SER 188           HG       SER 188  -9.996   5.336   5.336
  973    H    HIS 189           H        HIS 189  -8.991   5.186   5.186
  974    HA   HIS 189           HA       HIS 189  -9.935   3.011   3.011
  975   1HB   HIS 189          1HB       HIS 189 -11.321   4.976   4.976
  976   2HB   HIS 189          2HB       HIS 189 -10.159   5.995   5.995
  977    HD1  HIS 189           HD1      HIS 189 -12.586   3.159   3.159
  978    HD2  HIS 189           HD2      HIS 189 -10.540   6.211   6.211
  979    HE1  HIS 189           HE1      HIS 189 -13.461   3.206   3.206
  980    H    ALA 190           H        ALA 190  -7.274   5.197   5.197
  981    HA   ALA 190           HA       ALA 190  -6.873   4.899   4.899
  982   1HB   ALA 190          2HB       ALA 190  -5.374   6.042   6.042
  983   2HB   ALA 190          1HB       ALA 190  -4.405   5.505   5.505
  984   3HB   ALA 190          3HB       ALA 190  -5.681   6.701   6.701
  985    H    VAL 191           H        VAL 191  -5.060   3.542   3.542
  986    HA   VAL 191           HA       VAL 191  -3.536   1.751   1.751
  987    HB   VAL 191           HB       VAL 191  -4.329   1.338   1.338
  988   1HG1  VAL 191          3HG2      VAL 191  -2.148   0.324   0.324
  989   2HG1  VAL 191          2HG2      VAL 191  -1.893   0.443   0.443
  990   3HG1  VAL 191          1HG2      VAL 191  -3.195  -0.563  -0.563
  991   1HG2  VAL 191          3HG1      VAL 191  -3.151   3.618   3.618
  992   2HG2  VAL 191          2HG1      VAL 191  -3.042   3.038   3.038
  993   3HG2  VAL 191          1HG1      VAL 191  -1.771   2.644   2.644
  994    H    GLY 192           H        GLY 192  -6.646   1.374   1.374
  995   1HA   GLY 192          1HA       GLY 192  -6.920  -1.408  -1.408
  996   2HA   GLY 192          2HA       GLY 192  -8.230  -0.290  -0.290
  997    H    CYS 193           H        CYS 193  -7.953   1.421   1.421
  998    HA   CYS 193           HA       CYS 193  -9.288  -0.124  -0.124
  999   1HB   CYS 193          2HB       CYS 193  -9.677   1.932   1.932
 1000   2HB   CYS 193          1HB       CYS 193  -9.758   2.305   2.305
 1001    HG   CYS 193           HG       CYS 193  -8.254   3.975   3.975
 1002    H    ALA 194           H        ALA 194  -6.089   1.203   1.203
 1003    HA   ALA 194           HA       ALA 194  -5.064   0.970   0.970
 1004   1HB   ALA 194          3HB       ALA 194  -3.671   0.610   0.610
 1005   2HB   ALA 194          2HB       ALA 194  -2.851   0.789   0.789
 1006   3HB   ALA 194          1HB       ALA 194  -3.840   2.105   2.105
 1007    H    PHE 195           H        PHE 195  -5.217  -1.438  -1.438
 1008    HA   PHE 195           HA       PHE 195  -3.796  -3.501  -3.501
 1009   1HB   PHE 195          1HB       PHE 195  -6.093  -3.381  -3.381
 1010   2HB   PHE 195          2HB       PHE 195  -5.642  -4.950  -4.950
 1011    HD1  PHE 195           HD1      PHE 195  -3.199  -5.668  -5.668
 1012    HD2  PHE 195           HD2      PHE 195  -4.959  -2.509  -2.509
 1013    HE1  PHE 195           HE1      PHE 195  -1.413  -5.869  -5.869
 1014    HE2  PHE 195           HE2      PHE 195  -3.174  -2.703  -2.703
 1015    HZ   PHE 195           HZ       PHE 195  -1.398  -4.385  -4.385
 1016    H    ALA 196           H        ALA 196  -6.917  -2.260  -2.260
 1017    HA   ALA 196           HA       ALA 196  -8.146  -4.341  -4.341
 1018   1HB   ALA 196          3HB       ALA 196  -8.021  -1.449  -1.449
 1019   2HB   ALA 196          2HB       ALA 196  -9.138  -2.634  -2.634
 1020   3HB   ALA 196          1HB       ALA 196  -9.229  -2.212  -2.212
 1021    H    VAL 197           H        VAL 197  -5.561  -2.278  -2.278
 1022    HA   VAL 197           HA       VAL 197  -5.505  -3.623  -3.623
 1023    HB   VAL 197           HB       VAL 197  -3.564  -1.664  -1.664
 1024   1HG1  VAL 197          3HG2      VAL 197  -3.585  -3.052  -3.052
 1025   2HG1  VAL 197          2HG2      VAL 197  -2.934  -1.417  -1.417
 1026   3HG1  VAL 197          1HG2      VAL 197  -2.234  -2.725  -2.725
 1027   1HG2  VAL 197          1HG1      VAL 197  -6.087  -1.173  -1.173
 1028   2HG2  VAL 197          3HG1      VAL 197  -4.779   0.009   0.009
 1029   3HG2  VAL 197          2HG1      VAL 197  -5.167  -0.908  -0.908
 1030    H    CYS 198           H        CYS 198  -3.816  -3.834  -3.834
 1031    HA   CYS 198           HA       CYS 198  -1.553  -5.247  -5.247
 1032   1HB   CYS 198          1HB       CYS 198  -2.020  -4.486  -4.486
 1033   2HB   CYS 198          2HB       CYS 198  -3.344  -5.639  -5.639
 1034    HG   CYS 198           HG       CYS 198  -1.578  -6.998  -6.998
 1035    H    LEU 199           H        LEU 199  -4.858  -6.414  -6.414
 1036    HA   LEU 199           HA       LEU 199  -3.944  -9.029  -9.029
 1037   1HB   LEU 199          2HB       LEU 199  -6.208  -9.806  -9.806
 1038   2HB   LEU 199          1HB       LEU 199  -4.805  -9.599  -9.599
 1039    HG   LEU 199           HG       LEU 199  -6.763  -7.351  -7.351
 1040   1HD1  LEU 199          2HD2      LEU 199  -7.768  -9.719  -9.719
 1041   2HD1  LEU 199          1HD2      LEU 199  -7.128  -9.275  -9.275
 1042   3HD1  LEU 199          3HD2      LEU 199  -8.301  -8.230  -8.230
 1043   1HD2  LEU 199          3HD1      LEU 199  -4.505  -7.192  -7.192
 1044   2HD2  LEU 199          2HD1      LEU 199  -5.937  -6.630  -6.630
 1045   3HD2  LEU 199          1HD1      LEU 199  -5.243  -8.207  -8.207
 1046    H    GLU 200           H        GLU 200  -6.379  -6.502  -6.502
 1047    HA   GLU 200           HA       GLU 200  -7.739  -5.840  -5.840
 1048   1HB   GLU 200          2HB       GLU 200  -5.723  -6.122  -6.122
 1049   2HB   GLU 200          1HB       GLU 200  -6.158  -7.805  -7.805
 1050   1HG   GLU 200          2HG       GLU 200  -6.857  -6.677  -6.677
 1051   2HG   GLU 200          1HG       GLU 200  -8.328  -6.928  -6.928
 1052    H    ARG 201           H        ARG 201  -9.799  -6.317  -6.317
 1053    HA   ARG 201           HA       ARG 201 -11.754  -7.462  -7.462
 1054   1HB   ARG 201          2HB       ARG 201  -9.914  -9.468  -9.468
 1055   2HB   ARG 201          1HB       ARG 201 -11.650  -9.714  -9.714
 1056   1HG   ARG 201          2HG       ARG 201 -12.106  -8.255  -8.255
 1057   2HG   ARG 201          1HG       ARG 201 -10.845  -7.130  -7.130
 1058   1HD   ARG 201          2HD       ARG 201  -9.323  -9.157  -9.157
 1059   2HD   ARG 201          1HD       ARG 201 -10.736  -9.364  -9.364
 1060    HE   ARG 201           HE       ARG 201  -8.766  -7.341  -7.341
 1061   1HH1  ARG 201          1HH2      ARG 201 -12.408  -6.644  -6.644
 1062   2HH1  ARG 201          2HH2      ARG 201 -12.185  -7.904  -7.904
 1063   1HH2  ARG 201          1HH1      ARG 201  -9.046  -5.680  -5.680
 1064   2HH2  ARG 201          2HH1      ARG 201 -10.622  -5.380  -5.380
 1065    H    LYS 202           H        LYS 202  -9.848  -7.815  -7.815
 1066    HA   LYS 202           HA       LYS 202  -9.609  -9.081  -9.081
 1067   1HB   LYS 202          1HB       LYS 202 -12.543  -9.238  -9.238
 1068   2HB   LYS 202          2HB       LYS 202 -11.868  -9.984  -9.984
 1069   1HG   LYS 202          2HG       LYS 202 -12.695  -7.853  -7.853
 1070   2HG   LYS 202          1HG       LYS 202 -10.933  -7.747  -7.747
 1071   1HD   LYS 202          1HD       LYS 202 -10.909  -6.528  -6.528
 1072   2HD   LYS 202          2HD       LYS 202 -12.583  -6.946  -6.946
 1073   1HE   LYS 202          1HE       LYS 202 -13.243  -5.646  -5.646
 1074   2HE   LYS 202          2HE       LYS 202 -11.575  -5.075  -5.075
 1075   1HZ   LYS 202          2HZ       LYS 202 -12.077  -4.443  -4.443
 1076   2HZ   LYS 202          1HZ       LYS 202 -13.675  -4.417  -4.417
 1077   3HZ   LYS 202          3HZ       LYS 202 -12.518  -3.415  -3.415
 1078    H    GLN 203           H        GLN 203  -8.865 -10.508 -10.508
 1079    HA   GLN 203           HA       GLN 203 -10.039 -13.083 -13.083
 1080   1HB   GLN 203          1HB       GLN 203  -7.688 -11.736 -11.736
 1081   2HB   GLN 203          2HB       GLN 203  -7.498 -13.470 -13.470
 1082   1HG   GLN 203          2HG       GLN 203  -9.884 -13.487 -13.487
 1083   2HG   GLN 203          1HG       GLN 203  -9.283 -11.966 -11.966
 1084   1HE2  GLN 203          2HE2      GLN 203  -7.155 -13.443 -13.443
 1085   2HE2  GLN 203          1HE2      GLN 203  -7.851 -12.008 -12.008
 1086    H    ARG 204           H        ARG 204  -7.493 -11.673 -11.673
 1087    HA   ARG 204           HA       ARG 204  -5.995 -12.580 -12.580
 1088   1HB   ARG 204          2HB       ARG 204  -8.539 -12.501 -12.501
 1089   2HB   ARG 204          1HB       ARG 204  -8.155 -14.193 -14.193
 1090   1HG   ARG 204          1HG       ARG 204  -7.741 -12.509 -12.509
 1091   2HG   ARG 204          2HG       ARG 204  -6.498 -13.707 -13.707
 1092   1HD   ARG 204          2HD       ARG 204  -6.300 -11.112 -11.112
 1093   2HD   ARG 204          1HD       ARG 204  -5.956 -11.113 -11.113
 1094    HE   ARG 204           HE       ARG 204  -4.562 -13.212 -13.212
 1095   1HH1  ARG 204          2HH1      ARG 204  -4.540  -9.756  -9.756
 1096   2HH1  ARG 204          1HH1      ARG 204  -2.832  -9.607  -9.607
 1097   1HH2  ARG 204          1HH2      ARG 204  -2.311 -13.029 -13.029
 1098   2HH2  ARG 204          2HH2      ARG 204  -1.564 -11.469 -11.469
 1099    H    ARG 205           H        ARG 205  -6.169 -15.040 -15.040
 1100    HA   ARG 205           HA       ARG 205  -5.935 -17.118 -17.118
 1101   1HB   ARG 205          2HB       ARG 205  -3.671 -16.175 -16.175
 1102   2HB   ARG 205          1HB       ARG 205  -3.696 -17.785 -17.785
 1103   1HG   ARG 205          1HG       ARG 205  -3.907 -15.264 -15.264
 1104   2HG   ARG 205          2HG       ARG 205  -2.382 -16.077 -16.077
 1105   1HD   ARG 205          1HD       ARG 205  -3.918 -18.136 -18.136
 1106   2HD   ARG 205          2HD       ARG 205  -4.497 -16.786 -16.786
 1107    HE   ARG 205           HE       ARG 205  -1.912 -18.044 -18.044
 1108   1HH1  ARG 205          1HH1      ARG 205  -3.759 -15.173 -15.173
 1109   2HH1  ARG 205          2HH1      ARG 205  -2.691 -14.627 -14.627
 1110   1HH2  ARG 205          2HH2      ARG 205  -0.497 -17.335 -17.335
 1111   2HH2  ARG 205          1HH2      ARG 205  -0.836 -15.856 -15.856
 1112    H    THR 206           H        THR 206  -7.658 -16.478 -16.478
 1113    HA   THR 206           HA       THR 206  -7.091 -18.834 -18.834
 1114    HB   THR 206           HB       THR 206  -7.244 -17.037 -17.037
 1115    HG1  THR 206          1HG       THR 206  -8.662 -18.251 -18.251
 1116   1HG2  THR 206          3HG2      THR 206  -7.956 -15.331 -15.331
 1117   2HG2  THR 206          2HG2      THR 206  -9.601 -15.964 -15.964
 1118   3HG2  THR 206          1HG2      THR 206  -8.870 -15.254 -15.254
 1119    H    ARG 207           H        ARG 207  -9.320 -17.419 -17.419
 1120    HA   ARG 207           HA       ARG 207 -11.700 -18.671 -18.671
 1121   1HB   ARG 207          1HB       ARG 207 -10.404 -18.164 -18.164
 1122   2HB   ARG 207          2HB       ARG 207 -12.091 -18.608 -18.608
 1123   1HG   ARG 207          2HG       ARG 207 -11.029 -16.233 -16.233
 1124   2HG   ARG 207          1HG       ARG 207 -11.391 -16.106 -16.106
 1125   1HD   ARG 207          2HD       ARG 207 -13.463 -15.604 -15.604
 1126   2HD   ARG 207          1HD       ARG 207 -13.622 -17.349 -17.349
 1127    HE   ARG 207           HE       ARG 207 -12.536 -16.271 -16.271
 1128   1HH1  ARG 207          2HH1      ARG 207 -15.510 -16.269 -16.269
 1129   2HH1  ARG 207          1HH1      ARG 207 -16.511 -16.030 -16.030
 1130   1HH2  ARG 207          1HH2      ARG 207 -13.846 -15.957 -15.957
 1131   2HH2  ARG 207          2HH2      ARG 207 -15.565 -15.853 -15.853
 1132    H    ALA 208           H        ALA 208  -8.858 -20.014 -20.014
 1133    HA   ALA 208           HA       ALA 208 -10.147 -22.663 -22.663
 1134   1HB   ALA 208          1HB       ALA 208  -9.023 -21.298 -21.298
 1135   2HB   ALA 208          3HB       ALA 208  -7.938 -22.635 -22.635
 1136   3HB   ALA 208          2HB       ALA 208  -9.642 -22.950 -22.950
 1137    H    ALA 209           H        ALA 209  -9.368 -23.025 -23.025
 1138    HA   ALA 209           HA       ALA 209  -6.557 -22.930 -22.930
 1139   1HB   ALA 209          3HB       ALA 209  -8.184 -22.527 -22.527
 1140   2HB   ALA 209          2HB       ALA 209  -8.832 -24.156 -24.156
 1141   3HB   ALA 209          1HB       ALA 209  -7.187 -23.928 -23.928
 1142    H    ALA 210           H        ALA 210  -5.925 -25.165 -25.165
 1143    HA   ALA 210           HA       ALA 210  -5.263 -27.342 -27.342
 1144   1HB   ALA 210          2HB       ALA 210  -7.844 -27.383 -27.383
 1145   2HB   ALA 210          1HB       ALA 210  -6.902 -28.170 -28.170
 1146   3HB   ALA 210          3HB       ALA 210  -6.850 -28.787 -28.787
 1147   1H    ALA   1          1HT       ALA   1 -12.774  -8.469  -8.469
 1148   2H    ALA   1          3HT       ALA   1 -12.680  -7.864  -7.864
 1149   3H    ALA   1          2HT       ALA   1 -14.149  -7.740  -7.740
 1150    HA   ALA   1           HA       ALA   1 -13.344  -5.666  -5.666
 1151   1HB   ALA   1          1HB       ALA   1 -10.715  -7.018  -7.018
 1152   2HB   ALA   1          3HB       ALA   1 -10.782  -5.477  -5.477
 1153   3HB   ALA   1          2HB       ALA   1 -11.314  -5.579  -5.579
 1154    H    TYR   2           H        TYR   2 -10.993  -7.303  -7.303
 1155    HA   TYR   2           HA       TYR   2 -12.623  -7.353  -7.353
 1156   1HB   TYR   2          1HB       TYR   2 -10.992  -5.578  -5.578
 1157   2HB   TYR   2          2HB       TYR   2 -12.518  -5.118  -5.118
 1158    HD1  TYR   2           HD1      TYR   2  -9.555  -6.035  -6.035
 1159    HD2  TYR   2           HD2      TYR   2 -11.870  -2.841  -2.841
 1160    HE1  TYR   2           HE1      TYR   2  -8.369  -4.446  -4.446
 1161    HE2  TYR   2           HE2      TYR   2 -10.688  -1.248  -1.248
 1162    HH   TYR   2           HH2      TYR   2  -9.348  -1.095  -1.095
 1163    H    ILE   3           H        ILE   3  -9.302  -6.306  -6.306
 1164    HA   ILE   3           HA       ILE   3  -8.594  -9.091  -9.091
 1165    HB   ILE   3           HB       ILE   3  -7.582  -6.553  -6.553
 1166   1HG1  ILE   3          1HG1      ILE   3  -8.424  -8.576  -8.576
 1167   2HG1  ILE   3          2HG1      ILE   3  -9.676  -8.397  -8.397
 1168   1HG2  ILE   3          1HG2      ILE   3  -6.246  -9.085  -9.085
 1169   2HG2  ILE   3          3HG2      ILE   3  -6.553  -8.751  -8.751
 1170   3HG2  ILE   3          2HG2      ILE   3  -5.656  -7.590  -7.590
 1171   1HD1  ILE   3          1HD1      ILE   3  -9.217  -5.821  -5.821
 1172   2HD1  ILE   3          3HD1      ILE   3  -8.811  -6.543  -6.543
 1173   3HD1  ILE   3          2HD1      ILE   3 -10.406  -6.808  -6.808
 1174    H    GLY   4           H        GLY   4  -7.692  -6.177  -6.177
 1175   1HA   GLY   4          1HA       GLY   4  -5.040  -6.796  -6.796
 1176   2HA   GLY   4          2HA       GLY   4  -6.145  -5.834  -5.834
 1177    HA   PRO   5           HA       PRO   5  -6.395  -9.055  -9.055
 1178   1HB   PRO   5          2HB       PRO   5  -9.335  -8.590  -8.590
 1179   2HB   PRO   5          1HB       PRO   5  -8.232  -8.548  -8.548
 1180   1HG   PRO   5          1HG       PRO   5  -9.192  -6.290  -6.290
 1181   2HG   PRO   5          2HG       PRO   5  -7.491  -6.392  -6.392
 1182   1HD   PRO   5          2HD       PRO   5  -8.670  -6.526  -6.526
 1183   2HD   PRO   5          1HD       PRO   5  -7.220  -5.666  -5.666
 1184   1HN   PTR   6           H        PTR   6  -5.872 -10.748 -10.748
 1185    HA   PTR   6           HA       PTR   6  -6.248 -12.720 -12.720
 1186   1HB   PTR   6          1HB       PTR   6  -8.811 -12.374 -12.374
 1187   2HB   PTR   6          2HB       PTR   6  -7.582 -13.619 -13.619
 1188    HD1  PTR   6           HD1      PTR   6  -7.550 -15.540 -15.540
 1189    HD2  PTR   6           HD2      PTR   6 -10.376 -12.481 -12.481
 1190    HE1  PTR   6           HE1      PTR   6  -9.061 -17.164 -17.164
 1191    HE2  PTR   6           HE2      PTR   6 -12.084 -14.169 -14.169
 1192    H    LEU   7           H        LEU   7  -7.037 -13.459 -13.459
 1193    HA   LEU   7           HA       LEU   7  -7.911 -13.271 -13.271
 1194   1HB   LEU   7          1HB       LEU   7  -9.974 -12.533 -12.533
 1195   2HB   LEU   7          2HB       LEU   7  -9.591 -10.940 -10.940
 1196    HG   LEU   7           HG       LEU   7  -9.571 -12.504 -12.504
 1197   1HD1  LEU   7          3HD2      LEU   7 -10.546 -14.309 -14.309
 1198   2HD1  LEU   7          2HD2      LEU   7 -12.007 -13.322 -13.322
 1199   3HD1  LEU   7          1HD2      LEU   7 -11.407 -13.952 -13.952
 1200   1HD2  LEU   7          1HD1      LEU   7 -10.641 -10.211 -10.211
 1201   2HD2  LEU   7          3HD1      LEU   7 -11.304 -11.156 -11.156
 1202   3HD2  LEU   7          2HD1      LEU   7 -12.091 -11.187 -11.187

  Start of MODEL    3
    1    HA   SER  64           HA       SER  64 -19.167   9.514   9.514
    2   1HB   SER  64          1HB       SER  64 -20.418   9.286   9.286
    3   2HB   SER  64          2HB       SER  64 -20.937   8.393   8.393
    4    HG   SER  64           HG       SER  64 -22.386  10.017  10.017
    5    H    LYS  65           H        LYS  65 -17.559   9.798   9.798
    6    HA   LYS  65           HA       LYS  65 -15.988  11.067  11.067
    7   1HB   LYS  65          2HB       LYS  65 -18.557  11.373  11.373
    8   2HB   LYS  65          1HB       LYS  65 -17.223  12.408  12.408
    9   1HG   LYS  65          2HG       LYS  65 -15.860  10.531  10.531
   10   2HG   LYS  65          1HG       LYS  65 -17.013   9.416   9.416
   11   1HD   LYS  65          2HD       LYS  65 -17.826  11.182  11.182
   12   2HD   LYS  65          1HD       LYS  65 -16.991   9.654   9.654
   13   1HE   LYS  65          1HE       LYS  65 -18.730   8.395   8.395
   14   2HE   LYS  65          2HE       LYS  65 -19.433   9.796   9.796
   15   1HZ   LYS  65          1HZ       LYS  65 -19.926  10.684  10.684
   16   2HZ   LYS  65          3HZ       LYS  65 -19.464   9.187   9.187
   17   3HZ   LYS  65          2HZ       LYS  65 -20.789   9.288   9.288
   18    HA   PRO  66           HA       PRO  66 -17.347  14.878  14.878
   19   1HB   PRO  66          1HB       PRO  66 -14.763  14.885  14.885
   20   2HB   PRO  66          2HB       PRO  66 -16.258  14.381  14.381
   21   1HG   PRO  66          1HG       PRO  66 -14.161  12.732  12.732
   22   2HG   PRO  66          2HG       PRO  66 -15.177  12.352  12.352
   23   1HD   PRO  66          2HD       PRO  66 -15.655  11.253  11.253
   24   2HD   PRO  66          1HD       PRO  66 -16.989  11.743  11.743
   25    H    HIS  67           H        HIS  67 -14.015  14.239  14.239
   26    HA   HIS  67           HA       HIS  67 -14.105  16.146  16.146
   27   1HB   HIS  67          1HB       HIS  67 -14.112  17.758  17.758
   28   2HB   HIS  67          2HB       HIS  67 -12.679  17.003  17.003
   29    HD1  HIS  67           HD1      HIS  67 -13.625  19.766  19.766
   30    HD2  HIS  67           HD2      HIS  67 -10.414  17.135  17.135
   31    HE1  HIS  67           HE1      HIS  67 -11.749  20.862  20.862
   32    H    GLN  68           H        GLN  68 -11.724  15.050  15.050
   33    HA   GLN  68           HA       GLN  68  -9.771  14.521  14.521
   34   1HB   GLN  68          2HB       GLN  68  -9.450  15.290  15.290
   35   2HB   GLN  68          1HB       GLN  68  -9.441  13.557  13.557
   36   1HG   GLN  68          2HG       GLN  68  -7.474  13.232  13.232
   37   2HG   GLN  68          1HG       GLN  68  -7.687  14.667  14.667
   38   1HE2  GLN  68          1HE2      GLN  68  -5.009  15.591  15.591
   39   2HE2  GLN  68          2HE2      GLN  68  -5.308  14.610  14.610
   40    H    TRP  69           H        TRP  69 -12.146  12.749  12.749
   41    HA   TRP  69           HA       TRP  69 -11.179  10.154  10.154
   42   1HB   TRP  69          1HB       TRP  69 -13.771  11.434  11.434
   43   2HB   TRP  69          2HB       TRP  69 -13.907   9.885   9.885
   44    HD1  TRP  69           HD1      TRP  69 -11.032   9.971   9.971
   45    HE1  TRP  69           HE1      TRP  69 -11.612   8.642   8.642
   46    HE3  TRP  69           HE3      TRP  69 -16.050   9.360   9.360
   47    HZ2  TRP  69          2HZ       TRP  69 -13.894   7.487   7.487
   48    HZ3  TRP  69           HZ3      TRP  69 -17.358   8.131   8.131
   49    HH2  TRP  69           HH2      TRP  69 -16.302   7.214   7.214
   50    H    GLN  70           H        GLN  70 -12.570  12.184  12.184
   51    HA   GLN  70           HA       GLN  70 -13.107  10.135  10.135
   52   1HB   GLN  70          1HB       GLN  70 -13.493  11.888  11.888
   53   2HB   GLN  70          2HB       GLN  70 -14.052  12.481  12.481
   54   1HG   GLN  70          1HG       GLN  70 -12.887  14.308  14.308
   55   2HG   GLN  70          2HG       GLN  70 -11.493  13.364  13.364
   56   1HE2  GLN  70          2HE2      GLN  70 -10.297  14.531  14.531
   57   2HE2  GLN  70          1HE2      GLN  70 -10.425  14.939  14.939
   58    H    ALA  71           H        ALA  71 -10.304  12.056  12.056
   59    HA   ALA  71           HA       ALA  71  -8.784  11.279  11.279
   60   1HB   ALA  71          3HB       ALA  71  -8.558  13.343  13.343
   61   2HB   ALA  71          2HB       ALA  71  -7.383  12.253  12.253
   62   3HB   ALA  71          1HB       ALA  71  -7.206  12.732  12.732
   63    H    ASP  72           H        ASP  72  -8.277  10.622  10.622
   64    HA   ASP  72           HA       ASP  72  -6.358   8.663   8.663
   65   1HB   ASP  72          1HB       ASP  72  -7.351   7.771   7.771
   66   2HB   ASP  72          2HB       ASP  72  -6.788   9.439   9.439
   67    H    GLU  73           H        GLU  73  -9.884   8.236   8.236
   68    HA   GLU  73           HA       GLU  73 -10.040   5.487   5.487
   69   1HB   GLU  73          2HB       GLU  73 -12.009   6.914   6.914
   70   2HB   GLU  73          1HB       GLU  73 -11.783   7.509   7.509
   71   1HG   GLU  73          1HG       GLU  73 -11.934   4.630   4.630
   72   2HG   GLU  73          2HG       GLU  73 -13.347   5.364   5.364
   73    H    GLU  74           H        GLU  74  -9.117   7.726   7.726
   74    HA   GLU  74           HA       GLU  74  -9.088   5.597   5.597
   75   1HB   GLU  74          2HB       GLU  74  -9.895   8.133   8.133
   76   2HB   GLU  74          1HB       GLU  74  -8.194   8.357   8.357
   77   1HG   GLU  74          1HG       GLU  74  -8.937   6.134   6.134
   78   2HG   GLU  74          2HG       GLU  74 -10.321   7.220   7.220
   79    H    ALA  75           H        ALA  75  -6.997   7.459   7.459
   80    HA   ALA  75           HA       ALA  75  -4.580   7.252   7.252
   81   1HB   ALA  75          1HB       ALA  75  -5.172   7.402   7.402
   82   2HB   ALA  75          3HB       ALA  75  -3.536   7.438   7.438
   83   3HB   ALA  75          2HB       ALA  75  -4.684   8.708   8.708
   84    H    VAL  76           H        VAL  76  -5.581   5.233   5.233
   85    HA   VAL  76           HA       VAL  76  -3.620   3.329   3.329
   86    HB   VAL  76           HB       VAL  76  -5.425   1.764   1.764
   87   1HG1  VAL  76          2HG2      VAL  76  -4.569   4.334   4.334
   88   2HG1  VAL  76          1HG2      VAL  76  -5.460   3.091   3.091
   89   3HG1  VAL  76          3HG2      VAL  76  -3.874   2.724   2.724
   90   1HG2  VAL  76          2HG1      VAL  76  -7.152   3.601   3.601
   91   2HG2  VAL  76          1HG1      VAL  76  -7.541   2.445   2.445
   92   3HG2  VAL  76          3HG1      VAL  76  -7.061   4.088   4.088
   93    H    ARG  77           H        ARG  77  -6.518   3.639   3.639
   94    HA   ARG  77           HA       ARG  77  -6.567   1.078   1.078
   95   1HB   ARG  77          1HB       ARG  77  -8.102   3.326   3.326
   96   2HB   ARG  77          2HB       ARG  77  -7.290   3.291   3.291
   97   1HG   ARG  77          1HG       ARG  77  -8.278   1.307   1.307
   98   2HG   ARG  77          2HG       ARG  77  -8.590   0.817   0.817
   99   1HD   ARG  77          1HD       ARG  77  -9.940   3.214   3.214
  100   2HD   ARG  77          2HD       ARG  77 -10.572   1.590   1.590
  101    HE   ARG  77           HE       ARG  77 -10.105   2.116   2.116
  102   1HH1  ARG  77          1HH2      ARG  77 -12.338   2.644   2.644
  103   2HH1  ARG  77          2HH2      ARG  77 -13.714   2.824   2.824
  104   1HH2  ARG  77          1HH1      ARG  77 -11.908   2.350   2.350
  105   2HH2  ARG  77          2HH1      ARG  77 -13.469   2.656   2.656
  106    H    SER  78           H        SER  78  -5.075   4.080   4.080
  107    HA   SER  78           HA       SER  78  -3.578   2.525   2.525
  108   1HB   SER  78          1HB       SER  78  -4.775   4.992   4.992
  109   2HB   SER  78          2HB       SER  78  -3.086   5.418   5.418
  110    HG   SER  78           HG       SER  78  -4.277   4.399   4.399
  111    H    ALA  79           H        ALA  79  -3.061   2.537   2.537
  112    HA   ALA  79           HA       ALA  79  -1.323   2.660   2.660
  113   1HB   ALA  79          1HB       ALA  79   0.150   2.093   2.093
  114   2HB   ALA  79          3HB       ALA  79   0.876   1.992   1.992
  115   3HB   ALA  79          2HB       ALA  79  -0.457   0.922   0.922
  116    H    THR  80           H        THR  80  -1.600   4.880   4.880
  117    HA   THR  80           HA       THR  80   0.725   6.429   6.429
  118    HB   THR  80           HB       THR  80   0.146   6.903   6.903
  119    HG1  THR  80          1HG       THR  80  -0.935   9.060   9.060
  120   1HG2  THR  80          3HG2      THR  80  -2.632   6.990   6.990
  121   2HG2  THR  80          2HG2      THR  80  -2.203   8.089   8.089
  122   3HG2  THR  80          1HG2      THR  80  -1.977   6.351   6.351
  123    H    CYS  81           H        CYS  81  -1.133   5.564   5.564
  124    HA   CYS  81           HA       CYS  81  -2.315   8.090   8.090
  125   1HB   CYS  81          1HB       CYS  81  -3.924   6.386   6.386
  126   2HB   CYS  81          2HB       CYS  81  -2.767   5.212   5.212
  127    HG   CYS  81           HG       CYS  81  -3.417   5.854   5.854
  128    H    SER  82           H        SER  82  -1.942   8.787   8.787
  129    HA   SER  82           HA       SER  82   0.083   7.713   7.713
  130   1HB   SER  82          1HB       SER  82   1.789   8.350   8.350
  131   2HB   SER  82          2HB       SER  82   0.918   9.773   9.773
  132    HG   SER  82           HG       SER  82   2.228   9.414   9.414
  133    H    PHE  83           H        PHE  83   0.401   8.942   8.942
  134    HA   PHE  83           HA       PHE  83  -0.826  11.519  11.519
  135   1HB   PHE  83          1HB       PHE  83  -2.152   9.064   9.064
  136   2HB   PHE  83          2HB       PHE  83  -2.416  10.673  10.673
  137    HD1  PHE  83           HD1      PHE  83  -3.393  12.449  12.449
  138    HD2  PHE  83           HD2      PHE  83  -3.303   8.334   8.334
  139    HE1  PHE  83           HE1      PHE  83  -5.147  12.855  12.855
  140    HE2  PHE  83           HE2      PHE  83  -5.056   8.730   8.730
  141    HZ   PHE  83           HZ       PHE  83  -5.981  10.993  10.993
  142    H    SER  84           H        SER  84  -0.286  12.536  12.536
  143    HA   SER  84           HA       SER  84   2.136  11.859  11.859
  144   1HB   SER  84          2HB       SER  84   1.197  14.125  14.125
  145   2HB   SER  84          1HB       SER  84  -0.077  13.559  13.559
  146    HG   SER  84           HG       SER  84   1.677  14.531  14.531
  147    H    VAL  85           H        VAL  85   2.695  11.066  11.066
  148    HA   VAL  85           HA       VAL  85   0.636   9.755   9.755
  149    HB   VAL  85           HB       VAL  85   2.926   8.003   8.003
  150   1HG1  VAL  85          3HG1      VAL  85   0.168   7.714   7.714
  151   2HG1  VAL  85          2HG1      VAL  85   0.865   6.370   6.370
  152   3HG1  VAL  85          1HG1      VAL  85   1.677   6.973   6.973
  153   1HG2  VAL  85          1HG2      VAL  85   0.558   8.545   8.545
  154   2HG2  VAL  85          3HG2      VAL  85   2.272   8.579   8.579
  155   3HG2  VAL  85          2HG2      VAL  85   1.476   7.041   7.041
  156    H    LYS  86           H        LYS  86   1.610   8.638   8.638
  157    HA   LYS  86           HA       LYS  86   4.117   9.909   9.909
  158   1HB   LYS  86          2HB       LYS  86   1.483   9.802   9.802
  159   2HB   LYS  86          1HB       LYS  86   2.973   9.801   9.801
  160   1HG   LYS  86          2HG       LYS  86   3.405  11.868  11.868
  161   2HG   LYS  86          1HG       LYS  86   1.662  11.970  11.970
  162   1HD   LYS  86          2HD       LYS  86   2.408  11.627  11.627
  163   2HD   LYS  86          1HD       LYS  86   3.899  12.348  12.348
  164   1HE   LYS  86          1HE       LYS  86   1.811  13.892  13.892
  165   2HE   LYS  86          2HE       LYS  86   1.388  13.600  13.600
  166   1HZ   LYS  86          2HZ       LYS  86   4.143  14.374  14.374
  167   2HZ   LYS  86          1HZ       LYS  86   2.973  15.572  15.572
  168   3HZ   LYS  86          3HZ       LYS  86   3.116  14.820  14.820
  169    H    TYR  87           H        TYR  87   4.143   7.482   7.482
  170    HA   TYR  87           HA       TYR  87   3.621   5.169   5.169
  171   1HB   TYR  87          1HB       TYR  87   4.879   5.431   5.431
  172   2HB   TYR  87          2HB       TYR  87   6.323   5.788   5.788
  173    HD1  TYR  87           HD1      TYR  87   3.683   3.212   3.212
  174    HD2  TYR  87           HD2      TYR  87   7.775   4.009   4.009
  175    HE1  TYR  87           HE1      TYR  87   4.177   0.810   0.810
  176    HE2  TYR  87           HE2      TYR  87   8.282   1.608   1.608
  177    HH   TYR  87           HH2      TYR  87   6.637  -0.529  -0.529
  178    H    LEU  88           H        LEU  88   3.812   4.532   4.532
  179    HA   LEU  88           HA       LEU  88   5.575   5.722   5.722
  180   1HB   LEU  88          1HB       LEU  88   3.852   3.264   3.264
  181   2HB   LEU  88          2HB       LEU  88   4.889   3.698   3.698
  182    HG   LEU  88           HG       LEU  88   2.779   5.536   5.536
  183   1HD1  LEU  88          2HD1      LEU  88   1.979   3.296   3.296
  184   2HD1  LEU  88          1HD1      LEU  88   2.492   3.988   3.988
  185   3HD1  LEU  88          3HD1      LEU  88   1.253   4.795   4.795
  186   1HD2  LEU  88          3HD2      LEU  88   4.887   5.857   5.857
  187   2HD2  LEU  88          2HD2      LEU  88   3.714   7.040   7.040
  188   3HD2  LEU  88          1HD2      LEU  88   3.336   6.023   6.023
  189    H    GLY  89           H        GLY  89   5.859   3.006   3.006
  190   1HA   GLY  89          2HA       GLY  89   8.276   2.516   2.516
  191   2HA   GLY  89          1HA       GLY  89   8.460   2.346   2.346
  192    H    CYS  90           H        CYS  90   9.215   0.209   0.209
  193    HA   CYS  90           HA       CYS  90   7.059  -1.704  -1.704
  194   1HB   CYS  90          2HB       CYS  90   9.930  -2.422  -2.422
  195   2HB   CYS  90          1HB       CYS  90   8.477  -3.114  -3.114
  196    HG   CYS  90           HG       CYS  90   9.574  -1.701  -1.701
  197    H    VAL  91           H        VAL  91   7.046  -3.633  -3.633
  198    HA   VAL  91           HA       VAL  91   8.835  -3.694  -3.694
  199    HB   VAL  91           HB       VAL  91   6.883  -4.467  -4.467
  200   1HG1  VAL  91          1HG1      VAL  91   7.865  -2.173  -2.173
  201   2HG1  VAL  91          3HG1      VAL  91   6.610  -1.660  -1.660
  202   3HG1  VAL  91          2HG1      VAL  91   6.168  -2.253  -2.253
  203   1HG2  VAL  91          1HG2      VAL  91   5.388  -3.521  -3.521
  204   2HG2  VAL  91          3HG2      VAL  91   5.288  -5.087  -5.087
  205   3HG2  VAL  91          2HG2      VAL  91   4.641  -3.647  -3.647
  206    H    GLU  92           H        GLU  92   9.588  -5.697  -5.697
  207    HA   GLU  92           HA       GLU  92   9.139  -7.846  -7.846
  208   1HB   GLU  92          2HB       GLU  92  10.683  -9.099  -9.099
  209   2HB   GLU  92          1HB       GLU  92  11.289  -7.461  -7.461
  210   1HG   GLU  92          2HG       GLU  92  10.054  -7.051  -7.051
  211   2HG   GLU  92          1HG       GLU  92  10.182  -8.803  -8.803
  212    H    VAL  93           H        VAL  93   7.791  -9.560  -9.560
  213    HA   VAL  93           HA       VAL  93   6.392 -10.073 -10.073
  214    HB   VAL  93           HB       VAL  93   4.245 -10.360 -10.360
  215   1HG1  VAL  93          3HG1      VAL  93   5.590  -7.887  -7.887
  216   2HG1  VAL  93          2HG1      VAL  93   4.385  -7.653  -7.653
  217   3HG1  VAL  93          1HG1      VAL  93   3.915  -8.362  -8.362
  218   1HG2  VAL  93          1HG2      VAL  93   5.533 -10.524 -10.524
  219   2HG2  VAL  93          3HG2      VAL  93   3.935  -9.780  -9.780
  220   3HG2  VAL  93          2HG2      VAL  93   5.379  -8.767  -8.767
  221    H    PHE  94           H        PHE  94   5.074 -12.146 -12.146
  222    HA   PHE  94           HA       PHE  94   6.769 -14.172 -14.172
  223   1HB   PHE  94          1HB       PHE  94   4.746 -14.183 -14.183
  224   2HB   PHE  94          2HB       PHE  94   5.161 -15.692 -15.692
  225    HD1  PHE  94           HD1      PHE  94   6.630 -12.825 -12.825
  226    HD2  PHE  94           HD2      PHE  94   7.071 -16.874 -16.874
  227    HE1  PHE  94           HE1      PHE  94   8.608 -13.044 -13.044
  228    HE2  PHE  94           HE2      PHE  94   9.051 -17.101 -17.101
  229    HZ   PHE  94           HZ       PHE  94   9.821 -15.185 -15.185
  230    H    GLU  95           H        GLU  95   4.530 -12.465 -12.465
  231    HA   GLU  95           HA       GLU  95   3.566 -14.611 -14.611
  232   1HB   GLU  95          1HB       GLU  95   1.705 -13.041 -13.041
  233   2HB   GLU  95          2HB       GLU  95   1.149 -13.791 -13.791
  234   1HG   GLU  95          1HG       GLU  95   0.664 -15.488 -15.488
  235   2HG   GLU  95          2HG       GLU  95   2.355 -15.899 -15.899
  236    H    SER  96           H        SER  96   3.784 -13.890 -13.890
  237    HA   SER  96           HA       SER  96   3.730 -11.010 -11.010
  238   1HB   SER  96          1HB       SER  96   4.503 -11.926 -11.926
  239   2HB   SER  96          2HB       SER  96   5.638 -11.825 -11.825
  240    HG   SER  96           HG       SER  96   5.900 -13.859 -13.859
  241    H    ARG  97           H        ARG  97   1.312 -12.724 -12.724
  242    HA   ARG  97           HA       ARG  97  -0.288 -11.574 -11.574
  243   1HB   ARG  97          2HB       ARG  97   0.509 -13.458 -13.458
  244   2HB   ARG  97          1HB       ARG  97   0.097 -14.571 -14.571
  245   1HG   ARG  97          2HG       ARG  97  -1.652 -14.870 -14.870
  246   2HG   ARG  97          1HG       ARG  97  -2.314 -13.670 -13.670
  247   1HD   ARG  97          2HD       ARG  97  -0.849 -12.589 -12.589
  248   2HD   ARG  97          1HD       ARG  97  -2.352 -13.431 -13.431
  249    HE   ARG  97           HE       ARG  97  -2.084 -10.878 -10.878
  250   1HH1  ARG  97          1HH1      ARG  97  -4.083 -13.723 -13.723
  251   2HH1  ARG  97          2HH1      ARG  97  -5.531 -12.894 -12.894
  252   1HH2  ARG  97          1HH2      ARG  97  -3.986  -9.776  -9.776
  253   2HH2  ARG  97          2HH2      ARG  97  -5.476 -10.649 -10.649
  254    H    GLY  98           H        GLY  98  -2.128 -11.029 -11.029
  255   1HA   GLY  98          1HA       GLY  98  -4.041 -12.392 -12.392
  256   2HA   GLY  98          2HA       GLY  98  -2.864 -12.325 -12.325
  257    H    MET  99           H        MET  99  -5.497 -10.822 -10.822
  258    HA   MET  99           HA       MET  99  -5.088  -8.115  -8.115
  259   1HB   MET  99          2HB       MET  99  -7.201  -9.436  -9.436
  260   2HB   MET  99          1HB       MET  99  -7.617  -9.387  -9.387
  261   1HG   MET  99          1HG       MET  99  -6.876  -6.815  -6.815
  262   2HG   MET  99          2HG       MET  99  -8.388  -7.538  -7.538
  263   1HE   MET  99          3HE       MET  99  -7.481  -4.828  -4.828
  264   2HE   MET  99          2HE       MET  99  -8.074  -4.805  -4.805
  265   3HE   MET  99          1HE       MET  99  -6.577  -5.653  -5.653
  266    H    GLN 100           H        GLN 100  -5.663 -10.448 -10.448
  267    HA   GLN 100           HA       GLN 100  -6.088  -8.611  -8.611
  268   1HB   GLN 100          1HB       GLN 100  -4.824 -11.336 -11.336
  269   2HB   GLN 100          2HB       GLN 100  -5.762 -10.451 -10.451
  270   1HG   GLN 100          2HG       GLN 100  -7.678 -10.611 -10.611
  271   2HG   GLN 100          1HG       GLN 100  -6.701 -11.888 -11.888
  272   1HE2  GLN 100          2HE2      GLN 100  -8.116 -12.477 -12.477
  273   2HE2  GLN 100          1HE2      GLN 100  -7.625 -10.903 -10.903
  274    H    VAL 101           H        VAL 101  -3.139 -10.109 -10.109
  275    HA   VAL 101           HA       VAL 101  -1.355  -9.234  -9.234
  276    HB   VAL 101           HB       VAL 101  -0.797  -9.607  -9.607
  277   1HG1  VAL 101          2HG1      VAL 101   0.852  -8.669  -8.669
  278   2HG1  VAL 101          1HG1      VAL 101   1.419 -10.266 -10.266
  279   3HG1  VAL 101          3HG1      VAL 101   1.285  -8.977  -8.977
  280   1HG2  VAL 101          2HG2      VAL 101  -1.006 -11.502 -11.502
  281   2HG2  VAL 101          1HG2      VAL 101  -1.564 -11.680 -11.680
  282   3HG2  VAL 101          3HG2      VAL 101   0.153 -11.830 -11.830
  283    H    CYS 102           H        CYS 102  -2.709  -7.566  -7.566
  284    HA   CYS 102           HA       CYS 102  -0.935  -5.344  -5.344
  285   1HB   CYS 102          1HB       CYS 102  -3.736  -5.482  -5.482
  286   2HB   CYS 102          2HB       CYS 102  -2.514  -4.274  -4.274
  287    HG   CYS 102           HG       CYS 102  -2.836  -6.545  -6.545
  288    H    GLU 103           H        GLU 103  -4.085  -6.020  -6.020
  289    HA   GLU 103           HA       GLU 103  -4.681  -3.468  -3.468
  290   1HB   GLU 103          1HB       GLU 103  -5.638  -6.162  -6.162
  291   2HB   GLU 103          2HB       GLU 103  -5.605  -5.289  -5.289
  292   1HG   GLU 103          1HG       GLU 103  -6.798  -3.419  -3.419
  293   2HG   GLU 103          2HG       GLU 103  -7.185  -4.733  -4.733
  294    H    GLU 104           H        GLU 104  -2.537  -5.941  -5.941
  295    HA   GLU 104           HA       GLU 104  -2.041  -4.416  -4.416
  296   1HB   GLU 104          1HB       GLU 104  -0.693  -6.332  -6.332
  297   2HB   GLU 104          2HB       GLU 104  -2.294  -6.849  -6.849
  298   1HG   GLU 104          1HG       GLU 104  -1.455  -7.678  -7.678
  299   2HG   GLU 104          2HG       GLU 104   0.127  -6.952  -6.952
  300    H    ALA 105           H        ALA 105  -0.445  -5.385  -5.385
  301    HA   ALA 105           HA       ALA 105   2.169  -4.690  -4.690
  302   1HB   ALA 105          1HB       ALA 105   1.438  -5.734  -5.734
  303   2HB   ALA 105          3HB       ALA 105   0.653  -4.231  -4.231
  304   3HB   ALA 105          2HB       ALA 105   2.407  -4.295  -4.295
  305    H    LEU 106           H        LEU 106  -0.423  -2.557  -2.557
  306    HA   LEU 106           HA       LEU 106   0.970  -0.195  -0.195
  307   1HB   LEU 106          1HB       LEU 106  -1.606  -0.899  -0.899
  308   2HB   LEU 106          2HB       LEU 106  -1.712  -0.032  -0.032
  309    HG   LEU 106           HG       LEU 106  -0.406   1.218   1.218
  310   1HD1  LEU 106          1HD1      LEU 106  -3.337   1.017   1.017
  311   2HD1  LEU 106          3HD1      LEU 106  -2.665   2.316   2.316
  312   3HD1  LEU 106          2HD1      LEU 106  -2.509   0.639   0.639
  313   1HD2  LEU 106          3HD2      LEU 106  -0.789   1.992   1.992
  314   2HD2  LEU 106          2HD2      LEU 106  -0.227   2.992   2.992
  315   3HD2  LEU 106          1HD2      LEU 106  -1.944   2.932   2.932
  316    H    LYS 107           H        LYS 107  -0.648  -1.454  -1.454
  317    HA   LYS 107           HA       LYS 107   0.065   0.635   0.635
  318   1HB   LYS 107          1HB       LYS 107  -1.606  -0.886  -0.886
  319   2HB   LYS 107          2HB       LYS 107  -0.567  -2.277  -2.277
  320   1HG   LYS 107          2HG       LYS 107   0.391  -0.288  -0.288
  321   2HG   LYS 107          1HG       LYS 107  -1.031  -1.232  -1.232
  322   1HD   LYS 107          2HD       LYS 107   1.318  -2.657  -2.657
  323   2HD   LYS 107          1HD       LYS 107   1.410  -2.088  -2.088
  324   1HE   LYS 107          1HE       LYS 107  -1.054  -3.251  -3.251
  325   2HE   LYS 107          2HE       LYS 107  -0.149  -4.281  -4.281
  326   1HZ   LYS 107          2HZ       LYS 107   0.887  -3.577  -3.577
  327   2HZ   LYS 107          1HZ       LYS 107  -0.121  -4.913  -4.913
  328   3HZ   LYS 107          3HZ       LYS 107   1.382  -4.833  -4.833
  329    H    VAL 108           H        VAL 108   1.696  -2.394  -2.394
  330    HA   VAL 108           HA       VAL 108   3.870  -2.076  -2.076
  331    HB   VAL 108           HB       VAL 108   4.141  -3.552  -3.552
  332   1HG1  VAL 108          2HG1      VAL 108   5.158  -3.973  -3.973
  333   2HG1  VAL 108          1HG1      VAL 108   5.379  -5.130  -5.130
  334   3HG1  VAL 108          3HG1      VAL 108   6.092  -3.521  -3.521
  335   1HG2  VAL 108          2HG2      VAL 108   2.087  -3.990  -3.990
  336   2HG2  VAL 108          1HG2      VAL 108   2.332  -4.779  -4.779
  337   3HG2  VAL 108          3HG2      VAL 108   3.159  -5.384  -5.384
  338    H    LEU 109           H        LEU 109   3.259  -0.972  -0.972
  339    HA   LEU 109           HA       LEU 109   5.805  -0.219  -0.219
  340   1HB   LEU 109          1HB       LEU 109   3.074   0.507   0.507
  341   2HB   LEU 109          2HB       LEU 109   4.183   1.850   1.850
  342    HG   LEU 109           HG       LEU 109   3.996   0.712   0.712
  343   1HD1  LEU 109          1HD2      LEU 109   6.513   0.722   0.722
  344   2HD1  LEU 109          3HD2      LEU 109   6.492  -0.378  -0.378
  345   3HD1  LEU 109          2HD2      LEU 109   6.136   1.334   1.334
  346   1HD2  LEU 109          1HD1      LEU 109   4.585  -1.751  -1.751
  347   2HD2  LEU 109          3HD1      LEU 109   3.203  -1.424  -1.424
  348   3HD2  LEU 109          2HD1      LEU 109   4.801  -1.693  -1.693
  349    H    ARG 110           H        ARG 110   3.689   1.186   1.186
  350    HA   ARG 110           HA       ARG 110   5.341   3.569   3.569
  351   1HB   ARG 110          2HB       ARG 110   2.733   3.407   3.407
  352   2HB   ARG 110          1HB       ARG 110   3.072   2.857   2.857
  353   1HG   ARG 110          2HG       ARG 110   2.964   5.039   5.039
  354   2HG   ARG 110          1HG       ARG 110   4.622   5.066   5.066
  355   1HD   ARG 110          2HD       ARG 110   3.343   5.383   5.383
  356   2HD   ARG 110          1HD       ARG 110   2.130   6.078   6.078
  357    HE   ARG 110           HE       ARG 110   4.802   7.080   7.080
  358   1HH1  ARG 110          1HH1      ARG 110   1.806   7.466   7.466
  359   2HH1  ARG 110          2HH1      ARG 110   2.067   9.145   9.145
  360   1HH2  ARG 110          2HH2      ARG 110   5.158   9.289   9.289
  361   2HH2  ARG 110          1HH2      ARG 110   3.974  10.182  10.182
  362    H    GLN 111           H        GLN 111   4.774   0.489   0.489
  363    HA   GLN 111           HA       GLN 111   6.335   1.192   1.192
  364   1HB   GLN 111          1HB       GLN 111   4.729  -1.229  -1.229
  365   2HB   GLN 111          2HB       GLN 111   5.788  -1.238  -1.238
  366   1HG   GLN 111          1HG       GLN 111   4.101   1.079   1.079
  367   2HG   GLN 111          2HG       GLN 111   3.133  -0.379  -0.379
  368   1HE2  GLN 111          2HE2      GLN 111   4.642  -1.758  -1.758
  369   2HE2  GLN 111          1HE2      GLN 111   4.656  -2.188  -2.188
  370    H    SER 112           H        SER 112   7.408   0.859   0.859
  371    HA   SER 112           HA       SER 112   9.487  -1.121  -1.121
  372   1HB   SER 112          1HB       SER 112   7.765  -1.105  -1.105
  373   2HB   SER 112          2HB       SER 112   9.326  -0.572  -0.572
  374    HG   SER 112           HG       SER 112   8.692  -2.977  -2.977
  375    H    ARG 113           H        ARG 113  11.632  -0.604  -0.604
  376    HA   ARG 113           HA       ARG 113  12.450   2.005   2.005
  377   1HB   ARG 113          2HB       ARG 113  14.646   1.260   1.260
  378   2HB   ARG 113          1HB       ARG 113  14.036   0.258   0.258
  379   1HG   ARG 113          1HG       ARG 113  14.441  -1.455  -1.455
  380   2HG   ARG 113          2HG       ARG 113  12.975  -0.959  -0.959
  381   1HD   ARG 113          2HD       ARG 113  14.542   0.617   0.617
  382   2HD   ARG 113          1HD       ARG 113  15.836  -0.413  -0.413
  383    HE   ARG 113           HE       ARG 113  13.929  -1.060  -1.060
  384   1HH1  ARG 113          1HH2      ARG 113  16.059  -2.352  -2.352
  385   2HH1  ARG 113          2HH2      ARG 113  16.224  -3.892  -3.892
  386   1HH2  ARG 113          2HH1      ARG 113  14.138  -3.083  -3.083
  387   2HH2  ARG 113          1HH1      ARG 113  15.131  -4.308  -4.308
  388    H    ARG 114           H        ARG 114  11.329   0.483   0.483
  389    HA   ARG 114           HA       ARG 114  12.392   1.882   1.882
  390   1HB   ARG 114          1HB       ARG 114  10.357   1.433   1.433
  391   2HB   ARG 114          2HB       ARG 114  10.674   0.085   0.085
  392   1HG   ARG 114          2HG       ARG 114   8.382   0.445   0.445
  393   2HG   ARG 114          1HG       ARG 114   9.065   1.194   1.194
  394   1HD   ARG 114          1HD       ARG 114   8.890   3.023   3.023
  395   2HD   ARG 114          2HD       ARG 114   7.325   2.397   2.397
  396    HE   ARG 114           HE       ARG 114   8.767   3.228   3.228
  397   1HH1  ARG 114          2HH2      ARG 114   7.159   4.552   4.552
  398   2HH1  ARG 114          1HH2      ARG 114   6.774   6.052   6.052
  399   1HH2  ARG 114          2HH1      ARG 114   8.260   5.202   5.202
  400   2HH2  ARG 114          1HH1      ARG 114   7.396   6.422   6.422
  401    H    ARG 115           H        ARG 115  11.194   3.626   3.626
  402    HA   ARG 115           HA       ARG 115  10.072   5.714   5.714
  403   1HB   ARG 115          1HB       ARG 115  11.529   7.407   7.407
  404   2HB   ARG 115          2HB       ARG 115  12.526   6.098   6.098
  405   1HG   ARG 115          2HG       ARG 115  12.728   5.236   5.236
  406   2HG   ARG 115          1HG       ARG 115  11.883   6.683   6.683
  407   1HD   ARG 115          1HD       ARG 115  14.390   6.789   6.789
  408   2HD   ARG 115          2HD       ARG 115  14.410   6.750   6.750
  409    HE   ARG 115           HE       ARG 115  12.703   8.809   8.809
  410   1HH1  ARG 115          2HH1      ARG 115  16.086   7.987   7.987
  411   2HH1  ARG 115          1HH1      ARG 115  16.617   9.634   9.634
  412   1HH2  ARG 115          1HH2      ARG 115  13.392  10.982  10.982
  413   2HH2  ARG 115          2HH2      ARG 115  15.087  11.337  11.337
  414    HA   PRO 116           HA       PRO 116   7.354   6.259   6.259
  415   1HB   PRO 116          2HB       PRO 116   6.318   8.675   8.675
  416   2HB   PRO 116          1HB       PRO 116   5.983   7.274   7.274
  417   1HG   PRO 116          1HG       PRO 116   7.907   9.527   9.527
  418   2HG   PRO 116          2HG       PRO 116   6.853   8.719   8.719
  419   1HD   PRO 116          2HD       PRO 116   9.541   8.188   8.188
  420   2HD   PRO 116          1HD       PRO 116   8.367   7.053   7.053
  421    H    VAL 117           H        VAL 117   6.698   8.078   8.078
  422    HA   VAL 117           HA       VAL 117   9.001   9.689   9.689
  423    HB   VAL 117           HB       VAL 117   8.883   7.327   7.327
  424   1HG1  VAL 117          2HG2      VAL 117   6.460   7.814   7.814
  425   2HG1  VAL 117          1HG2      VAL 117   7.203   8.796   8.796
  426   3HG1  VAL 117          3HG2      VAL 117   7.565   7.073   7.073
  427   1HG2  VAL 117          1HG1      VAL 117   9.927   9.854   9.854
  428   2HG2  VAL 117          3HG1      VAL 117  10.540   8.251   8.251
  429   3HG2  VAL 117          2HG1      VAL 117   9.382   9.047   9.047
  430    H    ARG 118           H        ARG 118   8.172  10.776  10.776
  431    HA   ARG 118           HA       ARG 118   5.421  11.492  11.492
  432   1HB   ARG 118          2HB       ARG 118   6.266  12.799  12.799
  433   2HB   ARG 118          1HB       ARG 118   7.362  13.637  13.637
  434   1HG   ARG 118          1HG       ARG 118   4.664  13.711  13.711
  435   2HG   ARG 118          2HG       ARG 118   4.754  14.349  14.349
  436   1HD   ARG 118          2HD       ARG 118   5.475  16.263  16.263
  437   2HD   ARG 118          1HD       ARG 118   6.964  15.424  15.424
  438    HE   ARG 118           HE       ARG 118   6.333  15.613  15.613
  439   1HH1  ARG 118          2HH1      ARG 118   3.471  15.729  15.729
  440   2HH1  ARG 118          1HH1      ARG 118   2.400  15.998  15.998
  441   1HH2  ARG 118          2HH2      ARG 118   4.933  15.967  15.967
  442   2HH2  ARG 118          1HH2      ARG 118   3.232  16.134  16.134
  443    H    GLY 119           H        GLY 119   5.468  11.078  11.078
  444   1HA   GLY 119          2HA       GLY 119   6.645  13.165  13.165
  445   2HA   GLY 119          1HA       GLY 119   7.359  11.578  11.578
  446    H    LEU 120           H        LEU 120   6.647  10.856  10.856
  447    HA   LEU 120           HA       LEU 120   3.746  10.950  10.950
  448   1HB   LEU 120          2HB       LEU 120   5.780  12.155  12.155
  449   2HB   LEU 120          1HB       LEU 120   5.330  10.729  10.729
  450    HG   LEU 120           HG       LEU 120   3.739  13.185  13.185
  451   1HD1  LEU 120          3HD1      LEU 120   5.032  12.471  12.471
  452   2HD1  LEU 120          2HD1      LEU 120   3.581  11.511  11.511
  453   3HD1  LEU 120          1HD1      LEU 120   3.460  13.261  13.261
  454   1HD2  LEU 120          1HD2      LEU 120   2.662  10.434  10.434
  455   2HD2  LEU 120          3HD2      LEU 120   2.029  11.901  11.901
  456   3HD2  LEU 120          2HD2      LEU 120   1.804  11.624  11.624
  457    H    LEU 121           H        LEU 121   2.792   9.051   9.051
  458    HA   LEU 121           HA       LEU 121   4.519   6.710   6.710
  459   1HB   LEU 121          1HB       LEU 121   2.947   6.679   6.679
  460   2HB   LEU 121          2HB       LEU 121   1.609   6.795   6.795
  461    HG   LEU 121           HG       LEU 121   3.562   4.550   4.550
  462   1HD1  LEU 121          2HD2      LEU 121   1.720   4.956   4.956
  463   2HD1  LEU 121          1HD2      LEU 121   1.650   3.376   3.376
  464   3HD1  LEU 121          3HD2      LEU 121   3.176   3.966   3.966
  465   1HD2  LEU 121          1HD1      LEU 121   0.646   4.982   4.982
  466   2HD2  LEU 121          3HD1      LEU 121   1.959   4.731   4.731
  467   3HD2  LEU 121          2HD1      LEU 121   1.429   3.406   3.406
  468    H    HIS 122           H        HIS 122   4.790   6.128   6.128
  469    HA   HIS 122           HA       HIS 122   3.013   6.972   6.972
  470   1HB   HIS 122          2HB       HIS 122   5.546   5.362   5.362
  471   2HB   HIS 122          1HB       HIS 122   4.594   5.421   5.421
  472    HD1  HIS 122           HD1      HIS 122   5.013   7.395   7.395
  473    HD2  HIS 122           HD2      HIS 122   6.420   7.994   7.994
  474    HE1  HIS 122           HE1      HIS 122   6.277   9.586   9.586
  475    H    VAL 123           H        VAL 123   1.147   6.027   6.027
  476    HA   VAL 123           HA       VAL 123   0.928   3.105   3.105
  477    HB   VAL 123           HB       VAL 123  -1.233   5.216   5.216
  478   1HG1  VAL 123          3HG1      VAL 123  -1.967   3.110   3.110
  479   2HG1  VAL 123          2HG1      VAL 123  -1.547   2.240   2.240
  480   3HG1  VAL 123          1HG1      VAL 123  -2.817   3.463   3.463
  481   1HG2  VAL 123          1HG2      VAL 123   0.135   3.497   3.497
  482   2HG2  VAL 123          3HG2      VAL 123  -0.133   5.241   5.241
  483   3HG2  VAL 123          2HG2      VAL 123  -1.484   4.140   4.140
  484    H    SER 124           H        SER 124   1.508   2.430   2.430
  485    HA   SER 124           HA       SER 124  -0.053   3.546   3.546
  486   1HB   SER 124          2HB       SER 124   1.928   2.180   2.180
  487   2HB   SER 124          1HB       SER 124   2.059   3.879   3.879
  488    HG   SER 124           HG       SER 124   3.748   2.192   2.192
  489    H    GLY 125           H        GLY 125  -0.884   1.434   1.434
  490   1HA   GLY 125          2HA       GLY 125  -1.835  -0.665  -0.665
  491   2HA   GLY 125          1HA       GLY 125  -2.284  -0.244  -0.244
  492    H    ASP 126           H        ASP 126   1.041  -0.470  -0.470
  493    HA   ASP 126           HA       ASP 126   1.283  -3.146  -3.146
  494   1HB   ASP 126          2HB       ASP 126   1.657  -1.534  -1.534
  495   2HB   ASP 126          1HB       ASP 126   2.938  -0.775  -0.775
  496    H    GLY 127           H        GLY 127   2.905  -0.460  -0.460
  497   1HA   GLY 127          2HA       GLY 127   4.109  -2.330  -2.330
  498   2HA   GLY 127          1HA       GLY 127   5.258  -1.504  -1.504
  499    H    LEU 128           H        LEU 128   3.889  -1.438  -1.438
  500    HA   LEU 128           HA       LEU 128   3.423   1.362   1.362
  501   1HB   LEU 128          2HB       LEU 128   3.470  -1.058  -1.058
  502   2HB   LEU 128          1HB       LEU 128   3.888   0.426   0.426
  503    HG   LEU 128           HG       LEU 128   1.752   1.152   1.152
  504   1HD1  LEU 128          3HD2      LEU 128   1.679   0.264   0.264
  505   2HD1  LEU 128          2HD2      LEU 128   0.139   0.371   0.371
  506   3HD1  LEU 128          1HD2      LEU 128   1.178   1.791   1.791
  507   1HD2  LEU 128          3HD1      LEU 128   1.674  -1.168  -1.168
  508   2HD2  LEU 128          2HD1      LEU 128   0.135  -0.623  -0.623
  509   3HD2  LEU 128          1HD1      LEU 128   1.171  -1.700  -1.700
  510    H    ARG 129           H        ARG 129   4.876   2.912   2.912
  511    HA   ARG 129           HA       ARG 129   7.508   2.251   2.251
  512   1HB   ARG 129          1HB       ARG 129   7.042   3.956   3.956
  513   2HB   ARG 129          2HB       ARG 129   8.599   3.654   3.654
  514   1HG   ARG 129          1HG       ARG 129   7.274   1.174   1.174
  515   2HG   ARG 129          2HG       ARG 129   7.409   2.197   2.197
  516   1HD   ARG 129          1HD       ARG 129   9.763   1.802   1.802
  517   2HD   ARG 129          2HD       ARG 129   9.345   0.574   0.574
  518    HE   ARG 129           HE       ARG 129  10.477   3.176   3.176
  519   1HH1  ARG 129          2HH1      ARG 129   8.704   0.492   0.492
  520   2HH1  ARG 129          1HH1      ARG 129   9.147   0.845   0.845
  521   1HH2  ARG 129          2HH2      ARG 129  11.067   3.650   3.650
  522   2HH2  ARG 129          1HH2      ARG 129  10.491   2.641   2.641
  523    H    VAL 130           H        VAL 130   7.296   3.298   3.298
  524    HA   VAL 130           HA       VAL 130   6.162   5.973   5.973
  525    HB   VAL 130           HB       VAL 130   5.515   4.401   4.401
  526   1HG1  VAL 130          2HG2      VAL 130   7.564   3.085   3.085
  527   2HG1  VAL 130          1HG2      VAL 130   8.427   4.459   4.459
  528   3HG1  VAL 130          3HG2      VAL 130   7.132   3.684   3.684
  529   1HG2  VAL 130          3HG1      VAL 130   6.590   7.026   7.026
  530   2HG2  VAL 130          2HG1      VAL 130   5.218   6.249   6.249
  531   3HG2  VAL 130          1HG1      VAL 130   6.844   6.048   6.048
  532    H    VAL 131           H        VAL 131   7.295   7.791   7.791
  533    HA   VAL 131           HA       VAL 131  10.195   7.617   7.617
  534    HB   VAL 131           HB       VAL 131   8.759   9.644   9.644
  535   1HG1  VAL 131          1HG1      VAL 131  11.628   9.263   9.263
  536   2HG1  VAL 131          3HG1      VAL 131  11.191  10.082  10.082
  537   3HG1  VAL 131          2HG1      VAL 131  10.647  10.728  10.728
  538   1HG2  VAL 131          2HG2      VAL 131   9.812   6.998   6.998
  539   2HG2  VAL 131          1HG2      VAL 131   8.772   8.041   8.041
  540   3HG2  VAL 131          3HG2      VAL 131  10.522   8.252   8.252
  541    H    ASP 132           H        ASP 132  11.176   9.425   9.425
  542    HA   ASP 132           HA       ASP 132   9.310  10.731  10.731
  543   1HB   ASP 132          2HB       ASP 132  11.125   9.329   9.329
  544   2HB   ASP 132          1HB       ASP 132  12.309  10.414  10.414
  545    H    ASP 133           H        ASP 133   9.126  12.898  12.898
  546    HA   ASP 133           HA       ASP 133  10.215  14.479  14.479
  547   1HB   ASP 133          2HB       ASP 133   8.085  14.711  14.711
  548   2HB   ASP 133          1HB       ASP 133   9.046  16.186  16.186
  549    H    GLU 134           H        GLU 134  11.621  13.460  13.460
  550    HA   GLU 134           HA       GLU 134  13.062  15.972  15.972
  551   1HB   GLU 134          1HB       GLU 134  11.989  14.726  14.726
  552   2HB   GLU 134          2HB       GLU 134  13.213  13.486  13.486
  553   1HG   GLU 134          2HG       GLU 134  13.922  14.930  14.930
  554   2HG   GLU 134          1HG       GLU 134  14.958  15.205  15.205
  555    H    THR 135           H        THR 135  13.454  12.650  12.650
  556    HA   THR 135           HA       THR 135  16.306  13.183  13.183
  557    HB   THR 135           HB       THR 135  16.634  10.730  10.730
  558    HG1  THR 135          1HG       THR 135  14.967   9.484   9.484
  559   1HG2  THR 135          2HG2      THR 135  16.497  12.357  12.357
  560   2HG2  THR 135          1HG2      THR 135  15.252  11.183  11.183
  561   3HG2  THR 135          3HG2      THR 135  16.898  10.643  10.643
  562    H    LYS 136           H        LYS 136  13.276  12.077  12.077
  563    HA   LYS 136           HA       LYS 136  12.575  11.775  11.775
  564   1HB   LYS 136          2HB       LYS 136  14.787  13.592  13.592
  565   2HB   LYS 136          1HB       LYS 136  14.814  12.488  12.488
  566   1HG   LYS 136          2HG       LYS 136  13.558  14.545  14.545
  567   2HG   LYS 136          1HG       LYS 136  12.558  13.096  13.096
  568   1HD   LYS 136          1HD       LYS 136  12.021  13.624  13.624
  569   2HD   LYS 136          2HD       LYS 136  12.519  15.253  15.253
  570   1HE   LYS 136          1HE       LYS 136  10.700  14.024  14.024
  571   2HE   LYS 136          2HE       LYS 136  10.002  14.193  14.193
  572   1HZ   LYS 136          1HZ       LYS 136  10.855  16.576  16.576
  573   2HZ   LYS 136          3HZ       LYS 136  11.023  16.309  16.309
  574   3HZ   LYS 136          2HZ       LYS 136   9.502  16.183  16.183
  575    H    GLY 137           H        GLY 137  14.060   9.741   9.741
  576   1HA   GLY 137          2HA       GLY 137  15.494   8.294   8.294
  577   2HA   GLY 137          1HA       GLY 137  15.448   7.870   7.870
  578    H    LEU 138           H        LEU 138  14.576   5.921   5.921
  579    HA   LEU 138           HA       LEU 138  11.888   5.457   5.457
  580   1HB   LEU 138          1HB       LEU 138  13.521   4.860   4.860
  581   2HB   LEU 138          2HB       LEU 138  14.016   3.519   3.519
  582    HG   LEU 138           HG       LEU 138  11.914   2.461   2.461
  583   1HD1  LEU 138          2HD1      LEU 138  10.951   5.151   5.151
  584   2HD1  LEU 138          1HD1      LEU 138  10.079   3.705   3.705
  585   3HD1  LEU 138          3HD1      LEU 138  10.286   4.049   4.049
  586   1HD2  LEU 138          2HD2      LEU 138  13.302   2.283   2.283
  587   2HD2  LEU 138          1HD2      LEU 138  11.582   2.225   2.225
  588   3HD2  LEU 138          3HD2      LEU 138  12.502   3.702   3.702
  589    H    ILE 139           H        ILE 139  10.808   4.118   4.118
  590    HA   ILE 139           HA       ILE 139  12.380   2.793   2.793
  591    HB   ILE 139           HB       ILE 139   9.438   3.311   3.311
  592   1HG1  ILE 139          2HG1      ILE 139  11.633   5.265   5.265
  593   2HG1  ILE 139          1HG1      ILE 139  10.504   5.464   5.464
  594   1HG2  ILE 139          1HG2      ILE 139  11.706   2.784   2.784
  595   2HG2  ILE 139          3HG2      ILE 139  10.225   3.552   3.552
  596   3HG2  ILE 139          2HG2      ILE 139  10.164   1.943   1.943
  597   1HD1  ILE 139          2HD1      ILE 139   9.462   5.106   5.106
  598   2HD1  ILE 139          1HD1      ILE 139  10.080   6.674   6.674
  599   3HD1  ILE 139          3HD1      ILE 139   8.734   5.927   5.927
  600    H    VAL 140           H        VAL 140   9.358   2.350   2.350
  601    HA   VAL 140           HA       VAL 140   9.722  -0.552  -0.552
  602    HB   VAL 140           HB       VAL 140   7.160   0.790   0.790
  603   1HG1  VAL 140          1HG1      VAL 140   8.005  -1.886  -1.886
  604   2HG1  VAL 140          3HG1      VAL 140   6.891  -1.657  -1.657
  605   3HG1  VAL 140          2HG1      VAL 140   6.375  -1.280  -1.280
  606   1HG2  VAL 140          3HG2      VAL 140   8.061   0.084   0.084
  607   2HG2  VAL 140          2HG2      VAL 140   7.717   1.698   1.698
  608   3HG2  VAL 140          1HG2      VAL 140   6.413   0.523   0.523
  609    H    ASP 141           H        ASP 141  11.330  -0.273  -0.273
  610    HA   ASP 141           HA       ASP 141  10.313   0.287   0.287
  611   1HB   ASP 141          1HB       ASP 141  12.552  -0.262  -0.262
  612   2HB   ASP 141          2HB       ASP 141  12.660   0.772   0.772
  613    H    GLN 142           H        GLN 142   8.585  -1.473  -1.473
  614    HA   GLN 142           HA       GLN 142   9.473  -4.004  -4.004
  615   1HB   GLN 142          2HB       GLN 142   8.577  -3.629  -3.629
  616   2HB   GLN 142          1HB       GLN 142   7.233  -4.377  -4.377
  617   1HG   GLN 142          2HG       GLN 142   8.824  -6.133  -6.133
  618   2HG   GLN 142          1HG       GLN 142  10.034  -5.430  -5.430
  619   1HE2  GLN 142          2HE2      GLN 142   8.746  -8.058  -8.058
  620   2HE2  GLN 142          1HE2      GLN 142   9.870  -7.743  -7.743
  621    H    THR 143           H        THR 143   7.691  -5.290  -5.290
  622    HA   THR 143           HA       THR 143   6.010  -3.640  -3.640
  623    HB   THR 143           HB       THR 143   5.821  -6.634  -6.634
  624    HG1  THR 143          1HG       THR 143   7.772  -6.862  -6.862
  625   1HG2  THR 143          2HG2      THR 143   5.225  -4.565  -4.565
  626   2HG2  THR 143          1HG2      THR 143   5.940  -6.063  -6.063
  627   3HG2  THR 143          3HG2      THR 143   4.434  -6.109  -6.109
  628    H    ILE 144           H        ILE 144   3.651  -4.485  -4.485
  629    HA   ILE 144           HA       ILE 144   2.396  -4.434  -4.434
  630    HB   ILE 144           HB       ILE 144   1.764  -2.752  -2.752
  631   1HG1  ILE 144          1HG1      ILE 144  -0.719  -4.266  -4.266
  632   2HG1  ILE 144          2HG1      ILE 144   0.298  -3.826  -3.826
  633   1HG2  ILE 144          3HG2      ILE 144   1.679  -4.778  -4.778
  634   2HG2  ILE 144          2HG2      ILE 144  -0.024  -4.723  -4.723
  635   3HG2  ILE 144          1HG2      ILE 144   0.757  -3.290  -3.290
  636   1HD1  ILE 144          1HD1      ILE 144   0.137  -1.499  -1.499
  637   2HD1  ILE 144          3HD1      ILE 144  -1.481  -2.193  -2.193
  638   3HD1  ILE 144          2HD1      ILE 144  -0.762  -1.881  -1.881
  639    H    GLU 145           H        GLU 145   2.939  -6.537  -6.537
  640    HA   GLU 145           HA       GLU 145   0.791  -8.351  -8.351
  641   1HB   GLU 145          1HB       GLU 145   1.405  -9.639  -9.639
  642   2HB   GLU 145          2HB       GLU 145   1.301  -7.943  -7.943
  643   1HG   GLU 145          2HG       GLU 145   3.226  -8.546  -8.546
  644   2HG   GLU 145          1HG       GLU 145   3.872  -7.971  -7.971
  645    H    LYS 146           H        LYS 146   4.316  -8.178  -8.178
  646    HA   LYS 146           HA       LYS 146   4.696 -10.820 -10.820
  647   1HB   LYS 146          1HB       LYS 146   6.338  -8.711  -8.711
  648   2HB   LYS 146          2HB       LYS 146   6.888  -9.101  -9.101
  649   1HG   LYS 146          1HG       LYS 146   6.409 -11.317 -11.317
  650   2HG   LYS 146          2HG       LYS 146   7.867 -10.334 -10.334
  651   1HD   LYS 146          2HD       LYS 146   8.601 -10.911 -10.911
  652   2HD   LYS 146          1HD       LYS 146   7.043 -11.633 -11.633
  653   1HE   LYS 146          2HE       LYS 146   7.480 -13.284 -13.284
  654   2HE   LYS 146          1HE       LYS 146   9.131 -12.665 -12.665
  655   1HZ   LYS 146          3HZ       LYS 146   8.134 -13.429 -13.429
  656   2HZ   LYS 146          2HZ       LYS 146   8.332 -14.705 -14.705
  657   3HZ   LYS 146          1HZ       LYS 146   9.645 -13.709 -13.709
  658    H    VAL 147           H        VAL 147   4.134  -7.683  -7.683
  659    HA   VAL 147           HA       VAL 147   4.937  -8.346  -8.346
  660    HB   VAL 147           HB       VAL 147   4.941  -6.032  -6.032
  661   1HG1  VAL 147          3HG2      VAL 147   1.953  -6.368  -6.368
  662   2HG1  VAL 147          2HG2      VAL 147   2.800  -4.825  -4.825
  663   3HG1  VAL 147          1HG2      VAL 147   3.070  -6.073  -6.073
  664   1HG2  VAL 147          2HG1      VAL 147   4.502  -6.705  -6.705
  665   2HG2  VAL 147          1HG1      VAL 147   4.191  -5.036  -5.036
  666   3HG2  VAL 147          3HG1      VAL 147   2.850  -6.167  -6.167
  667    H    SER 148           H        SER 148   3.371  -8.278  -8.278
  668    HA   SER 148           HA       SER 148   1.343 -10.224 -10.224
  669   1HB   SER 148          1HB       SER 148   2.823  -9.605  -9.605
  670   2HB   SER 148          2HB       SER 148   1.429  -8.595  -8.595
  671    HG   SER 148           HG       SER 148   1.708 -11.240 -11.240
  672    H    PHE 149           H        PHE 149   1.226  -7.006  -7.006
  673    HA   PHE 149           HA       PHE 149  -0.530  -5.726  -5.726
  674   1HB   PHE 149          2HB       PHE 149  -2.491  -7.615  -7.615
  675   2HB   PHE 149          1HB       PHE 149  -2.733  -6.543  -6.543
  676    HD1  PHE 149           HD1      PHE 149  -0.090  -7.355  -7.355
  677    HD2  PHE 149           HD2      PHE 149  -3.313  -9.571  -9.571
  678    HE1  PHE 149           HE1      PHE 149   0.397  -9.217  -9.217
  679    HE2  PHE 149           HE2      PHE 149  -2.833 -11.436 -11.436
  680    HZ   PHE 149           HZ       PHE 149  -0.976 -11.262 -11.262
  681    H    CYS 150           H        CYS 150  -2.616  -4.663  -4.663
  682    HA   CYS 150           HA       CYS 150  -1.691  -3.788  -3.788
  683   1HB   CYS 150          1HB       CYS 150  -3.036  -1.809  -1.809
  684   2HB   CYS 150          2HB       CYS 150  -2.048  -2.083  -2.083
  685    HG   CYS 150           HG       CYS 150  -4.506  -1.482  -1.482
  686    H    ALA 151           H        ALA 151  -3.671  -2.951  -2.951
  687    HA   ALA 151           HA       ALA 151  -6.092  -4.405  -4.405
  688   1HB   ALA 151          2HB       ALA 151  -3.914  -5.823  -5.823
  689   2HB   ALA 151          1HB       ALA 151  -5.057  -5.439  -5.439
  690   3HB   ALA 151          3HB       ALA 151  -5.602  -6.320  -6.320
  691    HA   PRO 152           HA       PRO 152  -6.459  -0.654  -0.654
  692   1HB   PRO 152          2HB       PRO 152  -9.153  -0.425  -0.425
  693   2HB   PRO 152          1HB       PRO 152  -7.971   0.183   0.183
  694   1HG   PRO 152          2HG       PRO 152  -9.531  -2.373  -2.373
  695   2HG   PRO 152          1HG       PRO 152  -9.206  -1.240  -1.240
  696   1HD   PRO 152          1HD       PRO 152  -7.816  -3.527  -3.527
  697   2HD   PRO 152          2HD       PRO 152  -7.059  -2.043  -2.043
  698    H    ASP 153           H        ASP 153  -6.419  -0.922  -0.922
  699    HA   ASP 153           HA       ASP 153  -7.097  -3.005  -3.005
  700   1HB   ASP 153          2HB       ASP 153  -7.062  -0.073  -0.073
  701   2HB   ASP 153          1HB       ASP 153  -7.683  -1.149  -1.149
  702    H    ARG 154           H        ARG 154  -9.276  -0.252  -0.252
  703    HA   ARG 154           HA       ARG 154 -11.584  -1.960  -1.960
  704   1HB   ARG 154          1HB       ARG 154 -11.407  -0.393  -0.393
  705   2HB   ARG 154          2HB       ARG 154 -12.616  -1.584  -1.584
  706   1HG   ARG 154          1HG       ARG 154 -10.765  -3.293  -3.293
  707   2HG   ARG 154          2HG       ARG 154  -9.746  -2.061  -2.061
  708   1HD   ARG 154          2HD       ARG 154 -10.945  -2.066  -2.066
  709   2HD   ARG 154          1HD       ARG 154 -12.413  -2.661  -2.661
  710    HE   ARG 154           HE       ARG 154 -10.730  -4.747  -4.747
  711   1HH1  ARG 154          1HH2      ARG 154 -11.648  -2.769  -2.769
  712   2HH1  ARG 154          2HH2      ARG 154 -11.437  -4.036  -4.036
  713   1HH2  ARG 154          1HH1      ARG 154 -10.448  -6.425  -6.425
  714   2HH2  ARG 154          2HH1      ARG 154 -10.754  -6.116  -6.116
  715    H    ASN 155           H        ASN 155 -10.247   0.540   0.540
  716    HA   ASN 155           HA       ASN 155 -10.815   2.601   2.601
  717   1HB   ASN 155          1HB       ASN 155 -12.658   0.763   0.763
  718   2HB   ASN 155          2HB       ASN 155 -13.694   1.987   1.987
  719   1HD2  ASN 155          1HD2      ASN 155 -12.092   1.058   1.058
  720   2HD2  ASN 155          2HD2      ASN 155 -12.149   2.552   2.552
  721    H    HIS 156           H        HIS 156 -10.975   2.212   2.212
  722    HA   HIS 156           HA       HIS 156 -12.708   4.513   4.513
  723   1HB   HIS 156          2HB       HIS 156 -13.869   2.565   2.565
  724   2HB   HIS 156          1HB       HIS 156 -12.409   1.998   1.998
  725    HD1  HIS 156           HD1      HIS 156 -13.372   2.068   2.068
  726    HD2  HIS 156           HD2      HIS 156 -13.628   5.692   5.692
  727    HE1  HIS 156           HE1      HIS 156 -14.050   3.791   3.791
  728    H    GLU 157           H        GLU 157 -10.426   5.367   5.367
  729    HA   GLU 157           HA       GLU 157  -9.368   6.581   6.581
  730   1HB   GLU 157          2HB       GLU 157  -8.547   3.820   3.820
  731   2HB   GLU 157          1HB       GLU 157  -7.141   4.863   4.863
  732   1HG   GLU 157          2HG       GLU 157  -7.424   5.841   5.841
  733   2HG   GLU 157          1HG       GLU 157  -9.152   5.496   5.496
  734    H    ARG 158           H        ARG 158  -8.776   5.139   5.139
  735    HA   ARG 158           HA       ARG 158  -7.881   6.084   6.084
  736   1HB   ARG 158          2HB       ARG 158  -6.646   8.257   8.257
  737   2HB   ARG 158          1HB       ARG 158  -6.940   8.267   8.267
  738   1HG   ARG 158          2HG       ARG 158  -8.987   9.079   9.079
  739   2HG   ARG 158          1HG       ARG 158  -9.387   7.860   7.860
  740   1HD   ARG 158          1HD       ARG 158  -7.568   9.718   9.718
  741   2HD   ARG 158          2HD       ARG 158  -8.867  10.620  10.620
  742    HE   ARG 158           HE       ARG 158  -9.742   8.429   8.429
  743   1HH1  ARG 158          1HH2      ARG 158  -8.963  11.824  11.824
  744   2HH1  ARG 158          2HH2      ARG 158  -9.908  12.233  12.233
  745   1HH2  ARG 158          2HH1      ARG 158 -10.988   8.962   8.962
  746   2HH2  ARG 158          1HH1      ARG 158 -11.058  10.608  10.608
  747    H    GLY 159           H        GLY 159  -6.660   4.201   4.201
  748   1HA   GLY 159          1HA       GLY 159  -3.828   4.613   4.613
  749   2HA   GLY 159          2HA       GLY 159  -4.324   3.848   3.848
  750    H    PHE 160           H        PHE 160  -3.477   3.368   3.368
  751    HA   PHE 160           HA       PHE 160  -4.639   0.685   0.685
  752   1HB   PHE 160          2HB       PHE 160  -2.966   1.442   1.442
  753   2HB   PHE 160          1HB       PHE 160  -4.630   0.871   0.871
  754    HD1  PHE 160           HD1      PHE 160  -6.387   2.655   2.655
  755    HD2  PHE 160           HD2      PHE 160  -2.549   3.578   3.578
  756    HE1  PHE 160           HE1      PHE 160  -7.169   4.919   4.919
  757    HE2  PHE 160           HE2      PHE 160  -3.325   5.842   5.842
  758    HZ   PHE 160           HZ       PHE 160  -5.637   6.516   6.516
  759    H    SER 161           H        SER 161  -2.939  -0.834  -0.834
  760    HA   SER 161           HA       SER 161  -0.220  -0.612  -0.612
  761   1HB   SER 161          1HB       SER 161  -0.936  -2.916  -2.916
  762   2HB   SER 161          2HB       SER 161  -0.160  -1.433  -1.433
  763    HG   SER 161           HG       SER 161  -2.623  -2.294  -2.294
  764    H    TYR 162           H        TYR 162   0.823  -1.718  -1.718
  765    HA   TYR 162           HA       TYR 162  -0.540  -3.911  -3.911
  766   1HB   TYR 162          2HB       TYR 162   2.103  -2.680  -2.680
  767   2HB   TYR 162          1HB       TYR 162   1.000  -3.606  -3.606
  768    HD1  TYR 162           HD2      TYR 162  -1.374  -1.843  -1.843
  769    HD2  TYR 162           HD1      TYR 162   2.080  -1.052  -1.052
  770    HE1  TYR 162           HE2      TYR 162  -2.401   0.242   0.242
  771    HE2  TYR 162           HE1      TYR 162   1.060   1.037   1.037
  772    HH   TYR 162           HH2      TYR 162  -0.749   2.678   2.678
  773    H    ILE 163           H        ILE 163   1.811  -5.199  -5.199
  774    HA   ILE 163           HA       ILE 163   3.517  -6.000  -6.000
  775    HB   ILE 163           HB       ILE 163   2.484  -8.505  -8.505
  776   1HG1  ILE 163          1HG1      ILE 163   0.064  -6.816  -6.816
  777   2HG1  ILE 163          2HG1      ILE 163   0.455  -7.286  -7.286
  778   1HG2  ILE 163          1HG2      ILE 163   2.347  -6.453  -6.453
  779   2HG2  ILE 163          3HG2      ILE 163   1.382  -7.916  -7.916
  780   3HG2  ILE 163          2HG2      ILE 163   3.131  -8.034  -8.034
  781   1HD1  ILE 163          3HD1      ILE 163   0.612  -9.671  -9.671
  782   2HD1  ILE 163          2HD1      ILE 163  -0.658  -8.864  -8.864
  783   3HD1  ILE 163          1HD1      ILE 163  -0.822  -9.059  -9.059
  784    H    CYS 164           H        CYS 164   5.163  -7.392  -7.392
  785    HA   CYS 164           HA       CYS 164   5.061  -8.283  -8.283
  786   1HB   CYS 164          1HB       CYS 164   7.230  -7.398  -7.398
  787   2HB   CYS 164          2HB       CYS 164   6.267  -6.085  -6.085
  788    HG   CYS 164           HG       CYS 164   8.337  -7.554  -7.554
  789    H    ARG 165           H        ARG 165   6.806  -9.853  -9.853
  790    HA   ARG 165           HA       ARG 165   7.664 -11.369 -11.369
  791   1HB   ARG 165          2HB       ARG 165   7.229 -13.456 -13.456
  792   2HB   ARG 165          1HB       ARG 165   5.782 -12.558 -12.558
  793   1HG   ARG 165          1HG       ARG 165   5.235 -12.180 -12.180
  794   2HG   ARG 165          2HG       ARG 165   6.902 -11.831 -11.831
  795   1HD   ARG 165          2HD       ARG 165   7.388 -14.236 -14.236
  796   2HD   ARG 165          1HD       ARG 165   5.711 -14.569 -14.569
  797    HE   ARG 165           HE       ARG 165   5.641 -13.035 -13.035
  798   1HH1  ARG 165          2HH1      ARG 165   6.892 -16.135 -16.135
  799   2HH1  ARG 165          1HH1      ARG 165   6.721 -16.844 -16.844
  800   1HH2  ARG 165          2HH2      ARG 165   5.413 -13.959 -13.959
  801   2HH2  ARG 165          1HH2      ARG 165   5.880 -15.607 -15.607
  802    H    ASP 166           H        ASP 166   9.708 -10.305 -10.305
  803    HA   ASP 166           HA       ASP 166  11.815 -10.040 -10.040
  804   1HB   ASP 166          1HB       ASP 166  12.993 -12.095 -12.095
  805   2HB   ASP 166          2HB       ASP 166  11.769 -12.396 -12.396
  806    H    GLY 167           H        GLY 167  13.152 -11.334 -11.334
  807   1HA   GLY 167          2HA       GLY 167  13.120 -11.551 -11.551
  808   2HA   GLY 167          1HA       GLY 167  11.582 -10.700 -10.700
  809    H    THR 168           H        THR 168  11.923  -8.390  -8.390
  810    HA   THR 168           HA       THR 168  14.375  -7.169  -7.169
  811    HB   THR 168           HB       THR 168  12.031  -5.472  -5.472
  812    HG1  THR 168          1HG       THR 168  12.241  -7.832  -7.832
  813   1HG2  THR 168          3HG2      THR 168  14.328  -6.356  -6.356
  814   2HG2  THR 168          2HG2      THR 168  12.989  -5.410  -5.410
  815   3HG2  THR 168          1HG2      THR 168  13.983  -4.756  -4.756
  816    H    THR 169           H        THR 169  13.079  -7.837  -7.837
  817    HA   THR 169           HA       THR 169  13.554  -5.206  -5.206
  818    HB   THR 169           HB       THR 169  11.188  -6.999  -6.999
  819    HG1  THR 169          1HG       THR 169  10.119  -5.553  -5.553
  820   1HG2  THR 169          2HG2      THR 169  12.213  -6.029  -6.029
  821   2HG2  THR 169          1HG2      THR 169  11.791  -4.443  -4.443
  822   3HG2  THR 169          3HG2      THR 169  10.525  -5.624  -5.624
  823    H    ARG 170           H        ARG 170  12.371  -8.117  -8.117
  824    HA   ARG 170           HA       ARG 170  14.960  -9.007  -9.007
  825   1HB   ARG 170          1HB       ARG 170  13.225  -7.451  -7.451
  826   2HB   ARG 170          2HB       ARG 170  14.421  -8.609  -8.609
  827   1HG   ARG 170          1HG       ARG 170  16.073  -7.250  -7.250
  828   2HG   ARG 170          2HG       ARG 170  14.831  -5.997  -5.997
  829   1HD   ARG 170          1HD       ARG 170  15.124  -6.973  -6.973
  830   2HD   ARG 170          2HD       ARG 170  16.753  -6.744  -6.744
  831    HE   ARG 170           HE       ARG 170  15.028  -4.509  -4.509
  832   1HH1  ARG 170          1HH1      ARG 170  17.126  -6.021  -6.021
  833   2HH1  ARG 170          2HH1      ARG 170  17.473  -4.545  -4.545
  834   1HH2  ARG 170          1HH2      ARG 170  15.478  -2.559  -2.559
  835   2HH2  ARG 170          2HH2      ARG 170  16.536  -2.577  -2.577
  836    H    ARG 171           H        ARG 171  12.002  -9.013  -9.013
  837    HA   ARG 171           HA       ARG 171  11.487 -11.798 -11.798
  838   1HB   ARG 171          1HB       ARG 171  11.328 -12.512 -12.512
  839   2HB   ARG 171          2HB       ARG 171  12.889 -11.733 -11.733
  840   1HG   ARG 171          2HG       ARG 171  12.387 -10.025 -10.025
  841   2HG   ARG 171          1HG       ARG 171  10.682 -10.006 -10.006
  842   1HD   ARG 171          1HD       ARG 171  10.713 -10.743 -10.743
  843   2HD   ARG 171          2HD       ARG 171  10.477 -12.200 -12.200
  844    HE   ARG 171           HE       ARG 171  13.226 -11.823 -11.823
  845   1HH1  ARG 171          1HH1      ARG 171  10.302 -12.692 -12.692
  846   2HH1  ARG 171          2HH1      ARG 171  11.116 -13.661 -13.661
  847   1HH2  ARG 171          1HH2      ARG 171  14.308 -13.097 -13.097
  848   2HH2  ARG 171          2HH2      ARG 171  13.392 -13.892 -13.892
  849    H    TRP 172           H        TRP 172   9.469 -11.963 -11.963
  850    HA   TRP 172           HA       TRP 172   7.261 -10.875 -10.875
  851   1HB   TRP 172          1HB       TRP 172   7.122 -11.744 -11.744
  852   2HB   TRP 172          2HB       TRP 172   5.894 -11.882 -11.882
  853    HD1  TRP 172           HD1      TRP 172   6.908 -14.357 -14.357
  854    HE1  TRP 172           HE1      TRP 172   7.846 -16.435 -16.435
  855    HE3  TRP 172           HE3      TRP 172   8.128 -12.244 -12.244
  856    HZ2  TRP 172          2HZ       TRP 172   8.956 -17.095 -17.095
  857    HZ3  TRP 172           HZ3      TRP 172   9.124 -13.671 -13.671
  858    HH2  TRP 172           HH2      TRP 172   9.530 -16.046 -16.046
  859    H    MET 173           H        MET 173   8.347  -8.680  -8.680
  860    HA   MET 173           HA       MET 173   8.067  -7.187  -7.187
  861   1HB   MET 173          1HB       MET 173   8.906  -6.157  -6.157
  862   2HB   MET 173          2HB       MET 173   9.184  -5.399  -5.399
  863   1HG   MET 173          1HG       MET 173  10.386  -7.999  -7.999
  864   2HG   MET 173          2HG       MET 173  11.204  -6.437  -6.437
  865   1HE   MET 173          2HE       MET 173  10.801  -4.991  -4.991
  866   2HE   MET 173          1HE       MET 173   9.282  -5.803  -5.803
  867   3HE   MET 173          3HE       MET 173  10.629  -5.869  -5.869
  868    H    CYS 174           H        CYS 174   6.269  -6.177  -6.177
  869    HA   CYS 174           HA       CYS 174   4.114  -5.820  -5.820
  870   1HB   CYS 174          2HB       CYS 174   4.499  -5.321  -5.321
  871   2HB   CYS 174          1HB       CYS 174   3.170  -4.521  -4.521
  872    HG   CYS 174           HG       CYS 174   1.951  -6.671  -6.671
  873    H    HIS 175           H        HIS 175   3.035  -3.623  -3.623
  874    HA   HIS 175           HA       HIS 175   5.004  -1.448  -1.448
  875   1HB   HIS 175          2HB       HIS 175   3.286  -2.207  -2.207
  876   2HB   HIS 175          1HB       HIS 175   4.313  -0.781  -0.781
  877    HD1  HIS 175           HD1      HIS 175   6.447  -1.129  -1.129
  878    HD2  HIS 175           HD2      HIS 175   5.035  -4.644  -4.644
  879    HE1  HIS 175           HE1      HIS 175   8.108  -2.934  -2.934
  880    H    GLY 176           H        GLY 176   3.942  -0.388  -0.388
  881   1HA   GLY 176          1HA       GLY 176   1.126   0.204   0.204
  882   2HA   GLY 176          2HA       GLY 176   2.273   0.861   0.861
  883    H    PHE 177           H        PHE 177   0.253   1.675   1.675
  884    HA   PHE 177           HA       PHE 177   1.923   3.955   3.955
  885   1HB   PHE 177          1HB       PHE 177   0.053   2.191   2.191
  886   2HB   PHE 177          2HB       PHE 177  -0.060   3.903   3.903
  887    HD1  PHE 177           HD2      PHE 177   2.128   5.101   5.101
  888    HD2  PHE 177           HD1      PHE 177   1.671   0.871   0.871
  889    HE1  PHE 177           HE2      PHE 177   4.078   4.890   4.890
  890    HE2  PHE 177           HE1      PHE 177   3.620   0.651   0.651
  891    HZ   PHE 177           HZ       PHE 177   4.826   2.662   2.662
  892    H    LEU 178           H        LEU 178   1.397   5.687   5.687
  893    HA   LEU 178           HA       LEU 178  -1.360   6.131   6.131
  894   1HB   LEU 178          2HB       LEU 178   1.291   7.244   7.244
  895   2HB   LEU 178          1HB       LEU 178  -0.076   8.334   8.334
  896    HG   LEU 178           HG       LEU 178   0.212   5.674   5.674
  897   1HD1  LEU 178          2HD1      LEU 178   0.545   8.522   8.522
  898   2HD1  LEU 178          1HD1      LEU 178   0.135   7.248   7.248
  899   3HD1  LEU 178          3HD1      LEU 178   1.638   7.157   7.157
  900   1HD2  LEU 178          1HD2      LEU 178  -2.048   7.591   7.591
  901   2HD2  LEU 178          3HD2      LEU 178  -2.061   5.829   5.829
  902   3HD2  LEU 178          2HD2      LEU 178  -1.823   6.753   6.753
  903    H    ALA 179           H        ALA 179  -2.542   6.743   6.743
  904    HA   ALA 179           HA       ALA 179  -1.804   8.178   8.178
  905   1HB   ALA 179          3HB       ALA 179  -4.300   7.529   7.529
  906   2HB   ALA 179          2HB       ALA 179  -4.374   9.090   9.090
  907   3HB   ALA 179          1HB       ALA 179  -3.919   7.643   7.643
  908    H    CYS 180           H        CYS 180  -1.435  10.258  10.258
  909    HA   CYS 180           HA       CYS 180  -0.644  12.125  12.125
  910   1HB   CYS 180          1HB       CYS 180   0.063  12.297  12.297
  911   2HB   CYS 180          2HB       CYS 180  -1.594  12.556  12.556
  912    HG   CYS 180           HG       CYS 180  -0.406  14.703  14.703
  913    H    LYS 181           H        LYS 181  -3.383  12.850  12.850
  914    HA   LYS 181           HA       LYS 181  -4.571  14.703  14.703
  915   1HB   LYS 181          1HB       LYS 181  -6.034  12.965  12.965
  916   2HB   LYS 181          2HB       LYS 181  -6.529  14.546  14.546
  917   1HG   LYS 181          2HG       LYS 181  -4.198  13.912  13.912
  918   2HG   LYS 181          1HG       LYS 181  -5.661  14.812  14.812
  919   1HD   LYS 181          2HD       LYS 181  -4.847  16.329  16.329
  920   2HD   LYS 181          1HD       LYS 181  -3.278  15.660  15.660
  921   1HE   LYS 181          2HE       LYS 181  -3.479  16.499  16.499
  922   2HE   LYS 181          1HE       LYS 181  -5.158  16.968  16.968
  923   1HZ   LYS 181          1HZ       LYS 181  -3.988  18.360  18.360
  924   2HZ   LYS 181          3HZ       LYS 181  -2.701  18.303  18.303
  925   3HZ   LYS 181          2HZ       LYS 181  -4.186  18.961  18.961
  926    H    ASP 182           H        ASP 182  -4.798  11.229  11.229
  927    HA   ASP 182           HA       ASP 182  -5.695   9.723   9.723
  928   1HB   ASP 182          1HB       ASP 182  -5.350  12.144  12.144
  929   2HB   ASP 182          2HB       ASP 182  -6.647  11.109  11.109
  930    H    SER 183           H        SER 183  -7.359   9.852   9.852
  931    HA   SER 183           HA       SER 183  -9.972   9.983   9.983
  932   1HB   SER 183          2HB       SER 183  -9.176  12.250  12.250
  933   2HB   SER 183          1HB       SER 183  -9.942  11.377  11.377
  934    HG   SER 183           HG       SER 183 -11.431  12.679  12.679
  935    H    GLY 184           H        GLY 184  -8.063   8.048   8.048
  936   1HA   GLY 184          2HA       GLY 184  -8.097   6.358   6.358
  937   2HA   GLY 184          1HA       GLY 184  -9.738   6.180   6.180
  938    H    GLU 185           H        GLU 185  -8.572   8.950   8.950
  939    HA   GLU 185           HA       GLU 185 -10.294   8.096   8.096
  940   1HB   GLU 185          2HB       GLU 185 -10.817  10.200  10.200
  941   2HB   GLU 185          1HB       GLU 185  -9.771  10.988  10.988
  942   1HG   GLU 185          2HG       GLU 185 -11.221  10.287  10.287
  943   2HG   GLU 185          1HG       GLU 185 -12.246   9.416   9.416
  944    H    ARG 186           H        ARG 186  -7.126   8.753   8.753
  945    HA   ARG 186           HA       ARG 186  -6.428   9.351   9.351
  946   1HB   ARG 186          2HB       ARG 186  -5.011  10.292  10.292
  947   2HB   ARG 186          1HB       ARG 186  -4.478  10.599  10.599
  948   1HG   ARG 186          2HG       ARG 186  -6.201  12.088  12.088
  949   2HG   ARG 186          1HG       ARG 186  -7.199  11.455  11.455
  950   1HD   ARG 186          1HD       ARG 186  -6.440  13.098  13.098
  951   2HD   ARG 186          2HD       ARG 186  -4.845  12.350  12.350
  952    HE   ARG 186           HE       ARG 186  -4.180  14.123  14.123
  953   1HH1  ARG 186          2HH2      ARG 186  -7.613  13.713  13.713
  954   2HH1  ARG 186          1HH2      ARG 186  -7.777  15.091  15.091
  955   1HH2  ARG 186          1HH1      ARG 186  -4.386  15.939  15.939
  956   2HH2  ARG 186          2HH1      ARG 186  -5.942  16.358  16.358
  957    H    LEU 187           H        LEU 187  -6.120   7.132   7.132
  958    HA   LEU 187           HA       LEU 187  -3.958   5.783   5.783
  959   1HB   LEU 187          1HB       LEU 187  -4.089   6.323   6.323
  960   2HB   LEU 187          2HB       LEU 187  -3.125   5.014   5.014
  961    HG   LEU 187           HG       LEU 187  -1.960   6.781   6.781
  962   1HD1  LEU 187          2HD1      LEU 187  -3.903   8.416   8.416
  963   2HD1  LEU 187          1HD1      LEU 187  -2.268   8.968   8.968
  964   3HD1  LEU 187          3HD1      LEU 187  -2.800   8.833   8.833
  965   1HD2  LEU 187          3HD2      LEU 187  -1.670   6.170   6.170
  966   2HD2  LEU 187          2HD2      LEU 187  -0.462   6.207   6.207
  967   3HD2  LEU 187          1HD2      LEU 187  -0.929   7.700   7.700
  968    H    SER 188           H        SER 188  -6.466   5.480   5.480
  969    HA   SER 188           HA       SER 188  -6.603   2.675   2.675
  970   1HB   SER 188          1HB       SER 188  -7.654   3.836   3.836
  971   2HB   SER 188          2HB       SER 188  -8.633   4.800   4.800
  972    HG   SER 188           HG       SER 188 -10.022   3.273   3.273
  973    H    HIS 189           H        HIS 189  -8.596   5.059   5.059
  974    HA   HIS 189           HA       HIS 189  -9.904   2.998   2.998
  975   1HB   HIS 189          1HB       HIS 189 -10.639   5.516   5.516
  976   2HB   HIS 189          2HB       HIS 189 -10.120   5.794   5.794
  977    HD1  HIS 189           HD1      HIS 189 -13.119   5.255   5.255
  978    HD2  HIS 189           HD2      HIS 189 -11.375   3.463   3.463
  979    HE1  HIS 189           HE1      HIS 189 -15.002   4.167   4.167
  980    H    ALA 190           H        ALA 190  -7.228   5.200   5.200
  981    HA   ALA 190           HA       ALA 190  -7.002   4.850   4.850
  982   1HB   ALA 190          3HB       ALA 190  -6.002   6.671   6.671
  983   2HB   ALA 190          2HB       ALA 190  -4.583   5.700   5.700
  984   3HB   ALA 190          1HB       ALA 190  -5.496   6.494   6.494
  985    H    VAL 191           H        VAL 191  -4.666   4.024   4.024
  986    HA   VAL 191           HA       VAL 191  -3.110   2.267   2.267
  987    HB   VAL 191           HB       VAL 191  -3.812   1.878   1.878
  988   1HG1  VAL 191          3HG2      VAL 191  -1.837   0.744   0.744
  989   2HG1  VAL 191          2HG2      VAL 191  -1.143   1.369   1.369
  990   3HG1  VAL 191          1HG2      VAL 191  -2.415   0.150   0.150
  991   1HG2  VAL 191          3HG1      VAL 191  -2.734   4.175   4.175
  992   2HG2  VAL 191          2HG1      VAL 191  -2.816   3.797   3.797
  993   3HG2  VAL 191          1HG1      VAL 191  -1.389   3.350   3.350
  994    H    GLY 192           H        GLY 192  -6.008   1.493   1.493
  995   1HA   GLY 192          1HA       GLY 192  -6.016  -1.278  -1.278
  996   2HA   GLY 192          2HA       GLY 192  -7.422  -0.317  -0.317
  997    H    CYS 193           H        CYS 193  -6.995   1.438   1.438
  998    HA   CYS 193           HA       CYS 193  -8.546  -0.106  -0.106
  999   1HB   CYS 193          1HB       CYS 193  -7.766   2.726   2.726
 1000   2HB   CYS 193          2HB       CYS 193  -7.975   2.197   2.197
 1001    HG   CYS 193           HG       CYS 193 -10.352   2.601   2.601
 1002    H    ALA 194           H        ALA 194  -5.251   1.022   1.022
 1003    HA   ALA 194           HA       ALA 194  -4.289   0.739   0.739
 1004   1HB   ALA 194          2HB       ALA 194  -3.186   1.065   1.065
 1005   2HB   ALA 194          1HB       ALA 194  -2.370  -0.326  -0.326
 1006   3HB   ALA 194          3HB       ALA 194  -2.376   1.222   1.222
 1007    H    PHE 195           H        PHE 195  -4.692  -1.749  -1.749
 1008    HA   PHE 195           HA       PHE 195  -3.536  -3.888  -3.888
 1009   1HB   PHE 195          1HB       PHE 195  -5.811  -3.904  -3.904
 1010   2HB   PHE 195          2HB       PHE 195  -4.893  -5.325  -5.325
 1011    HD1  PHE 195           HD2      PHE 195  -4.800  -2.189  -2.189
 1012    HD2  PHE 195           HD1      PHE 195  -2.657  -5.696  -5.696
 1013    HE1  PHE 195           HE2      PHE 195  -3.145  -1.724  -1.724
 1014    HE2  PHE 195           HE1      PHE 195  -0.998  -5.238  -5.238
 1015    HZ   PHE 195           HZ       PHE 195  -1.241  -3.250  -3.250
 1016    H    ALA 196           H        ALA 196  -6.554  -2.304  -2.304
 1017    HA   ALA 196           HA       ALA 196  -8.182  -4.219  -4.219
 1018   1HB   ALA 196          3HB       ALA 196  -7.756  -1.408  -1.408
 1019   2HB   ALA 196          2HB       ALA 196  -9.121  -2.441  -2.441
 1020   3HB   ALA 196          1HB       ALA 196  -8.894  -1.924  -1.924
 1021    H    VAL 197           H        VAL 197  -5.622  -2.431  -2.431
 1022    HA   VAL 197           HA       VAL 197  -5.930  -3.841  -3.841
 1023    HB   VAL 197           HB       VAL 197  -3.618  -2.822  -2.822
 1024   1HG1  VAL 197          1HG1      VAL 197  -6.004  -1.939  -1.939
 1025   2HG1  VAL 197          3HG1      VAL 197  -5.607  -0.703  -0.703
 1026   3HG1  VAL 197          2HG1      VAL 197  -4.590  -0.910  -0.910
 1027   1HG2  VAL 197          2HG2      VAL 197  -3.203  -2.515  -2.515
 1028   2HG2  VAL 197          1HG2      VAL 197  -2.785  -1.167  -1.167
 1029   3HG2  VAL 197          3HG2      VAL 197  -4.274  -1.119  -1.119
 1030    H    CYS 198           H        CYS 198  -3.872  -4.166  -4.166
 1031    HA   CYS 198           HA       CYS 198  -1.867  -5.811  -5.811
 1032   1HB   CYS 198          1HB       CYS 198  -2.259  -4.995  -4.995
 1033   2HB   CYS 198          2HB       CYS 198  -3.470  -6.257  -6.257
 1034    HG   CYS 198           HG       CYS 198  -1.679  -7.810  -7.810
 1035    H    LEU 199           H        LEU 199  -5.175  -6.811  -6.811
 1036    HA   LEU 199           HA       LEU 199  -4.583  -9.473  -9.473
 1037   1HB   LEU 199          2HB       LEU 199  -6.906  -9.969  -9.969
 1038   2HB   LEU 199          1HB       LEU 199  -5.498  -9.855  -9.855
 1039    HG   LEU 199           HG       LEU 199  -7.087  -7.377  -7.377
 1040   1HD1  LEU 199          1HD2      LEU 199  -7.995  -9.650  -9.650
 1041   2HD1  LEU 199          3HD2      LEU 199  -8.663  -8.018  -8.018
 1042   3HD1  LEU 199          2HD2      LEU 199  -8.830  -9.035  -9.035
 1043   1HD2  LEU 199          1HD1      LEU 199  -4.960  -7.667  -7.667
 1044   2HD2  LEU 199          3HD1      LEU 199  -6.325  -6.820  -6.820
 1045   3HD2  LEU 199          2HD1      LEU 199  -6.001  -8.500  -8.500
 1046    H    GLU 200           H        GLU 200  -6.528  -6.615  -6.615
 1047    HA   GLU 200           HA       GLU 200  -7.926  -5.895  -5.895
 1048   1HB   GLU 200          2HB       GLU 200  -5.805  -6.800  -6.800
 1049   2HB   GLU 200          1HB       GLU 200  -6.936  -8.017  -8.017
 1050   1HG   GLU 200          2HG       GLU 200  -8.422  -6.091  -6.091
 1051   2HG   GLU 200          1HG       GLU 200  -7.031  -5.048  -5.048
 1052    H    ARG 201           H        ARG 201 -10.037  -6.196  -6.196
 1053    HA   ARG 201           HA       ARG 201 -12.088  -7.161  -7.161
 1054   1HB   ARG 201          1HB       ARG 201 -10.601  -8.399  -8.399
 1055   2HB   ARG 201          2HB       ARG 201 -11.121  -9.776  -9.776
 1056   1HG   ARG 201          1HG       ARG 201 -13.465  -8.526  -8.526
 1057   2HG   ARG 201          2HG       ARG 201 -12.693  -7.951  -7.951
 1058   1HD   ARG 201          2HD       ARG 201 -12.988 -10.837 -10.837
 1059   2HD   ARG 201          1HD       ARG 201 -13.981 -10.005 -10.005
 1060    HE   ARG 201           HE       ARG 201 -11.400  -9.676  -9.676
 1061   1HH1  ARG 201          1HH2      ARG 201 -13.459 -12.384 -12.384
 1062   2HH1  ARG 201          2HH2      ARG 201 -12.704 -13.439 -13.439
 1063   1HH2  ARG 201          1HH1      ARG 201 -10.396 -11.056 -11.056
 1064   2HH2  ARG 201          2HH1      ARG 201 -10.961 -12.685 -12.685
 1065    H    LYS 202           H        LYS 202 -10.721  -7.351  -7.351
 1066    HA   LYS 202           HA       LYS 202 -10.685  -8.467  -8.467
 1067   1HB   LYS 202          1HB       LYS 202 -13.211  -9.857  -9.857
 1068   2HB   LYS 202          2HB       LYS 202 -12.778  -9.160  -9.160
 1069   1HG   LYS 202          2HG       LYS 202 -13.328  -7.523  -7.523
 1070   2HG   LYS 202          1HG       LYS 202 -14.550  -7.930  -7.930
 1071   1HD   LYS 202          1HD       LYS 202 -12.014  -6.715  -6.715
 1072   2HD   LYS 202          2HD       LYS 202 -13.160  -5.671  -5.671
 1073   1HE   LYS 202          1HE       LYS 202 -13.899  -7.425  -7.425
 1074   2HE   LYS 202          2HE       LYS 202 -13.413  -5.738  -5.738
 1075   1HZ   LYS 202          3HZ       LYS 202 -15.299  -5.434  -5.434
 1076   2HZ   LYS 202          2HZ       LYS 202 -15.880  -6.863  -6.863
 1077   3HZ   LYS 202          1HZ       LYS 202 -15.651  -5.489  -5.489
 1078    H    GLN 203           H        GLN 203  -9.412  -9.819  -9.819
 1079    HA   GLN 203           HA       GLN 203  -9.937 -12.633 -12.633
 1080   1HB   GLN 203          1HB       GLN 203  -8.959 -11.219 -11.219
 1081   2HB   GLN 203          2HB       GLN 203  -7.443 -11.720 -11.720
 1082   1HG   GLN 203          2HG       GLN 203  -9.356 -13.896 -13.896
 1083   2HG   GLN 203          1HG       GLN 203  -8.928 -13.165 -13.165
 1084   1HE2  GLN 203          1HE2      GLN 203  -6.569 -15.923 -15.923
 1085   2HE2  GLN 203          2HE2      GLN 203  -8.289 -15.797 -15.797
 1086    H    ARG 204           H        ARG 204  -9.542 -12.315 -12.315
 1087    HA   ARG 204           HA       ARG 204  -7.037 -11.883 -11.883
 1088   1HB   ARG 204          2HB       ARG 204  -8.985 -13.931 -13.931
 1089   2HB   ARG 204          1HB       ARG 204  -7.838 -12.963 -12.963
 1090   1HG   ARG 204          2HG       ARG 204  -9.582 -11.655 -11.655
 1091   2HG   ARG 204          1HG       ARG 204  -9.368 -11.045 -11.045
 1092   1HD   ARG 204          1HD       ARG 204 -11.612 -11.599 -11.599
 1093   2HD   ARG 204          2HD       ARG 204 -10.879 -13.047 -13.047
 1094    HE   ARG 204           HE       ARG 204 -10.941 -13.615 -13.615
 1095   1HH1  ARG 204          2HH2      ARG 204 -13.357 -12.460 -12.460
 1096   2HH1  ARG 204          1HH2      ARG 204 -14.673 -13.215 -13.215
 1097   1HH2  ARG 204          2HH1      ARG 204 -12.667 -14.613 -14.613
 1098   2HH2  ARG 204          1HH1      ARG 204 -14.281 -14.440 -14.440
 1099    H    ARG 205           H        ARG 205  -8.278 -14.654 -14.654
 1100    HA   ARG 205           HA       ARG 205  -7.309 -16.582 -16.582
 1101   1HB   ARG 205          2HB       ARG 205  -5.482 -14.912 -14.912
 1102   2HB   ARG 205          1HB       ARG 205  -4.654 -15.424 -15.424
 1103   1HG   ARG 205          1HG       ARG 205  -4.908 -17.805 -17.805
 1104   2HG   ARG 205          2HG       ARG 205  -5.212 -16.977 -16.977
 1105   1HD   ARG 205          2HD       ARG 205  -2.734 -16.984 -16.984
 1106   2HD   ARG 205          1HD       ARG 205  -2.915 -17.376 -17.376
 1107    HE   ARG 205           HE       ARG 205  -3.610 -14.767 -14.767
 1108   1HH1  ARG 205          1HH1      ARG 205  -0.853 -16.557 -16.557
 1109   2HH1  ARG 205          2HH1      ARG 205   0.247 -15.230 -15.230
 1110   1HH2  ARG 205          1HH2      ARG 205  -2.173 -13.012 -13.012
 1111   2HH2  ARG 205          2HH2      ARG 205  -0.504 -13.214 -13.214
 1112    H    THR 206           H        THR 206  -8.356 -16.625 -16.625
 1113    HA   THR 206           HA       THR 206  -6.712 -17.485 -17.485
 1114    HB   THR 206           HB       THR 206  -8.721 -18.528 -18.528
 1115    HG1  THR 206          1HG       THR 206 -10.437 -18.978 -18.978
 1116   1HG2  THR 206          3HG2      THR 206  -8.914 -15.824 -15.824
 1117   2HG2  THR 206          2HG2      THR 206 -10.366 -16.537 -16.537
 1118   3HG2  THR 206          1HG2      THR 206  -8.921 -16.323 -16.323
 1119    H    ARG 207           H        ARG 207  -8.289 -19.383 -19.383
 1120    HA   ARG 207           HA       ARG 207  -6.233 -21.306 -21.306
 1121   1HB   ARG 207          1HB       ARG 207  -8.155 -21.724 -21.724
 1122   2HB   ARG 207          2HB       ARG 207  -8.403 -22.958 -22.958
 1123   1HG   ARG 207          1HG       ARG 207  -6.480 -24.011 -24.011
 1124   2HG   ARG 207          2HG       ARG 207  -5.602 -22.504 -22.504
 1125   1HD   ARG 207          1HD       ARG 207  -5.974 -22.561 -22.561
 1126   2HD   ARG 207          2HD       ARG 207  -7.657 -23.045 -23.045
 1127    HE   ARG 207           HE       ARG 207  -7.015 -25.175 -25.175
 1128   1HH1  ARG 207          2HH2      ARG 207  -4.248 -23.444 -23.444
 1129   2HH1  ARG 207          1HH2      ARG 207  -3.159 -24.772 -24.772
 1130   1HH2  ARG 207          1HH1      ARG 207  -5.588 -26.928 -26.928
 1131   2HH2  ARG 207          2HH1      ARG 207  -3.921 -26.754 -26.754
 1132    H    ALA 208           H        ALA 208  -9.778 -21.119 -21.119
 1133    HA   ALA 208           HA       ALA 208 -11.161 -21.562 -21.562
 1134   1HB   ALA 208          3HB       ALA 208  -9.441 -19.852 -19.852
 1135   2HB   ALA 208          2HB       ALA 208  -8.921 -21.239 -21.239
 1136   3HB   ALA 208          1HB       ALA 208 -10.590 -20.674 -20.674
 1137    H    ALA 209           H        ALA 209 -11.771 -23.641 -23.641
 1138    HA   ALA 209           HA       ALA 209 -10.563 -25.504 -25.504
 1139   1HB   ALA 209          2HB       ALA 209  -9.385 -25.458 -25.458
 1140   2HB   ALA 209          1HB       ALA 209 -10.558 -26.767 -26.767
 1141   3HB   ALA 209          3HB       ALA 209  -9.347 -26.808 -26.808
 1142    H    ALA 210           H        ALA 210 -12.325 -25.922 -25.922
 1143    HA   ALA 210           HA       ALA 210 -14.376 -26.785 -26.785
 1144   1HB   ALA 210          2HB       ALA 210 -15.021 -24.862 -24.862
 1145   2HB   ALA 210          1HB       ALA 210 -15.212 -26.071 -26.071
 1146   3HB   ALA 210          3HB       ALA 210 -16.204 -26.156 -26.156
 1147   1H    ALA   1          2HT       ALA   1 -12.750  -8.285  -8.285
 1148   2H    ALA   1          1HT       ALA   1 -11.419  -7.843  -7.843
 1149   3H    ALA   1          3HT       ALA   1 -13.010  -7.814  -7.814
 1150    HA   ALA   1           HA       ALA   1 -13.578  -5.943  -5.943
 1151   1HB   ALA   1          2HB       ALA   1 -11.232  -5.905  -5.905
 1152   2HB   ALA   1          1HB       ALA   1 -10.783  -5.102  -5.102
 1153   3HB   ALA   1          3HB       ALA   1 -12.122  -4.480  -4.480
 1154    H    TYR   2           H        TYR   2 -10.429  -6.655  -6.655
 1155    HA   TYR   2           HA       TYR   2 -11.519  -6.879  -6.879
 1156   1HB   TYR   2          1HB       TYR   2 -10.413  -4.810  -4.810
 1157   2HB   TYR   2          2HB       TYR   2 -11.860  -4.534  -4.534
 1158    HD1  TYR   2           HD1      TYR   2  -9.085  -5.350  -5.350
 1159    HD2  TYR   2           HD2      TYR   2 -10.872  -2.146  -2.146
 1160    HE1  TYR   2           HE1      TYR   2  -7.854  -3.740  -3.740
 1161    HE2  TYR   2           HE2      TYR   2  -9.645  -0.526  -0.526
 1162    HH   TYR   2           HH2      TYR   2  -8.606  -0.633  -0.633
 1163    H    ILE   3           H        ILE   3 -10.182  -8.747  -8.747
 1164    HA   ILE   3           HA       ILE   3  -8.362  -9.979  -9.979
 1165    HB   ILE   3           HB       ILE   3  -6.796  -7.559  -7.559
 1166   1HG1  ILE   3          2HG1      ILE   3  -8.835  -6.960  -6.960
 1167   2HG1  ILE   3          1HG1      ILE   3  -7.945  -7.801  -7.801
 1168   1HG2  ILE   3          2HG2      ILE   3  -6.485 -10.320 -10.320
 1169   2HG2  ILE   3          1HG2      ILE   3  -6.886  -9.745  -9.745
 1170   3HG2  ILE   3          3HG2      ILE   3  -5.509  -9.061  -9.061
 1171   1HD1  ILE   3          1HD1      ILE   3  -9.408  -9.784  -9.784
 1172   2HD1  ILE   3          3HD1      ILE   3 -10.503  -8.407  -8.407
 1173   3HD1  ILE   3          2HD1      ILE   3  -9.731  -9.066  -9.066
 1174    H    GLY   4           H        GLY   4  -6.972  -6.892  -6.892
 1175   1HA   GLY   4          2HA       GLY   4  -4.762  -7.853  -7.853
 1176   2HA   GLY   4          1HA       GLY   4  -5.654  -6.443  -6.443
 1177    HA   PRO   5           HA       PRO   5  -6.789  -8.359  -8.359
 1178   1HB   PRO   5          2HB       PRO   5  -9.635  -7.756  -7.756
 1179   2HB   PRO   5          1HB       PRO   5  -8.652  -7.285  -7.285
 1180   1HG   PRO   5          1HG       PRO   5  -9.295  -5.508  -5.508
 1181   2HG   PRO   5          2HG       PRO   5  -7.684  -5.504  -5.504
 1182   1HD   PRO   5          2HD       PRO   5  -8.536  -6.548  -6.548
 1183   2HD   PRO   5          1HD       PRO   5  -7.070  -5.650  -5.650
 1184   1HN   PTR   6           H        PTR   6  -8.781  -9.152  -9.152
 1185    HA   PTR   6           HA       PTR   6  -8.657 -11.959 -11.959
 1186   1HB   PTR   6          1HB       PTR   6 -11.386 -10.738 -10.738
 1187   2HB   PTR   6          2HB       PTR   6 -10.686 -10.981 -10.981
 1188    HD1  PTR   6           HD1      PTR   6 -12.011 -12.751 -12.751
 1189    HD2  PTR   6           HD2      PTR   6 -11.029 -13.126 -13.126
 1190    HE1  PTR   6           HE1      PTR   6 -11.660 -15.176 -15.176
 1191    HE2  PTR   6           HE2      PTR   6 -10.568 -15.544 -15.544
 1192    H    LEU   7           H        LEU   7  -8.435 -13.122 -13.122
 1193    HA   LEU   7           HA       LEU   7  -8.372 -11.905 -11.905
 1194   1HB   LEU   7          2HB       LEU   7  -7.793 -14.499 -14.499
 1195   2HB   LEU   7          1HB       LEU   7  -8.583 -14.663 -14.663
 1196    HG   LEU   7           HG       LEU   7  -6.809 -13.026 -13.026
 1197   1HD1  LEU   7          2HD1      LEU   7  -6.120 -12.436 -12.436
 1198   2HD1  LEU   7          1HD1      LEU   7  -5.254 -13.972 -13.972
 1199   3HD1  LEU   7          3HD1      LEU   7  -4.834 -12.719 -12.719
 1200   1HD2  LEU   7          2HD2      LEU   7  -6.924 -15.494 -15.494
 1201   2HD2  LEU   7          1HD2      LEU   7  -5.304 -14.801 -14.801
 1202   3HD2  LEU   7          3HD2      LEU   7  -5.815 -15.708 -15.708

  Start of MODEL    4
    1    HA   SER  64           HA       SER  64 -18.263  11.273  11.273
    2   1HB   SER  64          2HB       SER  64 -20.435  13.336  13.336
    3   2HB   SER  64          1HB       SER  64 -20.243  12.108  12.108
    4    HG   SER  64           HG       SER  64 -20.942  11.663  11.663
    5    H    LYS  65           H        LYS  65 -16.604  12.242  12.242
    6    HA   LYS  65           HA       LYS  65 -16.486  15.173  15.173
    7   1HB   LYS  65          1HB       LYS  65 -14.094  13.383  13.383
    8   2HB   LYS  65          2HB       LYS  65 -14.084  15.140  15.140
    9   1HG   LYS  65          1HG       LYS  65 -15.547  15.183  15.183
   10   2HG   LYS  65          2HG       LYS  65 -15.399  13.426  13.426
   11   1HD   LYS  65          2HD       LYS  65 -13.685  13.937  13.937
   12   2HD   LYS  65          1HD       LYS  65 -12.801  14.092  14.092
   13   1HE   LYS  65          1HE       LYS  65 -14.123  16.556  16.556
   14   2HE   LYS  65          2HE       LYS  65 -13.263  16.064  16.064
   15   1HZ   LYS  65          3HZ       LYS  65 -11.722  15.725  15.725
   16   2HZ   LYS  65          2HZ       LYS  65 -12.158  17.334  17.334
   17   3HZ   LYS  65          1HZ       LYS  65 -11.301  16.471  16.471
   18    HA   PRO  66           HA       PRO  66 -16.153  13.715  13.715
   19   1HB   PRO  66          2HB       PRO  66 -17.024  16.460  16.460
   20   2HB   PRO  66          1HB       PRO  66 -17.762  14.927  14.927
   21   1HG   PRO  66          2HG       PRO  66 -18.882  16.543  16.543
   22   2HG   PRO  66          1HG       PRO  66 -18.996  14.776  14.776
   23   1HD   PRO  66          1HD       PRO  66 -17.189  16.653  16.653
   24   2HD   PRO  66          2HD       PRO  66 -18.073  15.232  15.232
   25    H    HIS  67           H        HIS  67 -14.520  16.092  16.092
   26    HA   HIS  67           HA       HIS  67 -12.772  16.719  16.719
   27   1HB   HIS  67          1HB       HIS  67 -13.994  18.530  18.530
   28   2HB   HIS  67          2HB       HIS  67 -12.582  18.255  18.255
   29    HD1  HIS  67           HD1      HIS  67 -11.619  20.620  20.620
   30    HD2  HIS  67           HD2      HIS  67 -12.171  18.284  18.284
   31    HE1  HIS  67           HE1      HIS  67 -10.408  21.800  21.800
   32    H    GLN  68           H        GLN  68 -10.600  16.320  16.320
   33    HA   GLN  68           HA       GLN  68  -8.632  15.423  15.423
   34   1HB   GLN  68          1HB       GLN  68  -9.691  16.649  16.649
   35   2HB   GLN  68          2HB       GLN  68  -9.237  15.032  15.032
   36   1HG   GLN  68          1HG       GLN  68  -7.284  16.570  16.570
   37   2HG   GLN  68          2HG       GLN  68  -7.543  17.055  17.055
   38   1HE2  GLN  68          2HE2      GLN  68  -6.473  13.767  13.767
   39   2HE2  GLN  68          1HE2      GLN  68  -7.866  14.780  14.780
   40    H    TRP  69           H        TRP  69 -11.103  14.049  14.049
   41    HA   TRP  69           HA       TRP  69 -10.162  11.442  11.442
   42   1HB   TRP  69          2HB       TRP  69 -12.742  12.781  12.781
   43   2HB   TRP  69          1HB       TRP  69 -12.857  11.066  11.066
   44    HD1  TRP  69           HD1      TRP  69  -9.804  12.281  12.281
   45    HE1  TRP  69           HE1      TRP  69  -9.930  11.411  11.411
   46    HE3  TRP  69           HE3      TRP  69 -14.558  10.407  10.407
   47    HZ2  TRP  69          2HZ       TRP  69 -11.799  10.103  10.103
   48    HZ3  TRP  69           HZ3      TRP  69 -15.440   9.362   9.362
   49    HH2  TRP  69           HH2      TRP  69 -14.088   9.214   9.214
   50    H    GLN  70           H        GLN  70 -12.494  12.936  12.936
   51    HA   GLN  70           HA       GLN  70 -13.297  10.794  10.794
   52   1HB   GLN  70          1HB       GLN  70 -13.861  12.321  12.321
   53   2HB   GLN  70          2HB       GLN  70 -14.030  13.199  13.199
   54   1HG   GLN  70          2HG       GLN  70 -12.019  14.392  14.392
   55   2HG   GLN  70          1HG       GLN  70 -11.561  13.348  13.348
   56   1HE2  GLN  70          1HE2      GLN  70 -14.028  14.816  14.816
   57   2HE2  GLN  70          2HE2      GLN  70 -13.491  13.258  13.258
   58    H    ALA  71           H        ALA  71 -10.265  12.542  12.542
   59    HA   ALA  71           HA       ALA  71  -9.388  11.098  11.098
   60   1HB   ALA  71          2HB       ALA  71  -8.716  13.413  13.413
   61   2HB   ALA  71          1HB       ALA  71  -7.881  12.974  12.974
   62   3HB   ALA  71          3HB       ALA  71  -7.307  12.352  12.352
   63    H    ASP  72           H        ASP  72  -8.143  11.344  11.344
   64    HA   ASP  72           HA       ASP  72  -6.206   9.424   9.424
   65   1HB   ASP  72          2HB       ASP  72  -8.102   9.932   9.932
   66   2HB   ASP  72          1HB       ASP  72  -6.554   9.097   9.097
   67    H    GLU  73           H        GLU  73  -9.657   8.942   8.942
   68    HA   GLU  73           HA       GLU  73  -9.835   6.289   6.289
   69   1HB   GLU  73          1HB       GLU  73 -11.531   8.197   8.197
   70   2HB   GLU  73          2HB       GLU  73 -11.618   6.723   6.723
   71   1HG   GLU  73          2HG       GLU  73 -12.644   5.552   5.552
   72   2HG   GLU  73          1HG       GLU  73 -11.815   6.419   6.419
   73    H    GLU  74           H        GLU  74  -9.028   7.667   7.667
   74    HA   GLU  74           HA       GLU  74  -8.579   5.000   5.000
   75   1HB   GLU  74          1HB       GLU  74  -9.746   6.339   6.339
   76   2HB   GLU  74          2HB       GLU  74  -8.718   7.735   7.735
   77   1HG   GLU  74          1HG       GLU  74  -7.361   5.364   5.364
   78   2HG   GLU  74          2HG       GLU  74  -8.545   6.123   6.123
   79    H    ALA  75           H        ALA  75  -6.831   7.483   7.483
   80    HA   ALA  75           HA       ALA  75  -4.338   7.286   7.286
   81   1HB   ALA  75          2HB       ALA  75  -5.006   7.923   7.923
   82   2HB   ALA  75          1HB       ALA  75  -3.403   8.104   8.104
   83   3HB   ALA  75          3HB       ALA  75  -4.750   9.071   9.071
   84    H    VAL  76           H        VAL  76  -5.811   5.419   5.419
   85    HA   VAL  76           HA       VAL  76  -3.578   3.738   3.738
   86    HB   VAL  76           HB       VAL  76  -6.539   3.398   3.398
   87   1HG1  VAL  76          1HG1      VAL  76  -4.415   1.409   1.409
   88   2HG1  VAL  76          3HG1      VAL  76  -5.302   1.622   1.622
   89   3HG1  VAL  76          2HG1      VAL  76  -6.167   1.206   1.206
   90   1HG2  VAL  76          1HG2      VAL  76  -4.746   4.987   4.987
   91   2HG2  VAL  76          3HG2      VAL  76  -6.188   4.312   4.312
   92   3HG2  VAL  76          2HG2      VAL  76  -4.628   3.511   3.511
   93    H    ARG  77           H        ARG  77  -6.509   3.372   3.372
   94    HA   ARG  77           HA       ARG  77  -6.137   0.847   0.847
   95   1HB   ARG  77          2HB       ARG  77  -7.174   3.265   3.265
   96   2HB   ARG  77          1HB       ARG  77  -7.524   1.590   1.590
   97   1HG   ARG  77          2HG       ARG  77  -8.456   1.502   1.502
   98   2HG   ARG  77          1HG       ARG  77  -8.559   3.251   3.251
   99   1HD   ARG  77          1HD       ARG  77  -9.619   1.614   1.614
  100   2HD   ARG  77          2HD       ARG  77 -10.526   1.574   1.574
  101    HE   ARG  77           HE       ARG  77 -10.355   3.751   3.751
  102   1HH1  ARG  77          2HH1      ARG  77 -10.861   2.898   2.898
  103   2HH1  ARG  77          1HH1      ARG  77 -11.767   4.329   4.329
  104   1HH2  ARG  77          2HH2      ARG  77 -11.548   5.638   5.638
  105   2HH2  ARG  77          1HH2      ARG  77 -12.157   5.886   5.886
  106    H    SER  78           H        SER  78  -5.050   3.935   3.935
  107    HA   SER  78           HA       SER  78  -3.515   2.598   2.598
  108   1HB   SER  78          2HB       SER  78  -4.517   5.230   5.230
  109   2HB   SER  78          1HB       SER  78  -2.772   5.345   5.345
  110    HG   SER  78           HG       SER  78  -3.147   5.069   5.069
  111    H    ALA  79           H        ALA  79  -2.955   2.993   2.993
  112    HA   ALA  79           HA       ALA  79  -1.126   2.817   2.817
  113   1HB   ALA  79          1HB       ALA  79  -0.037   1.949   1.949
  114   2HB   ALA  79          3HB       ALA  79   1.079   2.243   2.243
  115   3HB   ALA  79          2HB       ALA  79  -0.205   1.046   1.046
  116    H    THR  80           H        THR  80  -1.398   5.100   5.100
  117    HA   THR  80           HA       THR  80   0.975   6.560   6.560
  118    HB   THR  80           HB       THR  80   0.549   6.913   6.913
  119    HG1  THR  80          1HG       THR  80   1.140   8.857   8.857
  120   1HG2  THR  80          3HG2      THR  80  -2.271   7.331   7.331
  121   2HG2  THR  80          2HG2      THR  80  -1.659   8.171   8.171
  122   3HG2  THR  80          1HG2      THR  80  -1.612   6.409   6.409
  123    H    CYS  81           H        CYS  81  -0.738   5.980   5.980
  124    HA   CYS  81           HA       CYS  81  -2.050   8.550   8.550
  125   1HB   CYS  81          2HB       CYS  81  -3.044   5.990   5.990
  126   2HB   CYS  81          1HB       CYS  81  -2.511   6.371   6.371
  127    HG   CYS  81           HG       CYS  81  -5.055   7.105   7.105
  128    H    SER  82           H        SER  82  -1.898   9.285   9.285
  129    HA   SER  82           HA       SER  82   0.229   8.347   8.347
  130   1HB   SER  82          2HB       SER  82   1.291  10.830  10.830
  131   2HB   SER  82          1HB       SER  82   1.880   9.412   9.412
  132    HG   SER  82           HG       SER  82   0.282  11.528  11.528
  133    H    PHE  83           H        PHE  83   0.212   9.271   9.271
  134    HA   PHE  83           HA       PHE  83  -1.381  11.608  11.608
  135   1HB   PHE  83          1HB       PHE  83  -2.275   8.876   8.876
  136   2HB   PHE  83          2HB       PHE  83  -2.857  10.380  10.380
  137    HD1  PHE  83           HD1      PHE  83  -3.975  12.055  12.055
  138    HD2  PHE  83           HD2      PHE  83  -3.338   7.957   7.957
  139    HE1  PHE  83           HE1      PHE  83  -5.724  12.188  12.188
  140    HE2  PHE  83           HE2      PHE  83  -5.084   8.083   8.083
  141    HZ   PHE  83           HZ       PHE  83  -6.281  10.201  10.201
  142    H    SER  84           H        SER  84  -0.541  12.655  12.655
  143    HA   SER  84           HA       SER  84   1.803  11.896  11.896
  144   1HB   SER  84          1HB       SER  84   0.520  14.198  14.198
  145   2HB   SER  84          2HB       SER  84  -0.135  13.650  13.650
  146    HG   SER  84           HG       SER  84   2.136  13.296  13.296
  147    H    VAL  85           H        VAL  85   2.194  11.364  11.364
  148    HA   VAL  85           HA       VAL  85   0.143  10.340  10.340
  149    HB   VAL  85           HB       VAL  85   0.079   8.576   8.576
  150   1HG1  VAL  85          1HG2      VAL  85   2.995   8.359   8.359
  151   2HG1  VAL  85          3HG2      VAL  85   2.098   6.993   6.993
  152   3HG1  VAL  85          2HG2      VAL  85   2.222   8.495   8.495
  153   1HG2  VAL  85          3HG1      VAL  85  -0.402   8.101   8.101
  154   2HG2  VAL  85          2HG1      VAL  85   0.197   6.702   6.702
  155   3HG2  VAL  85          1HG1      VAL  85   1.271   7.580   7.580
  156    H    LYS  86           H        LYS  86   0.984   9.266   9.266
  157    HA   LYS  86           HA       LYS  86   3.742  10.117  10.117
  158   1HB   LYS  86          2HB       LYS  86   1.258   9.960   9.960
  159   2HB   LYS  86          1HB       LYS  86   2.815   9.764   9.764
  160   1HG   LYS  86          2HG       LYS  86   2.772  12.053  12.053
  161   2HG   LYS  86          1HG       LYS  86   1.531  12.144  12.144
  162   1HD   LYS  86          1HD       LYS  86   3.631  11.327  11.327
  163   2HD   LYS  86          2HD       LYS  86   4.472  12.251  12.251
  164   1HE   LYS  86          1HE       LYS  86   2.821  14.117  14.117
  165   2HE   LYS  86          2HE       LYS  86   2.346  13.201  13.201
  166   1HZ   LYS  86          3HZ       LYS  86   5.128  13.360  13.360
  167   2HZ   LYS  86          2HZ       LYS  86   4.544  14.917  14.917
  168   3HZ   LYS  86          1HZ       LYS  86   4.050  14.091  14.091
  169    H    TYR  87           H        TYR  87   4.131   7.978   7.978
  170    HA   TYR  87           HA       TYR  87   3.548   5.499   5.499
  171   1HB   TYR  87          1HB       TYR  87   4.894   6.395   6.395
  172   2HB   TYR  87          2HB       TYR  87   6.151   5.592   5.592
  173    HD1  TYR  87           HD2      TYR  87   6.040   3.198   3.198
  174    HD2  TYR  87           HD1      TYR  87   3.066   5.140   5.140
  175    HE1  TYR  87           HE2      TYR  87   5.268   1.013   1.013
  176    HE2  TYR  87           HE1      TYR  87   2.284   2.960   2.960
  177    HH   TYR  87           HH2      TYR  87   3.963   0.246   0.246
  178    H    LEU  88           H        LEU  88   4.271   4.500   4.500
  179    HA   LEU  88           HA       LEU  88   6.306   5.713   5.713
  180   1HB   LEU  88          1HB       LEU  88   4.636   3.225   3.225
  181   2HB   LEU  88          2HB       LEU  88   5.898   3.633   3.633
  182    HG   LEU  88           HG       LEU  88   4.742   5.661   5.661
  183   1HD1  LEU  88          3HD2      LEU  88   2.810   4.910   4.910
  184   2HD1  LEU  88          2HD2      LEU  88   2.470   6.115   6.115
  185   3HD1  LEU  88          1HD2      LEU  88   3.800   6.364   6.364
  186   1HD2  LEU  88          2HD1      LEU  88   2.939   3.248   3.248
  187   2HD2  LEU  88          1HD1      LEU  88   4.089   3.678   3.678
  188   3HD2  LEU  88          3HD1      LEU  88   2.661   4.678   4.678
  189    H    GLY  89           H        GLY  89   6.057   3.018   3.018
  190   1HA   GLY  89          2HA       GLY  89   8.230   2.487   2.487
  191   2HA   GLY  89          1HA       GLY  89   8.903   2.404   2.404
  192    H    CYS  90           H        CYS  90   9.583   0.240   0.240
  193    HA   CYS  90           HA       CYS  90   7.395  -1.720  -1.720
  194   1HB   CYS  90          2HB       CYS  90  10.250  -2.232  -2.232
  195   2HB   CYS  90          1HB       CYS  90   8.852  -3.272  -3.272
  196    HG   CYS  90           HG       CYS  90   9.641  -1.779  -1.779
  197    H    VAL  91           H        VAL  91   7.471  -3.476  -3.476
  198    HA   VAL  91           HA       VAL  91   9.455  -3.298  -3.298
  199    HB   VAL  91           HB       VAL  91   6.854  -2.583  -2.583
  200   1HG1  VAL  91          1HG2      VAL  91   6.387  -5.169  -5.169
  201   2HG1  VAL  91          3HG2      VAL  91   6.797  -5.163  -5.163
  202   3HG1  VAL  91          2HG2      VAL  91   5.472  -4.161  -4.161
  203   1HG2  VAL  91          1HG1      VAL  91   8.798  -3.656  -3.656
  204   2HG2  VAL  91          3HG1      VAL  91   8.497  -1.980  -1.980
  205   3HG2  VAL  91          2HG1      VAL  91   7.279  -2.877  -2.877
  206    H    GLU  92           H        GLU  92   9.382  -5.382  -5.382
  207    HA   GLU  92           HA       GLU  92   9.725  -7.601  -7.601
  208   1HB   GLU  92          1HB       GLU  92  10.666  -8.732  -8.732
  209   2HB   GLU  92          2HB       GLU  92  11.565  -7.366  -7.366
  210   1HG   GLU  92          1HG       GLU  92  11.092  -6.029  -6.029
  211   2HG   GLU  92          2HG       GLU  92   9.543  -6.808  -6.808
  212    H    VAL  93           H        VAL  93   8.610  -9.511  -9.511
  213    HA   VAL  93           HA       VAL  93   6.726 -10.096 -10.096
  214    HB   VAL  93           HB       VAL  93   4.739 -10.186 -10.186
  215   1HG1  VAL  93          3HG1      VAL  93   5.377  -8.140  -8.140
  216   2HG1  VAL  93          2HG1      VAL  93   5.915  -7.424  -7.424
  217   3HG1  VAL  93          1HG1      VAL  93   4.224  -7.882  -7.882
  218   1HG2  VAL  93          2HG2      VAL  93   6.123 -10.420 -10.420
  219   2HG2  VAL  93          1HG2      VAL  93   4.673  -9.419  -9.419
  220   3HG2  VAL  93          3HG2      VAL  93   6.260  -8.662  -8.662
  221    H    PHE  94           H        PHE  94   5.287 -12.071 -12.071
  222    HA   PHE  94           HA       PHE  94   7.026 -13.839 -13.839
  223   1HB   PHE  94          1HB       PHE  94   6.234 -14.113 -14.113
  224   2HB   PHE  94          2HB       PHE  94   5.864 -15.541 -15.541
  225    HD1  PHE  94           HD2      PHE  94   7.631 -16.847 -16.847
  226    HD2  PHE  94           HD1      PHE  94   8.510 -13.438 -13.438
  227    HE1  PHE  94           HE2      PHE  94   9.978 -17.569 -17.569
  228    HE2  PHE  94           HE1      PHE  94  10.858 -14.155 -14.155
  229    HZ   PHE  94           HZ       PHE  94  11.595 -16.222 -16.222
  230    H    GLU  95           H        GLU  95   4.370 -12.346 -12.346
  231    HA   GLU  95           HA       GLU  95   3.071 -14.538 -14.538
  232   1HB   GLU  95          1HB       GLU  95   1.601 -12.945 -12.945
  233   2HB   GLU  95          2HB       GLU  95   0.846 -14.046 -14.046
  234   1HG   GLU  95          1HG       GLU  95   1.010 -15.360 -15.360
  235   2HG   GLU  95          2HG       GLU  95   2.484 -15.790 -15.790
  236    H    SER  96           H        SER  96   2.854 -13.770 -13.770
  237    HA   SER  96           HA       SER  96   2.047 -10.964 -10.964
  238   1HB   SER  96          2HB       SER  96   4.006 -12.595 -12.595
  239   2HB   SER  96          1HB       SER  96   2.784 -12.080 -12.080
  240    HG   SER  96           HG       SER  96   4.367 -10.446 -10.446
  241    H    ARG  97           H        ARG  97   0.354 -13.329 -13.329
  242    HA   ARG  97           HA       ARG  97  -1.549 -13.009 -13.009
  243   1HB   ARG  97          1HB       ARG  97  -0.126 -15.244 -15.244
  244   2HB   ARG  97          2HB       ARG  97  -1.302 -15.705 -15.705
  245   1HG   ARG  97          2HG       ARG  97  -2.724 -14.602 -14.602
  246   2HG   ARG  97          1HG       ARG  97  -1.560 -15.765 -15.765
  247   1HD   ARG  97          2HD       ARG  97  -3.734 -16.219 -16.219
  248   2HD   ARG  97          1HD       ARG  97  -3.526 -16.992 -16.992
  249    HE   ARG  97           HE       ARG  97  -2.254 -17.719 -17.719
  250   1HH1  ARG  97          1HH1      ARG  97  -2.068 -17.866 -17.866
  251   2HH1  ARG  97          2HH1      ARG  97  -1.065 -19.278 -19.278
  252   1HH2  ARG  97          1HH2      ARG  97  -0.934 -19.579 -19.579
  253   2HH2  ARG  97          2HH2      ARG  97  -0.420 -20.252 -20.252
  254    H    GLY  98           H        GLY  98  -1.431 -11.807 -11.807
  255   1HA   GLY  98          1HA       GLY  98  -3.993 -12.820 -12.820
  256   2HA   GLY  98          2HA       GLY  98  -2.661 -12.535 -12.535
  257    H    MET  99           H        MET  99  -5.331 -11.178 -11.178
  258    HA   MET  99           HA       MET  99  -4.743  -8.507  -8.507
  259   1HB   MET  99          2HB       MET  99  -6.932  -9.674  -9.674
  260   2HB   MET  99          1HB       MET  99  -7.316  -9.531  -9.531
  261   1HG   MET  99          1HG       MET  99  -6.566  -7.104  -7.104
  262   2HG   MET  99          2HG       MET  99  -8.194  -7.766  -7.766
  263   1HE   MET  99          3HE       MET  99  -6.758  -5.097  -5.097
  264   2HE   MET  99          2HE       MET  99  -7.497  -4.501  -4.501
  265   3HE   MET  99          1HE       MET  99  -5.953  -5.353  -5.353
  266    H    GLN 100           H        GLN 100  -5.035 -10.347 -10.347
  267    HA   GLN 100           HA       GLN 100  -5.371  -8.106  -8.106
  268   1HB   GLN 100          1HB       GLN 100  -4.376 -10.868 -10.868
  269   2HB   GLN 100          2HB       GLN 100  -5.113  -9.691  -9.691
  270   1HG   GLN 100          2HG       GLN 100  -7.116 -10.515 -10.515
  271   2HG   GLN 100          1HG       GLN 100  -6.909 -10.198 -10.198
  272   1HE2  GLN 100          2HE2      GLN 100  -6.960 -13.560 -13.560
  273   2HE2  GLN 100          1HE2      GLN 100  -7.395 -11.935 -11.935
  274    H    VAL 101           H        VAL 101  -2.694  -9.758  -9.758
  275    HA   VAL 101           HA       VAL 101  -0.671  -8.936  -8.936
  276    HB   VAL 101           HB       VAL 101  -0.317  -9.529  -9.529
  277   1HG1  VAL 101          2HG1      VAL 101   1.504  -9.233  -9.233
  278   2HG1  VAL 101          1HG1      VAL 101   1.914 -10.416 -10.416
  279   3HG1  VAL 101          3HG1      VAL 101   1.717  -8.717  -8.717
  280   1HG2  VAL 101          1HG2      VAL 101  -1.551 -11.329 -11.329
  281   2HG2  VAL 101          3HG2      VAL 101   0.034 -11.835 -11.835
  282   3HG2  VAL 101          2HG2      VAL 101  -0.201 -11.471 -11.471
  283    H    CYS 102           H        CYS 102  -2.049  -7.506  -7.506
  284    HA   CYS 102           HA       CYS 102  -0.184  -5.343  -5.343
  285   1HB   CYS 102          2HB       CYS 102  -2.953  -5.363  -5.363
  286   2HB   CYS 102          1HB       CYS 102  -1.541  -4.468  -4.468
  287    HG   CYS 102           HG       CYS 102  -1.635  -7.565  -7.565
  288    H    GLU 103           H        GLU 103  -3.535  -5.672  -5.672
  289    HA   GLU 103           HA       GLU 103  -3.993  -3.062  -3.062
  290   1HB   GLU 103          2HB       GLU 103  -5.260  -5.570  -5.570
  291   2HB   GLU 103          1HB       GLU 103  -5.102  -4.895  -4.895
  292   1HG   GLU 103          1HG       GLU 103  -6.073  -2.749  -2.749
  293   2HG   GLU 103          2HG       GLU 103  -6.597  -3.828  -3.828
  294    H    GLU 104           H        GLU 104  -2.288  -5.681  -5.681
  295    HA   GLU 104           HA       GLU 104  -1.801  -4.088  -4.088
  296   1HB   GLU 104          1HB       GLU 104  -0.715  -6.037  -6.037
  297   2HB   GLU 104          2HB       GLU 104  -2.198  -6.557  -6.557
  298   1HG   GLU 104          1HG       GLU 104  -0.876  -7.199  -7.199
  299   2HG   GLU 104          2HG       GLU 104   0.592  -6.764  -6.764
  300    H    ALA 105           H        ALA 105   0.022  -5.362  -5.362
  301    HA   ALA 105           HA       ALA 105   2.593  -4.668  -4.668
  302   1HB   ALA 105          1HB       ALA 105   1.208  -4.698  -4.698
  303   2HB   ALA 105          3HB       ALA 105   2.919  -4.299  -4.299
  304   3HB   ALA 105          2HB       ALA 105   2.332  -5.878  -5.878
  305    H    LEU 106           H        LEU 106   0.156  -2.625  -2.625
  306    HA   LEU 106           HA       LEU 106   1.617  -0.313  -0.313
  307   1HB   LEU 106          1HB       LEU 106  -0.799  -0.841  -0.841
  308   2HB   LEU 106          2HB       LEU 106  -1.235  -0.315  -0.315
  309    HG   LEU 106           HG       LEU 106   0.338   1.487   1.487
  310   1HD1  LEU 106          3HD1      LEU 106  -1.770   0.601   0.601
  311   2HD1  LEU 106          2HD1      LEU 106  -2.662   1.484   1.484
  312   3HD1  LEU 106          1HD1      LEU 106  -1.601   2.352   2.352
  313   1HD2  LEU 106          3HD2      LEU 106  -0.806   1.639   1.639
  314   2HD2  LEU 106          2HD2      LEU 106   0.184   2.822   2.822
  315   3HD2  LEU 106          1HD2      LEU 106  -1.569   2.834   2.834
  316    H    LYS 107           H        LYS 107  -0.152  -1.377  -1.377
  317    HA   LYS 107           HA       LYS 107   0.382   0.859   0.859
  318   1HB   LYS 107          2HB       LYS 107  -1.299  -0.635  -0.635
  319   2HB   LYS 107          1HB       LYS 107  -0.234  -2.027  -2.027
  320   1HG   LYS 107          2HG       LYS 107   0.448   0.142   0.142
  321   2HG   LYS 107          1HG       LYS 107  -0.831  -1.005  -1.005
  322   1HD   LYS 107          2HD       LYS 107   1.393  -2.453  -2.453
  323   2HD   LYS 107          1HD       LYS 107   1.972  -1.352  -1.352
  324   1HE   LYS 107          1HE       LYS 107  -0.335  -2.396  -2.396
  325   2HE   LYS 107          2HE       LYS 107   0.367  -3.769  -3.769
  326   1HZ   LYS 107          2HZ       LYS 107   2.469  -3.316  -3.316
  327   2HZ   LYS 107          1HZ       LYS 107   1.692  -2.107  -2.107
  328   3HZ   LYS 107          3HZ       LYS 107   1.203  -3.719  -3.719
  329    H    VAL 108           H        VAL 108   2.173  -2.124  -2.124
  330    HA   VAL 108           HA       VAL 108   4.188  -1.769  -1.769
  331    HB   VAL 108           HB       VAL 108   4.477  -3.133  -3.133
  332   1HG1  VAL 108          2HG1      VAL 108   5.993  -3.386  -3.386
  333   2HG1  VAL 108          1HG1      VAL 108   6.156  -4.500  -4.500
  334   3HG1  VAL 108          3HG1      VAL 108   6.606  -2.804  -2.804
  335   1HG2  VAL 108          3HG2      VAL 108   2.732  -3.770  -3.770
  336   2HG2  VAL 108          2HG2      VAL 108   3.106  -4.733  -4.733
  337   3HG2  VAL 108          1HG2      VAL 108   4.048  -4.944  -4.944
  338    H    LEU 109           H        LEU 109   3.751  -0.450  -0.450
  339    HA   LEU 109           HA       LEU 109   6.408   0.430   0.430
  340   1HB   LEU 109          1HB       LEU 109   3.751   1.043   1.043
  341   2HB   LEU 109          2HB       LEU 109   5.084   2.129   2.129
  342    HG   LEU 109           HG       LEU 109   4.984   0.577   0.577
  343   1HD1  LEU 109          3HD2      LEU 109   7.235   1.003   1.003
  344   2HD1  LEU 109          2HD2      LEU 109   7.139  -0.751  -0.751
  345   3HD1  LEU 109          1HD2      LEU 109   7.169  -0.013  -0.013
  346   1HD2  LEU 109          3HD1      LEU 109   3.617  -1.123  -1.123
  347   2HD2  LEU 109          2HD1      LEU 109   5.021  -1.835  -1.835
  348   3HD2  LEU 109          1HD1      LEU 109   5.016  -1.623  -1.623
  349    H    ARG 110           H        ARG 110   3.828   1.655   1.655
  350    HA   ARG 110           HA       ARG 110   4.970   4.324   4.324
  351   1HB   ARG 110          2HB       ARG 110   2.399   3.374   3.374
  352   2HB   ARG 110          1HB       ARG 110   2.866   3.662   3.662
  353   1HG   ARG 110          1HG       ARG 110   3.435   5.966   5.966
  354   2HG   ARG 110          2HG       ARG 110   3.004   5.683   5.683
  355   1HD   ARG 110          1HD       ARG 110   0.705   5.033   5.033
  356   2HD   ARG 110          2HD       ARG 110   1.196   5.685   5.685
  357    HE   ARG 110           HE       ARG 110   1.555   7.501   7.501
  358   1HH1  ARG 110          2HH1      ARG 110  -0.625   6.334   6.334
  359   2HH1  ARG 110          1HH1      ARG 110  -1.589   7.773   7.773
  360   1HH2  ARG 110          1HH2      ARG 110   0.292   9.398   9.398
  361   2HH2  ARG 110          2HH2      ARG 110  -1.068   9.515   9.515
  362    H    GLN 111           H        GLN 111   4.320   1.619   1.619
  363    HA   GLN 111           HA       GLN 111   5.686   2.781   2.781
  364   1HB   GLN 111          2HB       GLN 111   5.445   0.626   0.626
  365   2HB   GLN 111          1HB       GLN 111   3.958   1.003   1.003
  366   1HG   GLN 111          2HG       GLN 111   4.197  -1.141  -1.141
  367   2HG   GLN 111          1HG       GLN 111   5.168  -0.374  -0.374
  368   1HE2  GLN 111          2HE2      GLN 111   6.906  -2.676  -2.676
  369   2HE2  GLN 111          1HE2      GLN 111   5.287  -2.099  -2.099
  370    H    SER 112           H        SER 112   6.707   1.002   1.002
  371    HA   SER 112           HA       SER 112   9.228   0.155   0.155
  372   1HB   SER 112          2HB       SER 112   9.724  -0.589  -0.589
  373   2HB   SER 112          1HB       SER 112   8.089  -1.081  -1.081
  374    HG   SER 112           HG       SER 112   8.007  -0.196  -0.196
  375    H    ARG 113           H        ARG 113  11.269   0.749   0.749
  376    HA   ARG 113           HA       ARG 113  11.832   3.470   3.470
  377   1HB   ARG 113          2HB       ARG 113  13.944   3.007   3.007
  378   2HB   ARG 113          1HB       ARG 113  13.558   1.715   1.715
  379   1HG   ARG 113          2HG       ARG 113  14.139   0.419   0.419
  380   2HG   ARG 113          1HG       ARG 113  12.462   0.696   0.696
  381   1HD   ARG 113          1HD       ARG 113  13.533   1.232   1.232
  382   2HD   ARG 113          2HD       ARG 113  13.481   2.813   2.813
  383    HE   ARG 113           HE       ARG 113  15.763   2.752   2.752
  384   1HH1  ARG 113          1HH1      ARG 113  14.591  -0.402  -0.402
  385   2HH1  ARG 113          2HH1      ARG 113  16.170  -1.049  -1.049
  386   1HH2  ARG 113          1HH2      ARG 113  17.850   1.910   1.910
  387   2HH2  ARG 113          2HH2      ARG 113  18.023   0.265   0.265
  388    H    ARG 114           H        ARG 114  10.390   1.752   1.752
  389    HA   ARG 114           HA       ARG 114  10.932   3.189   3.189
  390   1HB   ARG 114          2HB       ARG 114   8.273   2.111   2.111
  391   2HB   ARG 114          1HB       ARG 114   8.580   2.656   2.656
  392   1HG   ARG 114          2HG       ARG 114  10.410   0.618   0.618
  393   2HG   ARG 114          1HG       ARG 114   8.768   0.109   0.109
  394   1HD   ARG 114          1HD       ARG 114   9.152   0.227   0.227
  395   2HD   ARG 114          2HD       ARG 114  10.033   1.743   1.743
  396    HE   ARG 114           HE       ARG 114  11.138  -0.951  -0.951
  397   1HH1  ARG 114          1HH1      ARG 114  11.722   2.490   2.490
  398   2HH1  ARG 114          2HH1      ARG 114  13.433   2.330   2.330
  399   1HH2  ARG 114          1HH2      ARG 114  13.384  -1.143  -1.143
  400   2HH2  ARG 114          2HH2      ARG 114  14.377   0.275   0.275
  401    H    ARG 115           H        ARG 115   9.721   4.915   4.915
  402    HA   ARG 115           HA       ARG 115   8.206   6.726   6.726
  403   1HB   ARG 115          1HB       ARG 115   9.631   8.625   8.625
  404   2HB   ARG 115          2HB       ARG 115  10.614   7.323   7.323
  405   1HG   ARG 115          2HG       ARG 115  11.459   6.829   6.829
  406   2HG   ARG 115          1HG       ARG 115  10.469   8.134   8.134
  407   1HD   ARG 115          1HD       ARG 115  12.742   8.900   8.900
  408   2HD   ARG 115          2HD       ARG 115  11.676   9.739   9.739
  409    HE   ARG 115           HE       ARG 115  12.898   7.413   7.413
  410   1HH1  ARG 115          1HH1      ARG 115  13.345  10.789  10.789
  411   2HH1  ARG 115          2HH1      ARG 115  14.518  11.036  11.036
  412   1HH2  ARG 115          1HH2      ARG 115  14.441   7.727   7.727
  413   2HH2  ARG 115          2HH2      ARG 115  15.142   9.294   9.294
  414    HA   PRO 116           HA       PRO 116   5.917   7.596   7.596
  415   1HB   PRO 116          2HB       PRO 116   5.936  10.454  10.454
  416   2HB   PRO 116          1HB       PRO 116   4.568   9.365   9.365
  417   1HG   PRO 116          1HG       PRO 116   5.275  10.132  10.132
  418   2HG   PRO 116          2HG       PRO 116   4.696   8.487   8.487
  419   1HD   PRO 116          2HD       PRO 116   7.492   9.466   9.466
  420   2HD   PRO 116          1HD       PRO 116   6.719   7.976   7.976
  421    H    VAL 117           H        VAL 117   5.946   8.804   8.804
  422    HA   VAL 117           HA       VAL 117   8.475  10.197  10.197
  423    HB   VAL 117           HB       VAL 117   8.615   7.819   7.819
  424   1HG1  VAL 117          2HG2      VAL 117   6.167   7.763   7.763
  425   2HG1  VAL 117          1HG2      VAL 117   6.679   8.611   8.611
  426   3HG1  VAL 117          3HG2      VAL 117   7.330   7.013   7.013
  427   1HG2  VAL 117          2HG1      VAL 117   8.815  10.103  10.103
  428   2HG2  VAL 117          1HG1      VAL 117  10.099   9.331   9.331
  429   3HG2  VAL 117          3HG1      VAL 117   9.344   8.473   8.473
  430    H    ARG 118           H        ARG 118   7.910  12.200  12.200
  431    HA   ARG 118           HA       ARG 118   5.354  12.820  12.820
  432   1HB   ARG 118          2HB       ARG 118   6.636  14.334  14.334
  433   2HB   ARG 118          1HB       ARG 118   7.768  14.624  14.624
  434   1HG   ARG 118          2HG       ARG 118   6.344  15.975  15.975
  435   2HG   ARG 118          1HG       ARG 118   4.915  15.071  15.071
  436   1HD   ARG 118          2HD       ARG 118   4.593  16.356  16.356
  437   2HD   ARG 118          1HD       ARG 118   6.315  16.433  16.433
  438    HE   ARG 118           HE       ARG 118   6.359  18.473  18.473
  439   1HH1  ARG 118          1HH1      ARG 118   3.657  16.684  16.684
  440   2HH1  ARG 118          2HH1      ARG 118   3.083  17.994  17.994
  441   1HH2  ARG 118          1HH2      ARG 118   5.611  20.206  20.206
  442   2HH2  ARG 118          2HH2      ARG 118   4.194  19.996  19.996
  443    H    GLY 119           H        GLY 119   5.641  11.343  11.343
  444   1HA   GLY 119          2HA       GLY 119   6.979  12.775  12.775
  445   2HA   GLY 119          1HA       GLY 119   7.210  11.048  11.048
  446    H    LEU 120           H        LEU 120   6.400  10.780  10.780
  447    HA   LEU 120           HA       LEU 120   3.463  10.993  10.993
  448   1HB   LEU 120          2HB       LEU 120   5.376  12.219  12.219
  449   2HB   LEU 120          1HB       LEU 120   4.778  10.872  10.872
  450    HG   LEU 120           HG       LEU 120   3.162  13.147  13.147
  451   1HD1  LEU 120          3HD1      LEU 120   4.416  13.661  13.661
  452   2HD1  LEU 120          2HD1      LEU 120   3.676  12.274  12.274
  453   3HD1  LEU 120          1HD1      LEU 120   2.678  13.636  13.636
  454   1HD2  LEU 120          2HD2      LEU 120   2.151  10.728  10.728
  455   2HD2  LEU 120          1HD2      LEU 120   1.202  12.106  12.106
  456   3HD2  LEU 120          3HD2      LEU 120   1.980  11.038  11.038
  457    H    LEU 121           H        LEU 121   2.419   9.128   9.128
  458    HA   LEU 121           HA       LEU 121   3.911   6.700   6.700
  459   1HB   LEU 121          1HB       LEU 121   2.245   6.543   6.543
  460   2HB   LEU 121          2HB       LEU 121   1.020   7.239   7.239
  461    HG   LEU 121           HG       LEU 121   1.101   5.221   5.221
  462   1HD1  LEU 121          1HD1      LEU 121   3.489   4.680   4.680
  463   2HD1  LEU 121          3HD1      LEU 121   2.851   3.997   3.997
  464   3HD1  LEU 121          2HD1      LEU 121   2.374   3.314   3.314
  465   1HD2  LEU 121          3HD2      LEU 121   0.119   5.402   5.402
  466   2HD2  LEU 121          2HD2      LEU 121  -0.584   4.581   4.581
  467   3HD2  LEU 121          1HD2      LEU 121   0.569   3.736   3.736
  468    H    HIS 122           H        HIS 122   4.444   6.386   6.386
  469    HA   HIS 122           HA       HIS 122   2.821   7.333   7.333
  470   1HB   HIS 122          2HB       HIS 122   5.444   5.980   5.980
  471   2HB   HIS 122          1HB       HIS 122   4.595   5.723   5.723
  472    HD1  HIS 122           HD1      HIS 122   4.459   7.717   7.717
  473    HD2  HIS 122           HD2      HIS 122   6.282   8.615   8.615
  474    HE1  HIS 122           HE1      HIS 122   5.527   9.992   9.992
  475    H    VAL 123           H        VAL 123   0.880   6.338   6.338
  476    HA   VAL 123           HA       VAL 123   0.816   3.404   3.404
  477    HB   VAL 123           HB       VAL 123  -1.471   5.362   5.362
  478   1HG1  VAL 123          1HG1      VAL 123  -1.543   2.787   2.787
  479   2HG1  VAL 123          3HG1      VAL 123  -2.026   2.597   2.597
  480   3HG1  VAL 123          2HG1      VAL 123  -2.909   3.704   3.704
  481   1HG2  VAL 123          1HG2      VAL 123   0.326   4.319   4.319
  482   2HG2  VAL 123          3HG2      VAL 123  -1.104   5.320   5.320
  483   3HG2  VAL 123          2HG2      VAL 123  -1.246   3.562   3.562
  484    H    SER 124           H        SER 124   1.127   2.683   2.683
  485    HA   SER 124           HA       SER 124  -0.368   4.003   4.003
  486   1HB   SER 124          1HB       SER 124   1.517   3.350   3.350
  487   2HB   SER 124          2HB       SER 124   1.962   4.550   4.550
  488    HG   SER 124           HG       SER 124   3.113   2.234   2.234
  489    H    GLY 125           H        GLY 125  -1.386   1.883   1.883
  490   1HA   GLY 125          2HA       GLY 125  -2.148  -0.294  -0.294
  491   2HA   GLY 125          1HA       GLY 125  -2.481   0.189   0.189
  492    H    ASP 126           H        ASP 126   0.717  -0.201  -0.201
  493    HA   ASP 126           HA       ASP 126   1.115  -2.791  -2.791
  494   1HB   ASP 126          2HB       ASP 126   1.361  -1.059  -1.059
  495   2HB   ASP 126          1HB       ASP 126   2.838  -0.556  -0.556
  496    H    GLY 127           H        GLY 127   2.600   0.061   0.061
  497   1HA   GLY 127          2HA       GLY 127   4.113  -1.737  -1.737
  498   2HA   GLY 127          1HA       GLY 127   5.029  -0.591  -0.591
  499    H    LEU 128           H        LEU 128   3.855  -1.119  -1.119
  500    HA   LEU 128           HA       LEU 128   2.981   1.567   1.567
  501   1HB   LEU 128          2HB       LEU 128   3.169  -1.033  -1.033
  502   2HB   LEU 128          1HB       LEU 128   3.381   0.380   0.380
  503    HG   LEU 128           HG       LEU 128   1.187   0.926   0.926
  504   1HD1  LEU 128          3HD2      LEU 128   1.391   0.256   0.256
  505   2HD1  LEU 128          2HD2      LEU 128  -0.204   0.107   0.107
  506   3HD1  LEU 128          1HD2      LEU 128   0.652   1.646   1.646
  507   1HD2  LEU 128          3HD1      LEU 128   1.334  -1.466  -1.466
  508   2HD2  LEU 128          2HD1      LEU 128  -0.234  -0.997  -0.997
  509   3HD2  LEU 128          1HD1      LEU 128   0.912  -1.897  -1.897
  510    H    ARG 129           H        ARG 129   4.749   2.875   2.875
  511    HA   ARG 129           HA       ARG 129   7.195   2.354   2.354
  512   1HB   ARG 129          1HB       ARG 129   6.798   4.210   4.210
  513   2HB   ARG 129          2HB       ARG 129   8.330   3.820   3.820
  514   1HG   ARG 129          2HG       ARG 129   7.724   1.371   1.371
  515   2HG   ARG 129          1HG       ARG 129   6.627   2.137   2.137
  516   1HD   ARG 129          2HD       ARG 129   8.297   2.735   2.735
  517   2HD   ARG 129          1HD       ARG 129   9.284   3.319   3.319
  518    HE   ARG 129           HE       ARG 129  10.434   1.355   1.355
  519   1HH1  ARG 129          1HH1      ARG 129   7.360   0.889   0.889
  520   2HH1  ARG 129          2HH1      ARG 129   7.722  -0.723  -0.723
  521   1HH2  ARG 129          1HH2      ARG 129  10.922  -0.767  -0.767
  522   2HH2  ARG 129          2HH2      ARG 129   9.747  -1.665  -1.665
  523    H    VAL 130           H        VAL 130   6.834   3.271   3.271
  524    HA   VAL 130           HA       VAL 130   5.739   5.965   5.965
  525    HB   VAL 130           HB       VAL 130   4.912   4.409   4.409
  526   1HG1  VAL 130          2HG2      VAL 130   7.673   3.579   3.579
  527   2HG1  VAL 130          1HG2      VAL 130   7.031   3.873   3.873
  528   3HG1  VAL 130          3HG2      VAL 130   6.222   2.734   2.734
  529   1HG2  VAL 130          2HG1      VAL 130   5.491   6.832   6.832
  530   2HG2  VAL 130          1HG1      VAL 130   5.151   5.689   5.689
  531   3HG2  VAL 130          3HG1      VAL 130   6.818   6.124   6.124
  532    H    VAL 131           H        VAL 131   7.153   7.530   7.530
  533    HA   VAL 131           HA       VAL 131   9.951   7.276   7.276
  534    HB   VAL 131           HB       VAL 131   8.751   9.612   9.612
  535   1HG1  VAL 131          1HG1      VAL 131  11.493   8.478   8.478
  536   2HG1  VAL 131          3HG1      VAL 131  11.122   9.475   9.475
  537   3HG1  VAL 131          2HG1      VAL 131  10.926  10.133  10.133
  538   1HG2  VAL 131          2HG2      VAL 131   8.923   6.885   6.885
  539   2HG2  VAL 131          1HG2      VAL 131   8.218   8.295   8.295
  540   3HG2  VAL 131          3HG2      VAL 131   9.937   7.946   7.946
  541    H    ASP 132           H        ASP 132  11.039   9.190   9.190
  542    HA   ASP 132           HA       ASP 132   9.311  10.485  10.485
  543   1HB   ASP 132          2HB       ASP 132  11.016   9.028   9.028
  544   2HB   ASP 132          1HB       ASP 132  12.279   9.892   9.892
  545    H    ASP 133           H        ASP 133   9.279  12.673  12.673
  546    HA   ASP 133           HA       ASP 133  10.366  14.168  14.168
  547   1HB   ASP 133          2HB       ASP 133   8.103  14.571  14.571
  548   2HB   ASP 133          1HB       ASP 133   8.939  15.253  15.253
  549    H    GLU 134           H        GLU 134  11.873  13.102  13.102
  550    HA   GLU 134           HA       GLU 134  13.484  15.551  15.551
  551   1HB   GLU 134          1HB       GLU 134  12.195  14.579  14.579
  552   2HB   GLU 134          2HB       GLU 134  13.467  13.366  13.366
  553   1HG   GLU 134          2HG       GLU 134  15.092  14.876  14.876
  554   2HG   GLU 134          1HG       GLU 134  14.205  16.250  16.250
  555    H    THR 135           H        THR 135  13.518  12.081  12.081
  556    HA   THR 135           HA       THR 135  16.423  12.222  12.222
  557    HB   THR 135           HB       THR 135  16.462   9.792   9.792
  558    HG1  THR 135          1HG       THR 135  14.685   8.717   8.717
  559   1HG2  THR 135          2HG2      THR 135  15.813  11.834  11.834
  560   2HG2  THR 135          1HG2      THR 135  15.346  10.212  10.212
  561   3HG2  THR 135          3HG2      THR 135  17.017  10.546  10.546
  562    H    LYS 136           H        LYS 136  13.345  11.449  11.449
  563    HA   LYS 136           HA       LYS 136  12.696  10.845  10.845
  564   1HB   LYS 136          1HB       LYS 136  15.370  12.048  12.048
  565   2HB   LYS 136          2HB       LYS 136  14.778  11.042  11.042
  566   1HG   LYS 136          1HG       LYS 136  14.107  13.219  13.219
  567   2HG   LYS 136          2HG       LYS 136  12.656  12.430  12.430
  568   1HD   LYS 136          2HD       LYS 136  12.617  13.691  13.691
  569   2HD   LYS 136          1HD       LYS 136  14.372  13.875  13.875
  570   1HE   LYS 136          1HE       LYS 136  14.223  15.859  15.859
  571   2HE   LYS 136          2HE       LYS 136  13.355  15.149  15.149
  572   1HZ   LYS 136          2HZ       LYS 136  11.595  15.364  15.364
  573   2HZ   LYS 136          1HZ       LYS 136  12.363  16.858  16.858
  574   3HZ   LYS 136          3HZ       LYS 136  11.524  16.159  16.159
  575    H    GLY 137           H        GLY 137  14.206   8.946   8.946
  576   1HA   GLY 137          1HA       GLY 137  15.205   6.988   6.988
  577   2HA   GLY 137          2HA       GLY 137  15.362   6.890   6.890
  578    H    LEU 138           H        LEU 138  13.992   5.379   5.379
  579    HA   LEU 138           HA       LEU 138  11.297   5.079   5.079
  580   1HB   LEU 138          2HB       LEU 138  13.075   3.983   3.983
  581   2HB   LEU 138          1HB       LEU 138  12.459   2.607   2.607
  582    HG   LEU 138           HG       LEU 138  10.914   2.680   2.680
  583   1HD1  LEU 138          3HD1      LEU 138   9.946   3.589   3.589
  584   2HD1  LEU 138          2HD1      LEU 138   9.360   4.808   4.808
  585   3HD1  LEU 138          1HD1      LEU 138   8.968   3.109   3.109
  586   1HD2  LEU 138          2HD2      LEU 138  11.655   5.543   5.543
  587   2HD2  LEU 138          1HD2      LEU 138  11.560   4.316   4.316
  588   3HD2  LEU 138          3HD2      LEU 138  10.084   5.055   5.055
  589    H    ILE 139           H        ILE 139  10.270   4.112   4.112
  590    HA   ILE 139           HA       ILE 139  11.808   2.578   2.578
  591    HB   ILE 139           HB       ILE 139   8.879   3.168   3.168
  592   1HG1  ILE 139          2HG1      ILE 139  11.076   5.031   5.031
  593   2HG1  ILE 139          1HG1      ILE 139  10.191   5.262   5.262
  594   1HG2  ILE 139          3HG2      ILE 139  10.608   1.764   1.764
  595   2HG2  ILE 139          2HG2      ILE 139  10.645   3.359   3.359
  596   3HG2  ILE 139          1HG2      ILE 139   9.111   2.511   2.511
  597   1HD1  ILE 139          1HD1      ILE 139   8.097   5.150   5.150
  598   2HD1  ILE 139          3HD1      ILE 139   9.252   5.542   5.542
  599   3HD1  ILE 139          2HD1      ILE 139   9.048   6.632   6.632
  600    H    VAL 140           H        VAL 140   9.509   2.107   2.107
  601    HA   VAL 140           HA       VAL 140   9.632  -0.774  -0.774
  602    HB   VAL 140           HB       VAL 140   6.982   0.487   0.487
  603   1HG1  VAL 140          2HG1      VAL 140   7.900  -2.226  -2.226
  604   2HG1  VAL 140          1HG1      VAL 140   6.213  -1.721  -1.721
  605   3HG1  VAL 140          3HG1      VAL 140   7.022  -1.796  -1.796
  606   1HG2  VAL 140          2HG2      VAL 140   7.689   1.379   1.379
  607   2HG2  VAL 140          1HG2      VAL 140   6.346   0.249   0.249
  608   3HG2  VAL 140          3HG2      VAL 140   7.988  -0.259  -0.259
  609    H    ASP 141           H        ASP 141  11.151  -0.004  -0.004
  610    HA   ASP 141           HA       ASP 141   9.910   0.567   0.567
  611   1HB   ASP 141          1HB       ASP 141  12.165   0.174   0.174
  612   2HB   ASP 141          2HB       ASP 141  12.209   1.279   1.279
  613    H    GLN 142           H        GLN 142   8.384  -1.373  -1.373
  614    HA   GLN 142           HA       GLN 142   9.412  -3.701  -3.701
  615   1HB   GLN 142          1HB       GLN 142   8.933  -3.745  -3.745
  616   2HB   GLN 142          2HB       GLN 142   7.387  -4.288  -4.288
  617   1HG   GLN 142          1HG       GLN 142   8.368  -6.148  -6.148
  618   2HG   GLN 142          2HG       GLN 142   9.998  -5.519  -5.519
  619   1HE2  GLN 142          2HE2      GLN 142  10.429  -7.007  -7.007
  620   2HE2  GLN 142          1HE2      GLN 142  11.089  -6.137  -6.137
  621    H    THR 143           H        THR 143   7.726  -5.028  -5.028
  622    HA   THR 143           HA       THR 143   5.719  -3.412  -3.412
  623    HB   THR 143           HB       THR 143   6.248  -6.384  -6.384
  624    HG1  THR 143          1HG       THR 143   7.192  -5.735  -5.735
  625   1HG2  THR 143          3HG2      THR 143   4.031  -4.981  -4.981
  626   2HG2  THR 143          2HG2      THR 143   5.071  -5.282  -5.282
  627   3HG2  THR 143          1HG2      THR 143   4.526  -6.629  -6.629
  628    H    ILE 144           H        ILE 144   3.503  -3.527  -3.527
  629    HA   ILE 144           HA       ILE 144   2.463  -4.069  -4.069
  630    HB   ILE 144           HB       ILE 144   1.477  -2.492  -2.492
  631   1HG1  ILE 144          1HG1      ILE 144  -0.683  -4.402  -4.402
  632   2HG1  ILE 144          2HG1      ILE 144   0.299  -3.655  -3.655
  633   1HG2  ILE 144          1HG2      ILE 144   1.553  -4.512  -4.512
  634   2HG2  ILE 144          3HG2      ILE 144  -0.120  -4.654  -4.654
  635   3HG2  ILE 144          2HG2      ILE 144   0.458  -3.137  -3.137
  636   1HD1  ILE 144          2HD1      ILE 144  -0.312  -1.436  -1.436
  637   2HD1  ILE 144          1HD1      ILE 144  -1.413  -2.256  -2.256
  638   3HD1  ILE 144          3HD1      ILE 144  -1.675  -2.355  -2.355
  639    H    GLU 145           H        GLU 145   2.730  -6.020  -6.020
  640    HA   GLU 145           HA       GLU 145   0.960  -8.091  -8.091
  641   1HB   GLU 145          2HB       GLU 145   1.212  -7.824  -7.824
  642   2HB   GLU 145          1HB       GLU 145   2.965  -7.874  -7.874
  643   1HG   GLU 145          1HG       GLU 145   3.035 -10.102 -10.102
  644   2HG   GLU 145          2HG       GLU 145   1.626 -10.278 -10.278
  645    H    LYS 146           H        LYS 146   4.367  -7.396  -7.396
  646    HA   LYS 146           HA       LYS 146   5.128 -10.032 -10.032
  647   1HB   LYS 146          1HB       LYS 146   6.633  -8.289  -8.289
  648   2HB   LYS 146          2HB       LYS 146   6.670  -7.484  -7.484
  649   1HG   LYS 146          1HG       LYS 146   7.765  -9.320  -9.320
  650   2HG   LYS 146          2HG       LYS 146   7.490 -10.350 -10.350
  651   1HD   LYS 146          2HD       LYS 146   8.829  -8.217  -8.217
  652   2HD   LYS 146          1HD       LYS 146   9.589  -8.379  -8.379
  653   1HE   LYS 146          2HE       LYS 146   9.163 -10.882 -10.882
  654   2HE   LYS 146          1HE       LYS 146  10.357  -9.768  -9.768
  655   1HZ   LYS 146          3HZ       LYS 146  10.690 -10.038 -10.038
  656   2HZ   LYS 146          2HZ       LYS 146  10.726 -11.558 -11.558
  657   3HZ   LYS 146          1HZ       LYS 146  11.797 -10.348 -10.348
  658    H    VAL 147           H        VAL 147   3.754  -7.292  -7.292
  659    HA   VAL 147           HA       VAL 147   4.708  -7.901  -7.901
  660    HB   VAL 147           HB       VAL 147   2.253  -6.265  -6.265
  661   1HG1  VAL 147          2HG1      VAL 147   4.462  -6.588  -6.588
  662   2HG1  VAL 147          1HG1      VAL 147   4.256  -4.894  -4.894
  663   3HG1  VAL 147          3HG1      VAL 147   2.907  -5.794  -5.794
  664   1HG2  VAL 147          1HG2      VAL 147   4.891  -5.456  -5.456
  665   2HG2  VAL 147          3HG2      VAL 147   3.291  -5.416  -5.416
  666   3HG2  VAL 147          2HG2      VAL 147   3.696  -4.277  -4.277
  667    H    SER 148           H        SER 148   3.036  -8.222  -8.222
  668    HA   SER 148           HA       SER 148   1.517 -10.590 -10.590
  669   1HB   SER 148          2HB       SER 148   2.882  -9.724  -9.724
  670   2HB   SER 148          1HB       SER 148   1.183  -9.626  -9.626
  671    HG   SER 148           HG       SER 148   2.716 -11.852 -11.852
  672    H    PHE 149           H        PHE 149   0.743  -7.530  -7.530
  673    HA   PHE 149           HA       PHE 149  -1.269  -6.569  -6.569
  674   1HB   PHE 149          1HB       PHE 149  -2.748  -8.761  -8.761
  675   2HB   PHE 149          2HB       PHE 149  -3.287  -7.763  -7.763
  676    HD1  PHE 149           HD1      PHE 149  -1.115  -8.006  -8.006
  677    HD2  PHE 149           HD2      PHE 149  -2.847 -10.951 -10.951
  678    HE1  PHE 149           HE1      PHE 149  -0.433  -9.764  -9.764
  679    HE2  PHE 149           HE2      PHE 149  -2.168 -12.714 -12.714
  680    HZ   PHE 149           HZ       PHE 149  -0.960 -12.122 -12.122
  681    H    CYS 150           H        CYS 150  -2.412  -4.999  -4.999
  682    HA   CYS 150           HA       CYS 150  -1.799  -4.496  -4.496
  683   1HB   CYS 150          1HB       CYS 150  -3.024  -2.423  -2.423
  684   2HB   CYS 150          2HB       CYS 150  -1.989  -2.695  -2.695
  685    HG   CYS 150           HG       CYS 150  -4.406  -1.922  -1.922
  686    H    ALA 151           H        ALA 151  -3.945  -3.446  -3.446
  687    HA   ALA 151           HA       ALA 151  -6.299  -5.025  -5.025
  688   1HB   ALA 151          1HB       ALA 151  -4.223  -5.877  -5.877
  689   2HB   ALA 151          3HB       ALA 151  -5.892  -5.885  -5.885
  690   3HB   ALA 151          2HB       ALA 151  -5.443  -6.823  -6.823
  691    HA   PRO 152           HA       PRO 152  -6.368  -0.810  -0.810
  692   1HB   PRO 152          1HB       PRO 152  -8.469  -0.484  -0.484
  693   2HB   PRO 152          2HB       PRO 152  -7.291   0.686   0.686
  694   1HG   PRO 152          1HG       PRO 152  -6.983  -0.466  -0.466
  695   2HG   PRO 152          2HG       PRO 152  -5.590  -0.142  -0.142
  696   1HD   PRO 152          2HD       PRO 152  -6.976  -2.721  -2.721
  697   2HD   PRO 152          1HD       PRO 152  -5.255  -2.397  -2.397
  698    H    ASP 153           H        ASP 153  -7.400  -1.387  -1.387
  699    HA   ASP 153           HA       ASP 153 -10.227  -1.520  -1.520
  700   1HB   ASP 153          1HB       ASP 153  -9.712  -3.803  -3.803
  701   2HB   ASP 153          2HB       ASP 153  -8.843  -4.144  -4.144
  702    H    ARG 154           H        ARG 154  -9.562   0.145   0.145
  703    HA   ARG 154           HA       ARG 154  -9.006  -0.973  -0.973
  704   1HB   ARG 154          1HB       ARG 154  -7.740   1.411   1.411
  705   2HB   ARG 154          2HB       ARG 154  -7.838   1.300   1.300
  706   1HG   ARG 154          1HG       ARG 154  -5.689   0.519   0.519
  707   2HG   ARG 154          2HG       ARG 154  -6.619  -0.845  -0.845
  708   1HD   ARG 154          1HD       ARG 154  -6.742  -1.859  -1.859
  709   2HD   ARG 154          2HD       ARG 154  -6.884  -0.337  -0.337
  710    HE   ARG 154           HE       ARG 154  -4.324  -0.285  -0.285
  711   1HH1  ARG 154          1HH1      ARG 154  -6.221  -2.770  -2.770
  712   2HH1  ARG 154          2HH1      ARG 154  -4.869  -3.459  -3.459
  713   1HH2  ARG 154          1HH2      ARG 154  -2.543  -1.188  -1.188
  714   2HH2  ARG 154          2HH2      ARG 154  -2.781  -2.561  -2.561
  715    H    ASN 155           H        ASN 155 -10.322   1.740   1.740
  716    HA   ASN 155           HA       ASN 155 -11.923   3.297   3.297
  717   1HB   ASN 155          2HB       ASN 155 -13.262   1.250   1.250
  718   2HB   ASN 155          1HB       ASN 155 -13.180   0.901   0.901
  719   1HD2  ASN 155          1HD2      ASN 155 -15.523   3.969   3.969
  720   2HD2  ASN 155          2HD2      ASN 155 -14.163   3.430   3.430
  721    H    HIS 156           H        HIS 156  -9.764   2.987   2.987
  722    HA   HIS 156           HA       HIS 156 -11.183   4.069   4.069
  723   1HB   HIS 156          1HB       HIS 156 -10.041   1.777   1.777
  724   2HB   HIS 156          2HB       HIS 156  -8.525   2.667   2.667
  725    HD1  HIS 156           HD1      HIS 156  -9.770   5.135   5.135
  726    HD2  HIS 156           HD2      HIS 156  -9.600   1.110   1.110
  727    HE1  HIS 156           HE1      HIS 156  -9.885   5.033   5.033
  728    H    GLU 157           H        GLU 157  -8.381   4.310   4.310
  729    HA   GLU 157           HA       GLU 157  -8.177   7.075   7.075
  730   1HB   GLU 157          2HB       GLU 157  -6.006   5.061   5.061
  731   2HB   GLU 157          1HB       GLU 157  -5.598   6.743   6.743
  732   1HG   GLU 157          2HG       GLU 157  -7.221   7.296   7.296
  733   2HG   GLU 157          1HG       GLU 157  -7.106   5.585   5.585
  734    H    ARG 158           H        ARG 158  -8.700   5.288   5.288
  735    HA   ARG 158           HA       ARG 158  -8.319   5.408   5.408
  736   1HB   ARG 158          2HB       ARG 158  -7.376   8.083   8.083
  737   2HB   ARG 158          1HB       ARG 158  -7.207   7.653   7.653
  738   1HG   ARG 158          1HG       ARG 158  -9.270   8.971   8.971
  739   2HG   ARG 158          2HG       ARG 158  -9.526   7.527   7.527
  740   1HD   ARG 158          2HD       ARG 158 -11.179   7.544   7.544
  741   2HD   ARG 158          1HD       ARG 158 -10.013   6.279   6.279
  742    HE   ARG 158           HE       ARG 158  -9.451   7.426   7.426
  743   1HH1  ARG 158          1HH2      ARG 158 -11.188   9.555   9.555
  744   2HH1  ARG 158          2HH2      ARG 158 -11.306  10.835  10.835
  745   1HH2  ARG 158          2HH1      ARG 158  -9.602   9.105   9.105
  746   2HH2  ARG 158          1HH1      ARG 158 -10.405  10.579  10.579
  747    H    GLY 159           H        GLY 159  -6.641   3.699   3.699
  748   1HA   GLY 159          2HA       GLY 159  -4.040   4.419   4.419
  749   2HA   GLY 159          1HA       GLY 159  -4.131   3.575   3.575
  750    H    PHE 160           H        PHE 160  -2.881   2.786   2.786
  751    HA   PHE 160           HA       PHE 160  -4.148   0.158   0.158
  752   1HB   PHE 160          2HB       PHE 160  -3.067   1.162   1.162
  753   2HB   PHE 160          1HB       PHE 160  -4.521   0.223   0.223
  754    HD1  PHE 160           HD1      PHE 160  -6.544   1.481   1.481
  755    HD2  PHE 160           HD2      PHE 160  -3.213   3.405   3.405
  756    HE1  PHE 160           HE1      PHE 160  -7.918   3.486   3.486
  757    HE2  PHE 160           HE2      PHE 160  -4.581   5.412   5.412
  758    HZ   PHE 160           HZ       PHE 160  -6.937   5.455   5.455
  759    H    SER 161           H        SER 161  -2.614  -1.336  -1.336
  760    HA   SER 161           HA       SER 161   0.160  -0.676  -0.676
  761   1HB   SER 161          1HB       SER 161  -0.146  -1.015  -1.015
  762   2HB   SER 161          2HB       SER 161  -0.818  -2.616  -2.616
  763    HG   SER 161           HG       SER 161   1.174  -3.268  -3.268
  764    H    TYR 162           H        TYR 162   1.264  -1.941  -1.941
  765    HA   TYR 162           HA       TYR 162  -0.149  -4.133  -4.133
  766   1HB   TYR 162          1HB       TYR 162   2.587  -3.098  -3.098
  767   2HB   TYR 162          2HB       TYR 162   1.460  -3.992  -3.992
  768    HD1  TYR 162           HD2      TYR 162  -0.943  -2.192  -2.192
  769    HD2  TYR 162           HD1      TYR 162   2.808  -1.396  -1.396
  770    HE1  TYR 162           HE2      TYR 162  -1.834  -0.079  -0.079
  771    HE2  TYR 162           HE1      TYR 162   1.925   0.720   0.720
  772    HH   TYR 162           HH2      TYR 162  -0.386   1.653   1.653
  773    H    ILE 163           H        ILE 163   1.996  -5.715  -5.715
  774    HA   ILE 163           HA       ILE 163   3.570  -6.544  -6.544
  775    HB   ILE 163           HB       ILE 163   2.383  -8.945  -8.945
  776   1HG1  ILE 163          1HG1      ILE 163   0.049  -7.032  -7.032
  777   2HG1  ILE 163          2HG1      ILE 163   0.601  -7.843  -7.843
  778   1HG2  ILE 163          2HG2      ILE 163   2.413  -6.806  -6.806
  779   2HG2  ILE 163          1HG2      ILE 163   0.929  -7.752  -7.752
  780   3HG2  ILE 163          3HG2      ILE 163   2.495  -8.550  -8.550
  781   1HD1  ILE 163          1HD1      ILE 163   0.287  -9.796  -9.796
  782   2HD1  ILE 163          3HD1      ILE 163  -1.165  -8.797  -8.797
  783   3HD1  ILE 163          2HD1      ILE 163  -0.606  -9.612  -9.612
  784    H    CYS 164           H        CYS 164   4.928  -8.387  -8.387
  785    HA   CYS 164           HA       CYS 164   4.959  -9.519  -9.519
  786   1HB   CYS 164          2HB       CYS 164   6.016  -7.401  -7.401
  787   2HB   CYS 164          1HB       CYS 164   7.132  -7.583  -7.583
  788    HG   CYS 164           HG       CYS 164   7.276  -9.301  -9.301
  789    H    ARG 165           H        ARG 165   5.736 -11.530 -11.530
  790    HA   ARG 165           HA       ARG 165   6.951 -12.370 -12.370
  791   1HB   ARG 165          2HB       ARG 165   6.710 -14.377 -14.377
  792   2HB   ARG 165          1HB       ARG 165   6.182 -14.443 -14.443
  793   1HG   ARG 165          2HG       ARG 165   4.125 -14.403 -14.403
  794   2HG   ARG 165          1HG       ARG 165   4.404 -12.673 -12.673
  795   1HD   ARG 165          1HD       ARG 165   3.797 -13.173 -13.173
  796   2HD   ARG 165          2HD       ARG 165   5.525 -13.503 -13.503
  797    HE   ARG 165           HE       ARG 165   4.977 -15.658 -15.658
  798   1HH1  ARG 165          1HH1      ARG 165   2.415 -14.271 -14.271
  799   2HH1  ARG 165          2HH1      ARG 165   1.438 -15.701 -15.701
  800   1HH2  ARG 165          1HH2      ARG 165   3.698 -17.545 -17.545
  801   2HH2  ARG 165          2HH2      ARG 165   2.168 -17.562 -17.562
  802    H    ASP 166           H        ASP 166   9.011 -11.435 -11.435
  803    HA   ASP 166           HA       ASP 166  11.198 -11.196 -11.196
  804   1HB   ASP 166          1HB       ASP 166  12.406 -13.263 -13.263
  805   2HB   ASP 166          2HB       ASP 166  11.047 -13.483 -13.483
  806    H    GLY 167           H        GLY 167  12.719 -12.738 -12.738
  807   1HA   GLY 167          2HA       GLY 167  12.758 -13.194 -13.194
  808   2HA   GLY 167          1HA       GLY 167  11.428 -12.060 -12.060
  809    H    THR 168           H        THR 168  11.955  -9.758  -9.758
  810    HA   THR 168           HA       THR 168  14.758  -9.106  -9.106
  811    HB   THR 168           HB       THR 168  12.369  -7.639  -7.639
  812    HG1  THR 168          1HG       THR 168  12.926  -8.617  -8.617
  813   1HG2  THR 168          1HG2      THR 168  15.207  -7.048  -7.048
  814   2HG2  THR 168          3HG2      THR 168  14.542  -7.088  -7.088
  815   3HG2  THR 168          2HG2      THR 168  13.837  -6.019  -6.019
  816    H    THR 169           H        THR 169  12.844  -9.122  -9.122
  817    HA   THR 169           HA       THR 169  13.546  -6.422  -6.422
  818    HB   THR 169           HB       THR 169  11.029  -7.899  -7.899
  819    HG1  THR 169          1HG       THR 169  10.905  -7.288  -7.288
  820   1HG2  THR 169          1HG2      THR 169  12.240  -5.778  -5.778
  821   2HG2  THR 169          3HG2      THR 169  11.019  -5.017  -5.017
  822   3HG2  THR 169          2HG2      THR 169  10.548  -6.254  -6.254
  823    H    ARG 170           H        ARG 170  14.730  -9.159  -9.159
  824    HA   ARG 170           HA       ARG 170  16.067 -10.043 -10.043
  825   1HB   ARG 170          1HB       ARG 170  14.484  -8.594  -8.594
  826   2HB   ARG 170          2HB       ARG 170  16.116  -9.235  -9.235
  827   1HG   ARG 170          1HG       ARG 170  15.165  -6.771  -6.771
  828   2HG   ARG 170          2HG       ARG 170  16.392  -6.925  -6.925
  829   1HD   ARG 170          1HD       ARG 170  16.615  -7.937  -7.937
  830   2HD   ARG 170          2HD       ARG 170  17.419  -6.514  -6.514
  831    HE   ARG 170           HE       ARG 170  18.032  -8.890  -8.890
  832   1HH1  ARG 170          1HH1      ARG 170  18.816  -7.053  -7.053
  833   2HH1  ARG 170          2HH1      ARG 170  20.425  -7.681  -7.681
  834   1HH2  ARG 170          1HH2      ARG 170  20.151  -9.724  -9.724
  835   2HH2  ARG 170          2HH2      ARG 170  21.185  -9.199  -9.199
  836    H    ARG 171           H        ARG 171  12.923  -9.656  -9.656
  837    HA   ARG 171           HA       ARG 171  12.423 -12.513 -12.513
  838   1HB   ARG 171          1HB       ARG 171  12.192 -12.942 -12.942
  839   2HB   ARG 171          2HB       ARG 171  13.757 -12.179 -12.179
  840   1HG   ARG 171          2HG       ARG 171  13.237 -10.468 -10.468
  841   2HG   ARG 171          1HG       ARG 171  11.666 -10.242 -10.242
  842   1HD   ARG 171          1HD       ARG 171  10.666 -11.136 -11.136
  843   2HD   ARG 171          2HD       ARG 171  11.555 -12.637 -12.637
  844    HE   ARG 171           HE       ARG 171  13.335 -11.054 -11.054
  845   1HH1  ARG 171          1HH1      ARG 171  10.057 -12.041 -12.041
  846   2HH1  ARG 171          2HH1      ARG 171  10.235 -11.974 -11.974
  847   1HH2  ARG 171          1HH2      ARG 171  12.239 -11.361 -11.361
  848   2HH2  ARG 171          2HH2      ARG 171  13.581 -10.964 -10.964
  849    H    TRP 172           H        TRP 172  10.329 -12.574 -12.574
  850    HA   TRP 172           HA       TRP 172   8.187 -11.560 -11.560
  851   1HB   TRP 172          1HB       TRP 172   8.471 -12.969 -12.969
  852   2HB   TRP 172          2HB       TRP 172   6.985 -12.059 -12.059
  853    HD1  TRP 172           HD1      TRP 172   5.114 -13.309 -13.309
  854    HE1  TRP 172           HE1      TRP 172   4.959 -15.449 -15.449
  855    HE3  TRP 172           HE3      TRP 172  10.091 -14.441 -14.441
  856    HZ2  TRP 172          2HZ       TRP 172   6.712 -17.361 -17.361
  857    HZ3  TRP 172           HZ3      TRP 172  10.768 -16.444 -16.444
  858    HH2  TRP 172           HH2      TRP 172   9.112 -17.873 -17.873
  859    H    MET 173           H        MET 173   8.331  -9.370  -9.370
  860    HA   MET 173           HA       MET 173   8.317  -7.744  -7.744
  861   1HB   MET 173          1HB       MET 173   8.956  -6.790  -6.790
  862   2HB   MET 173          2HB       MET 173   9.236  -5.943  -5.943
  863   1HG   MET 173          1HG       MET 173  10.618  -8.323  -8.323
  864   2HG   MET 173          2HG       MET 173  10.894  -7.861  -7.861
  865   1HE   MET 173          2HE       MET 173  10.618  -6.438  -6.438
  866   2HE   MET 173          1HE       MET 173  11.794  -5.123  -5.123
  867   3HE   MET 173          3HE       MET 173  10.289  -4.934  -4.934
  868    H    CYS 174           H        CYS 174   7.046  -5.818  -5.818
  869    HA   CYS 174           HA       CYS 174   4.561  -6.077  -6.077
  870   1HB   CYS 174          2HB       CYS 174   5.097  -5.589  -5.589
  871   2HB   CYS 174          1HB       CYS 174   3.999  -4.403  -4.403
  872    HG   CYS 174           HG       CYS 174   2.262  -6.185  -6.185
  873    H    HIS 175           H        HIS 175   3.411  -3.813  -3.813
  874    HA   HIS 175           HA       HIS 175   5.381  -1.695  -1.695
  875   1HB   HIS 175          2HB       HIS 175   3.286  -2.609  -2.609
  876   2HB   HIS 175          1HB       HIS 175   4.215  -1.124  -1.124
  877    HD1  HIS 175           HD1      HIS 175   6.534  -1.334  -1.334
  878    HD2  HIS 175           HD2      HIS 175   4.827  -4.998  -4.998
  879    HE1  HIS 175           HE1      HIS 175   8.046  -3.103  -3.103
  880    H    GLY 176           H        GLY 176   4.419  -1.055  -1.055
  881   1HA   GLY 176          1HA       GLY 176   1.675  -0.238  -0.238
  882   2HA   GLY 176          2HA       GLY 176   2.892   0.079   0.079
  883    H    PHE 177           H        PHE 177   0.783   1.616   1.616
  884    HA   PHE 177           HA       PHE 177   2.276   4.082   4.082
  885   1HB   PHE 177          1HB       PHE 177   1.994   4.677   4.677
  886   2HB   PHE 177          2HB       PHE 177   2.774   3.101   3.101
  887    HD1  PHE 177           HD2      PHE 177   0.678   1.196   1.196
  888    HD2  PHE 177           HD1      PHE 177   0.687   4.837   4.837
  889    HE1  PHE 177           HE2      PHE 177  -1.052   0.293   0.293
  890    HE2  PHE 177           HE1      PHE 177  -1.044   3.943   3.943
  891    HZ   PHE 177           HZ       PHE 177  -1.916   1.666   1.666
  892    H    LEU 178           H        LEU 178   0.873   5.969   5.969
  893    HA   LEU 178           HA       LEU 178  -1.976   5.378   5.378
  894   1HB   LEU 178          2HB       LEU 178  -0.631   5.954   5.954
  895   2HB   LEU 178          1HB       LEU 178  -0.578   7.584   7.584
  896    HG   LEU 178           HG       LEU 178  -3.269   6.901   6.901
  897   1HD1  LEU 178          3HD2      LEU 178  -2.103   5.131   5.131
  898   2HD1  LEU 178          2HD2      LEU 178  -2.866   6.377   6.377
  899   3HD1  LEU 178          1HD2      LEU 178  -3.819   5.484   5.484
  900   1HD2  LEU 178          2HD1      LEU 178  -1.538   8.695   8.695
  901   2HD2  LEU 178          1HD1      LEU 178  -3.047   9.021   9.021
  902   3HD2  LEU 178          3HD1      LEU 178  -3.080   8.328   8.328
  903    H    ALA 179           H        ALA 179  -3.267   6.487   6.487
  904    HA   ALA 179           HA       ALA 179  -2.429   8.042   8.042
  905   1HB   ALA 179          2HB       ALA 179  -4.666   7.113   7.113
  906   2HB   ALA 179          1HB       ALA 179  -5.079   8.244   8.244
  907   3HB   ALA 179          3HB       ALA 179  -4.729   8.843   8.843
  908    H    CYS 180           H        CYS 180  -1.902  10.110  10.110
  909    HA   CYS 180           HA       CYS 180  -1.060  11.791  11.791
  910   1HB   CYS 180          2HB       CYS 180  -1.236  11.876  11.876
  911   2HB   CYS 180          1HB       CYS 180  -1.705  13.433  13.433
  912    HG   CYS 180           HG       CYS 180   0.623  13.820  13.820
  913    H    LYS 181           H        LYS 181  -3.866  12.345  12.345
  914    HA   LYS 181           HA       LYS 181  -4.982  14.397  14.397
  915   1HB   LYS 181          1HB       LYS 181  -6.570  12.553  12.553
  916   2HB   LYS 181          2HB       LYS 181  -6.893  14.239  14.239
  917   1HG   LYS 181          2HG       LYS 181  -4.703  13.136  13.136
  918   2HG   LYS 181          1HG       LYS 181  -6.072  14.140  14.140
  919   1HD   LYS 181          2HD       LYS 181  -5.178  15.970  15.970
  920   2HD   LYS 181          1HD       LYS 181  -3.774  14.965  14.965
  921   1HE   LYS 181          2HE       LYS 181  -4.301  15.165  15.165
  922   2HE   LYS 181          1HE       LYS 181  -4.001  16.732  16.732
  923   1HZ   LYS 181          3HZ       LYS 181  -2.092  15.070  15.070
  924   2HZ   LYS 181          2HZ       LYS 181  -2.167  14.633  14.633
  925   3HZ   LYS 181          1HZ       LYS 181  -1.857  16.239  16.239
  926    H    ASP 182           H        ASP 182  -5.188  10.931  10.931
  927    HA   ASP 182           HA       ASP 182  -6.128   9.505   9.505
  928   1HB   ASP 182          1HB       ASP 182  -5.280  11.775  11.775
  929   2HB   ASP 182          2HB       ASP 182  -6.843  11.293  11.293
  930    H    SER 183           H        SER 183  -7.943   9.311   9.311
  931    HA   SER 183           HA       SER 183 -10.423   9.655   9.655
  932   1HB   SER 183          2HB       SER 183  -9.602  11.890  11.890
  933   2HB   SER 183          1HB       SER 183 -10.817  11.085  11.085
  934    HG   SER 183           HG       SER 183 -12.059  12.254  12.254
  935    H    GLY 184           H        GLY 184  -8.813   7.607   7.607
  936   1HA   GLY 184          2HA       GLY 184  -9.011   5.950   5.950
  937   2HA   GLY 184          1HA       GLY 184 -10.663   5.932   5.932
  938    H    GLU 185           H        GLU 185  -9.314   8.663   8.663
  939    HA   GLU 185           HA       GLU 185 -10.718   7.877   7.877
  940   1HB   GLU 185          2HB       GLU 185 -11.351  10.201  10.201
  941   2HB   GLU 185          1HB       GLU 185 -11.440  10.442  10.442
  942   1HG   GLU 185          2HG       GLU 185 -13.484   9.608   9.608
  943   2HG   GLU 185          1HG       GLU 185 -12.785   8.046   8.046
  944    H    ARG 186           H        ARG 186  -8.122   7.679   7.679
  945    HA   ARG 186           HA       ARG 186  -7.279   9.599   9.599
  946   1HB   ARG 186          1HB       ARG 186  -6.943  10.549  10.549
  947   2HB   ARG 186          2HB       ARG 186  -5.416   9.707   9.707
  948   1HG   ARG 186          2HG       ARG 186  -4.708  11.588  11.588
  949   2HG   ARG 186          1HG       ARG 186  -5.674  11.098  11.098
  950   1HD   ARG 186          1HD       ARG 186  -7.172  12.474  12.474
  951   2HD   ARG 186          2HD       ARG 186  -5.942  13.458  13.458
  952    HE   ARG 186           HE       ARG 186  -7.373  12.198  12.198
  953   1HH1  ARG 186          1HH2      ARG 186  -7.980  14.477  14.477
  954   2HH1  ARG 186          2HH2      ARG 186  -9.264  15.279  15.279
  955   1HH2  ARG 186          2HH1      ARG 186  -9.063  13.246  13.246
  956   2HH2  ARG 186          1HH1      ARG 186  -9.880  14.578  14.578
  957    H    LEU 187           H        LEU 187  -6.272   7.151   7.151
  958    HA   LEU 187           HA       LEU 187  -4.428   6.072   6.072
  959   1HB   LEU 187          2HB       LEU 187  -4.261   6.205   6.205
  960   2HB   LEU 187          1HB       LEU 187  -3.455   4.899   4.899
  961    HG   LEU 187           HG       LEU 187  -2.028   6.415   6.415
  962   1HD1  LEU 187          1HD1      LEU 187  -3.849   8.552   8.552
  963   2HD1  LEU 187          3HD1      LEU 187  -2.256   8.895   8.895
  964   3HD1  LEU 187          2HD1      LEU 187  -3.502   8.160   8.160
  965   1HD2  LEU 187          1HD2      LEU 187  -2.067   6.205   6.205
  966   2HD2  LEU 187          3HD2      LEU 187  -0.709   6.694   6.694
  967   3HD2  LEU 187          2HD2      LEU 187  -1.783   7.915   7.915
  968    H    SER 188           H        SER 188  -6.678   5.209   5.209
  969    HA   SER 188           HA       SER 188  -6.726   2.460   2.460
  970   1HB   SER 188          2HB       SER 188  -8.160   4.331   4.331
  971   2HB   SER 188          1HB       SER 188  -9.387   3.529   3.529
  972    HG   SER 188           HG       SER 188  -9.252   2.065   2.065
  973    H    HIS 189           H        HIS 189  -8.755   4.897   4.897
  974    HA   HIS 189           HA       HIS 189  -9.946   2.906   2.906
  975   1HB   HIS 189          2HB       HIS 189 -10.215   5.900   5.900
  976   2HB   HIS 189          1HB       HIS 189 -10.973   4.993   4.993
  977    HD1  HIS 189           HD1      HIS 189 -12.674   6.546   6.546
  978    HD2  HIS 189           HD2      HIS 189 -11.708   2.511   2.511
  979    HE1  HIS 189           HE1      HIS 189 -14.433   5.479   5.479
  980    H    ALA 190           H        ALA 190  -7.332   5.192   5.192
  981    HA   ALA 190           HA       ALA 190  -7.042   5.262   5.262
  982   1HB   ALA 190          1HB       ALA 190  -5.086   5.887   5.887
  983   2HB   ALA 190          3HB       ALA 190  -4.790   6.187   6.187
  984   3HB   ALA 190          2HB       ALA 190  -6.099   7.029   7.029
  985    H    VAL 191           H        VAL 191  -5.124   3.601   3.601
  986    HA   VAL 191           HA       VAL 191  -3.771   1.981   1.981
  987    HB   VAL 191           HB       VAL 191  -3.762   1.156   1.156
  988   1HG1  VAL 191          1HG2      VAL 191  -2.124   0.877   0.877
  989   2HG1  VAL 191          3HG2      VAL 191  -1.179   1.444   1.444
  990   3HG1  VAL 191          2HG2      VAL 191  -2.107  -0.050  -0.050
  991   1HG2  VAL 191          3HG1      VAL 191  -3.080   3.860   3.860
  992   2HG2  VAL 191          2HG1      VAL 191  -3.364   3.234   3.234
  993   3HG2  VAL 191          1HG1      VAL 191  -1.782   3.043   3.043
  994    H    GLY 192           H        GLY 192  -6.625   1.707   1.707
  995   1HA   GLY 192          1HA       GLY 192  -6.994  -1.036  -1.036
  996   2HA   GLY 192          2HA       GLY 192  -8.302   0.130   0.130
  997    H    CYS 193           H        CYS 193  -7.369   1.109   1.109
  998    HA   CYS 193           HA       CYS 193  -8.444  -1.020  -1.020
  999   1HB   CYS 193          2HB       CYS 193  -8.893   1.671   1.671
 1000   2HB   CYS 193          1HB       CYS 193  -7.686   1.539   1.539
 1001    HG   CYS 193           HG       CYS 193 -10.556   0.911   0.911
 1002    H    ALA 194           H        ALA 194  -5.447   0.465   0.465
 1003    HA   ALA 194           HA       ALA 194  -3.882   0.250   0.250
 1004   1HB   ALA 194          3HB       ALA 194  -3.066   1.110   1.110
 1005   2HB   ALA 194          2HB       ALA 194  -3.111  -0.508  -0.508
 1006   3HB   ALA 194          1HB       ALA 194  -1.988  -0.143  -0.143
 1007    H    PHE 195           H        PHE 195  -4.955  -2.362  -2.362
 1008    HA   PHE 195           HA       PHE 195  -3.385  -4.364  -4.364
 1009   1HB   PHE 195          1HB       PHE 195  -5.738  -4.683  -4.683
 1010   2HB   PHE 195          2HB       PHE 195  -4.609  -5.951  -5.951
 1011    HD1  PHE 195           HD1      PHE 195  -4.935  -2.770  -2.770
 1012    HD2  PHE 195           HD2      PHE 195  -2.518  -6.187  -6.187
 1013    HE1  PHE 195           HE1      PHE 195  -3.469  -2.153  -2.153
 1014    HE2  PHE 195           HE2      PHE 195  -1.047  -5.575  -5.575
 1015    HZ   PHE 195           HZ       PHE 195  -1.522  -3.557  -3.557
 1016    H    ALA 196           H        ALA 196  -6.486  -2.929  -2.929
 1017    HA   ALA 196           HA       ALA 196  -7.921  -4.885  -4.885
 1018   1HB   ALA 196          1HB       ALA 196  -8.747  -2.610  -2.610
 1019   2HB   ALA 196          3HB       ALA 196  -7.804  -1.986  -1.986
 1020   3HB   ALA 196          2HB       ALA 196  -9.121  -3.123  -3.123
 1021    H    VAL 197           H        VAL 197  -5.240  -2.950  -2.950
 1022    HA   VAL 197           HA       VAL 197  -5.491  -3.912  -3.912
 1023    HB   VAL 197           HB       VAL 197  -3.263  -2.366  -2.366
 1024   1HG1  VAL 197          1HG2      VAL 197  -3.666  -3.229  -3.229
 1025   2HG1  VAL 197          3HG2      VAL 197  -2.662  -1.844  -1.844
 1026   3HG1  VAL 197          2HG2      VAL 197  -2.249  -3.450  -3.450
 1027   1HG2  VAL 197          3HG1      VAL 197  -5.617  -1.553  -1.553
 1028   2HG2  VAL 197          2HG1      VAL 197  -5.175  -0.991  -0.991
 1029   3HG2  VAL 197          1HG1      VAL 197  -4.206  -0.518  -0.518
 1030    H    CYS 198           H        CYS 198  -3.715  -4.765  -4.765
 1031    HA   CYS 198           HA       CYS 198  -1.680  -6.339  -6.339
 1032   1HB   CYS 198          2HB       CYS 198  -1.902  -5.838  -5.838
 1033   2HB   CYS 198          1HB       CYS 198  -3.353  -6.831  -6.831
 1034    HG   CYS 198           HG       CYS 198  -1.378  -8.252  -8.252
 1035    H    LEU 199           H        LEU 199  -5.078  -7.112  -7.112
 1036    HA   LEU 199           HA       LEU 199  -4.664  -9.698  -9.698
 1037   1HB   LEU 199          2HB       LEU 199  -7.146  -9.970  -9.970
 1038   2HB   LEU 199          1HB       LEU 199  -5.769 -10.307 -10.307
 1039    HG   LEU 199           HG       LEU 199  -6.952  -7.564  -7.564
 1040   1HD1  LEU 199          1HD2      LEU 199  -8.762  -9.398  -9.398
 1041   2HD1  LEU 199          3HD2      LEU 199  -8.045  -9.714  -9.714
 1042   3HD1  LEU 199          2HD2      LEU 199  -8.709  -8.121  -8.121
 1043   1HD2  LEU 199          1HD1      LEU 199  -4.838  -8.257  -8.257
 1044   2HD2  LEU 199          3HD1      LEU 199  -6.089  -7.491  -7.491
 1045   3HD2  LEU 199          2HD1      LEU 199  -5.873  -9.240  -9.240
 1046    H    GLU 200           H        GLU 200  -6.240  -6.615  -6.615
 1047    HA   GLU 200           HA       GLU 200  -7.429  -5.567  -5.567
 1048   1HB   GLU 200          2HB       GLU 200  -5.583  -6.146  -6.146
 1049   2HB   GLU 200          1HB       GLU 200  -6.233  -7.761  -7.761
 1050   1HG   GLU 200          1HG       GLU 200  -8.250  -5.924  -5.924
 1051   2HG   GLU 200          2HG       GLU 200  -6.745  -5.375  -5.375
 1052    H    ARG 201           H        ARG 201  -9.552  -5.532  -5.532
 1053    HA   ARG 201           HA       ARG 201 -11.708  -6.171  -6.171
 1054   1HB   ARG 201          1HB       ARG 201 -10.367  -7.753  -7.753
 1055   2HB   ARG 201          2HB       ARG 201 -11.055  -8.980  -8.980
 1056   1HG   ARG 201          1HG       ARG 201 -13.145  -7.206  -7.206
 1057   2HG   ARG 201          2HG       ARG 201 -12.305  -7.457  -7.457
 1058   1HD   ARG 201          1HD       ARG 201 -13.630  -9.275  -9.275
 1059   2HD   ARG 201          2HD       ARG 201 -12.393  -9.988  -9.988
 1060    HE   ARG 201           HE       ARG 201 -13.922 -10.075 -10.075
 1061   1HH1  ARG 201          2HH2      ARG 201 -15.033  -7.817  -7.817
 1062   2HH1  ARG 201          1HH2      ARG 201 -16.573  -7.571  -7.571
 1063   1HH2  ARG 201          1HH1      ARG 201 -15.946  -9.760  -9.760
 1064   2HH2  ARG 201          2HH1      ARG 201 -17.093  -8.676  -8.676
 1065    H    LYS 202           H        LYS 202 -10.037  -6.800  -6.800
 1066    HA   LYS 202           HA       LYS 202 -10.245  -7.872  -7.872
 1067   1HB   LYS 202          1HB       LYS 202 -13.205  -7.851  -7.851
 1068   2HB   LYS 202          2HB       LYS 202 -12.369  -7.651  -7.651
 1069   1HG   LYS 202          2HG       LYS 202 -12.388  -5.674  -5.674
 1070   2HG   LYS 202          1HG       LYS 202 -13.311  -5.549  -5.549
 1071   1HD   LYS 202          1HD       LYS 202 -10.319  -5.789  -5.789
 1072   2HD   LYS 202          2HD       LYS 202 -11.124  -4.228  -4.228
 1073   1HE   LYS 202          2HE       LYS 202 -12.401  -5.472  -5.472
 1074   2HE   LYS 202          1HE       LYS 202 -10.690  -5.835  -5.835
 1075   1HZ   LYS 202          2HZ       LYS 202 -11.568  -3.085  -3.085
 1076   2HZ   LYS 202          1HZ       LYS 202 -11.635  -3.678  -3.678
 1077   3HZ   LYS 202          3HZ       LYS 202 -10.154  -3.608  -3.608
 1078    H    GLN 203           H        GLN 203  -9.583  -9.737  -9.737
 1079    HA   GLN 203           HA       GLN 203 -11.270 -11.887 -11.887
 1080   1HB   GLN 203          1HB       GLN 203  -8.978 -11.626 -11.626
 1081   2HB   GLN 203          2HB       GLN 203  -8.315 -12.050 -12.050
 1082   1HG   GLN 203          1HG       GLN 203  -8.213 -14.046 -14.046
 1083   2HG   GLN 203          2HG       GLN 203  -9.726 -14.200 -14.200
 1084   1HE2  GLN 203          2HE2      GLN 203 -11.634 -14.696 -14.696
 1085   2HE2  GLN 203          1HE2      GLN 203 -11.447 -14.790 -14.790
 1086    H    ARG 204           H        ARG 204  -9.158 -11.258 -11.258
 1087    HA   ARG 204           HA       ARG 204  -8.976 -12.288 -12.288
 1088   1HB   ARG 204          2HB       ARG 204 -11.919 -11.825 -11.825
 1089   2HB   ARG 204          1HB       ARG 204 -11.299 -12.487 -12.487
 1090   1HG   ARG 204          1HG       ARG 204 -10.383 -10.525 -10.525
 1091   2HG   ARG 204          2HG       ARG 204  -9.998 -10.031 -10.031
 1092   1HD   ARG 204          2HD       ARG 204 -11.727  -8.609  -8.609
 1093   2HD   ARG 204          1HD       ARG 204 -12.334  -9.500  -9.500
 1094    HE   ARG 204           HE       ARG 204 -13.004 -11.074 -11.074
 1095   1HH1  ARG 204          1HH1      ARG 204 -13.526  -7.721  -7.721
 1096   2HH1  ARG 204          2HH1      ARG 204 -15.025  -7.619  -7.619
 1097   1HH2  ARG 204          2HH2      ARG 204 -14.978 -10.952 -10.952
 1098   2HH2  ARG 204          1HH2      ARG 204 -15.852  -9.456  -9.456
 1099    H    ARG 205           H        ARG 205  -8.117 -14.302 -14.302
 1100    HA   ARG 205           HA       ARG 205  -9.571 -16.542 -16.542
 1101   1HB   ARG 205          2HB       ARG 205  -7.143 -16.470 -16.470
 1102   2HB   ARG 205          1HB       ARG 205  -7.011 -16.390 -16.390
 1103   1HG   ARG 205          1HG       ARG 205  -7.884 -18.627 -18.627
 1104   2HG   ARG 205          2HG       ARG 205  -8.174 -18.711 -18.711
 1105   1HD   ARG 205          2HD       ARG 205  -5.573 -18.720 -18.720
 1106   2HD   ARG 205          1HD       ARG 205  -6.169 -19.862 -19.862
 1107    HE   ARG 205           HE       ARG 205  -4.795 -17.380 -17.380
 1108   1HH1  ARG 205          1HH2      ARG 205  -6.924 -19.801 -19.801
 1109   2HH1  ARG 205          2HH2      ARG 205  -6.534 -19.438 -19.438
 1110   1HH2  ARG 205          1HH1      ARG 205  -4.273 -16.891 -16.891
 1111   2HH2  ARG 205          2HH1      ARG 205  -5.026 -17.782 -17.782
 1112    H    THR 206           H        THR 206 -11.485 -16.154 -16.154
 1113    HA   THR 206           HA       THR 206 -11.125 -17.360 -17.360
 1114    HB   THR 206           HB       THR 206 -13.310 -16.249 -16.249
 1115    HG1  THR 206          1HG       THR 206 -13.751 -15.961 -15.961
 1116   1HG2  THR 206          3HG2      THR 206 -11.147 -15.204 -15.204
 1117   2HG2  THR 206          2HG2      THR 206 -11.229 -14.280 -14.280
 1118   3HG2  THR 206          1HG2      THR 206 -12.459 -14.054 -14.054
 1119    H    ARG 207           H        ARG 207 -11.304 -18.969 -18.969
 1120    HA   ARG 207           HA       ARG 207 -13.827 -20.356 -20.356
 1121   1HB   ARG 207          2HB       ARG 207 -12.785 -19.487 -19.487
 1122   2HB   ARG 207          1HB       ARG 207 -13.737 -20.960 -20.960
 1123   1HG   ARG 207          2HG       ARG 207 -15.427 -19.449 -19.449
 1124   2HG   ARG 207          1HG       ARG 207 -14.557 -18.133 -18.133
 1125   1HD   ARG 207          1HD       ARG 207 -16.391 -18.689 -18.689
 1126   2HD   ARG 207          2HD       ARG 207 -14.938 -19.317 -19.317
 1127    HE   ARG 207           HE       ARG 207 -16.039 -21.344 -21.344
 1128   1HH1  ARG 207          2HH1      ARG 207 -16.781 -19.517 -19.517
 1129   2HH1  ARG 207          1HH1      ARG 207 -17.715 -20.785 -20.785
 1130   1HH2  ARG 207          2HH2      ARG 207 -17.267 -23.021 -23.021
 1131   2HH2  ARG 207          1HH2      ARG 207 -17.992 -22.777 -22.777
 1132    H    ALA 208           H        ALA 208 -10.879 -20.714 -20.714
 1133    HA   ALA 208           HA       ALA 208 -10.736 -23.524 -23.524
 1134   1HB   ALA 208          1HB       ALA 208 -10.622 -22.741 -22.741
 1135   2HB   ALA 208          3HB       ALA 208  -8.980 -22.224 -22.224
 1136   3HB   ALA 208          2HB       ALA 208  -9.429 -23.922 -23.922
 1137    H    ALA 209           H        ALA 209 -10.064 -22.746 -22.746
 1138    HA   ALA 209           HA       ALA 209  -7.200 -22.061 -22.061
 1139   1HB   ALA 209          3HB       ALA 209  -8.887 -20.497 -20.497
 1140   2HB   ALA 209          2HB       ALA 209  -9.113 -21.755 -21.755
 1141   3HB   ALA 209          1HB       ALA 209  -7.528 -21.012 -21.012
 1142    H    ALA 210           H        ALA 210  -6.526 -22.782 -22.782
 1143    HA   ALA 210           HA       ALA 210  -6.347 -25.644 -25.644
 1144   1HB   ALA 210          2HB       ALA 210  -4.832 -23.600 -23.600
 1145   2HB   ALA 210          1HB       ALA 210  -5.330 -24.709 -24.709
 1146   3HB   ALA 210          3HB       ALA 210  -4.447 -25.317 -25.317
 1147   1H    ALA   1          1HT       ALA   1 -13.724  -9.475  -9.475
 1148   2H    ALA   1          3HT       ALA   1 -12.236  -9.658  -9.658
 1149   3H    ALA   1          2HT       ALA   1 -13.551  -8.861  -8.861
 1150    HA   ALA   1           HA       ALA   1 -13.454  -7.097  -7.097
 1151   1HB   ALA   1          1HB       ALA   1 -11.045  -7.878  -7.878
 1152   2HB   ALA   1          3HB       ALA   1 -10.925  -6.487  -6.487
 1153   3HB   ALA   1          2HB       ALA   1 -12.133  -6.505  -6.505
 1154    H    TYR   2           H        TYR   2 -11.445  -6.017  -6.017
 1155    HA   TYR   2           HA       TYR   2 -11.500  -7.390  -7.390
 1156   1HB   TYR   2          1HB       TYR   2  -9.696  -5.562  -5.562
 1157   2HB   TYR   2          2HB       TYR   2 -11.384  -5.121  -5.121
 1158    HD1  TYR   2           HD2      TYR   2  -8.916  -5.879  -5.879
 1159    HD2  TYR   2           HD1      TYR   2 -11.193  -2.889  -2.889
 1160    HE1  TYR   2           HE2      TYR   2  -8.265  -4.237  -4.237
 1161    HE2  TYR   2           HE1      TYR   2 -10.548  -1.245  -1.245
 1162    HH   TYR   2           HH2      TYR   2  -9.737  -1.588  -1.588
 1163    H    ILE   3           H        ILE   3  -9.188  -7.322  -7.322
 1164    HA   ILE   3           HA       ILE   3  -7.861  -9.611  -9.611
 1165    HB   ILE   3           HB       ILE   3  -6.516  -7.188  -7.188
 1166   1HG1  ILE   3          1HG1      ILE   3  -7.282  -8.778  -8.778
 1167   2HG1  ILE   3          2HG1      ILE   3  -8.649  -8.947  -8.947
 1168   1HG2  ILE   3          3HG2      ILE   3  -5.027  -9.057  -9.057
 1169   2HG2  ILE   3          2HG2      ILE   3  -5.978 -10.125 -10.125
 1170   3HG2  ILE   3          1HG2      ILE   3  -5.086  -8.778  -8.778
 1171   1HD1  ILE   3          2HD1      ILE   3  -7.916  -6.198  -6.198
 1172   2HD1  ILE   3          1HD1      ILE   3  -8.106  -6.852  -6.852
 1173   3HD1  ILE   3          3HD1      ILE   3  -9.427  -6.980  -6.980
 1174    H    GLY   4           H        GLY   4  -7.431  -6.504  -6.504
 1175   1HA   GLY   4          1HA       GLY   4  -4.910  -6.683  -6.683
 1176   2HA   GLY   4          2HA       GLY   4  -6.277  -5.949  -5.949
 1177    HA   PRO   5           HA       PRO   5  -6.151  -9.127  -9.127
 1178   1HB   PRO   5          2HB       PRO   5  -9.110  -9.226  -9.226
 1179   2HB   PRO   5          1HB       PRO   5  -8.054  -8.817  -8.817
 1180   1HG   PRO   5          1HG       PRO   5  -9.448  -6.921  -6.921
 1181   2HG   PRO   5          2HG       PRO   5  -7.774  -6.617  -6.617
 1182   1HD   PRO   5          2HD       PRO   5  -8.830  -7.333  -7.333
 1183   2HD   PRO   5          1HD       PRO   5  -7.672  -6.065  -6.065
 1184   1HN   PTR   6           H        PTR   6  -5.538 -10.351 -10.351
 1185    HA   PTR   6           HA       PTR   6  -5.728 -12.186 -12.186
 1186   1HB   PTR   6          1HB       PTR   6  -6.899 -13.457 -13.457
 1187   2HB   PTR   6          2HB       PTR   6  -5.185 -13.107 -13.107
 1188    HD1  PTR   6           HD1      PTR   6  -6.079 -13.910 -13.910
 1189    HD2  PTR   6           HD2      PTR   6  -6.025 -15.880 -15.880
 1190    HE1  PTR   6           HE1      PTR   6  -4.987 -15.857 -15.857
 1191    HE2  PTR   6           HE2      PTR   6  -4.689 -17.725 -17.725
 1192    H    LEU   7           H        LEU   7  -7.501 -10.985 -10.985
 1193    HA   LEU   7           HA       LEU   7  -9.531 -10.933 -10.933
 1194   1HB   LEU   7          1HB       LEU   7  -9.082 -13.832 -13.832
 1195   2HB   LEU   7          2HB       LEU   7 -10.618 -13.329 -13.329
 1196    HG   LEU   7           HG       LEU   7  -9.627 -12.606 -12.606
 1197   1HD1  LEU   7          1HD1      LEU   7  -7.136 -12.495 -12.495
 1198   2HD1  LEU   7          3HD1      LEU   7  -7.000 -12.817 -12.817
 1199   3HD1  LEU   7          2HD1      LEU   7  -7.783 -11.341 -11.341
 1200   1HD2  LEU   7          2HD2      LEU   7  -9.192 -15.219 -15.219
 1201   2HD2  LEU   7          1HD2      LEU   7  -9.339 -14.682 -14.682
 1202   3HD2  LEU   7          3HD2      LEU   7  -7.752 -14.755 -14.755

  Start of MODEL    5
    1    HA   SER  64           HA       SER  64 -15.793   6.688   6.688
    2   1HB   SER  64          1HB       SER  64 -14.187   7.387   7.387
    3   2HB   SER  64          2HB       SER  64 -15.245   6.389   6.389
    4    HG   SER  64           HG       SER  64 -15.104   8.197   8.197
    5    H    LYS  65           H        LYS  65 -14.999   8.620   8.620
    6    HA   LYS  65           HA       LYS  65 -16.990  10.607  10.607
    7   1HB   LYS  65          1HB       LYS  65 -14.227  10.086  10.086
    8   2HB   LYS  65          2HB       LYS  65 -14.826  11.733  11.733
    9   1HG   LYS  65          1HG       LYS  65 -16.190   9.292   9.292
   10   2HG   LYS  65          2HG       LYS  65 -15.191  10.418  10.418
   11   1HD   LYS  65          2HD       LYS  65 -16.766  12.241  12.241
   12   2HD   LYS  65          1HD       LYS  65 -17.815  10.984  10.984
   13   1HE   LYS  65          2HE       LYS  65 -17.265  10.083  10.083
   14   2HE   LYS  65          1HE       LYS  65 -17.416  11.827  11.827
   15   1HZ   LYS  65          3HZ       LYS  65 -19.473  10.800  10.800
   16   2HZ   LYS  65          2HZ       LYS  65 -19.466  10.017  10.017
   17   3HZ   LYS  65          1HZ       LYS  65 -19.602  11.701  11.701
   18    HA   PRO  66           HA       PRO  66 -15.958  13.402  13.402
   19   1HB   PRO  66          1HB       PRO  66 -17.104  15.654  15.654
   20   2HB   PRO  66          2HB       PRO  66 -18.056  14.286  14.286
   21   1HG   PRO  66          1HG       PRO  66 -17.377  15.052  15.052
   22   2HG   PRO  66          2HG       PRO  66 -18.926  14.504  14.504
   23   1HD   PRO  66          2HD       PRO  66 -17.233  12.861  12.861
   24   2HD   PRO  66          1HD       PRO  66 -18.316  12.288  12.288
   25    H    HIS  67           H        HIS  67 -15.144  15.815  15.815
   26    HA   HIS  67           HA       HIS  67 -13.463  17.315  17.315
   27   1HB   HIS  67          1HB       HIS  67 -14.377  16.644  16.644
   28   2HB   HIS  67          2HB       HIS  67 -12.623  16.777  16.777
   29    HD1  HIS  67           HD1      HIS  67 -11.988  19.151  19.151
   30    HD2  HIS  67           HD2      HIS  67 -15.367  18.992  18.992
   31    HE1  HIS  67           HE1      HIS  67 -12.666  21.549  21.549
   32    H    GLN  68           H        GLN  68 -11.109  17.137  17.137
   33    HA   GLN  68           HA       GLN  68  -9.354  15.806  15.806
   34   1HB   GLN  68          1HB       GLN  68  -9.272  16.500  16.500
   35   2HB   GLN  68          2HB       GLN  68  -7.959  15.562  15.562
   36   1HG   GLN  68          2HG       GLN  68  -7.033  17.395  17.395
   37   2HG   GLN  68          1HG       GLN  68  -8.505  17.784  17.784
   38   1HE2  GLN  68          2HE2      GLN  68  -7.974  19.390  19.390
   39   2HE2  GLN  68          1HE2      GLN  68  -7.332  17.833  17.833
   40    H    TRP  69           H        TRP  69 -11.220  14.441  14.441
   41    HA   TRP  69           HA       TRP  69  -9.984  11.985  11.985
   42   1HB   TRP  69          1HB       TRP  69 -12.701  13.058  13.058
   43   2HB   TRP  69          2HB       TRP  69 -12.581  11.306  11.306
   44    HD1  TRP  69           HD1      TRP  69  -9.533  11.432  11.432
   45    HE1  TRP  69           HE1      TRP  69  -9.500  11.595  11.595
   46    HE3  TRP  69           HE3      TRP  69 -14.292  13.135  13.135
   47    HZ2  TRP  69          2HZ       TRP  69 -11.263  12.349  12.349
   48    HZ3  TRP  69           HZ3      TRP  69 -15.041  13.551  13.551
   49    HH2  TRP  69           HH2      TRP  69 -13.557  13.166  13.166
   50    H    GLN  70           H        GLN  70 -12.476  12.959  12.959
   51    HA   GLN  70           HA       GLN  70 -13.092  10.569  10.569
   52   1HB   GLN  70          1HB       GLN  70 -13.813  11.777  11.777
   53   2HB   GLN  70          2HB       GLN  70 -13.991  12.885  12.885
   54   1HG   GLN  70          2HG       GLN  70 -11.492  13.499  13.499
   55   2HG   GLN  70          1HG       GLN  70 -12.264  13.050  13.050
   56   1HE2  GLN  70          2HE2      GLN  70 -12.710  16.700  16.700
   57   2HE2  GLN  70          1HE2      GLN  70 -11.336  15.656  15.656
   58    H    ALA  71           H        ALA  71 -10.176  12.456  12.456
   59    HA   ALA  71           HA       ALA  71  -9.174  10.792  10.792
   60   1HB   ALA  71          2HB       ALA  71  -8.235  13.229  13.229
   61   2HB   ALA  71          1HB       ALA  71  -7.044  12.232  12.232
   62   3HB   ALA  71          3HB       ALA  71  -8.402  12.915  12.915
   63    H    ASP  72           H        ASP  72  -7.937  11.609  11.609
   64    HA   ASP  72           HA       ASP  72  -5.908   9.781   9.781
   65   1HB   ASP  72          2HB       ASP  72  -7.763  10.596  10.596
   66   2HB   ASP  72          1HB       ASP  72  -6.162   9.884   9.884
   67    H    GLU  73           H        GLU  73  -9.341   9.210   9.210
   68    HA   GLU  73           HA       GLU  73  -9.239   6.670   6.670
   69   1HB   GLU  73          2HB       GLU  73 -11.243   8.355   8.355
   70   2HB   GLU  73          1HB       GLU  73 -11.393   7.146   7.146
   71   1HG   GLU  73          2HG       GLU  73 -11.579   6.735   6.735
   72   2HG   GLU  73          1HG       GLU  73 -12.849   6.524   6.524
   73    H    GLU  74           H        GLU  74  -8.740   7.720   7.720
   74    HA   GLU  74           HA       GLU  74  -8.707   4.945   4.945
   75   1HB   GLU  74          1HB       GLU  74  -8.362   7.405   7.405
   76   2HB   GLU  74          2HB       GLU  74  -8.788   5.777   5.777
   77   1HG   GLU  74          1HG       GLU  74 -10.964   6.066   6.066
   78   2HG   GLU  74          2HG       GLU  74 -10.645   6.979   6.979
   79    H    ALA  75           H        ALA  75  -6.626   7.674   7.674
   80    HA   ALA  75           HA       ALA  75  -4.381   7.106   7.106
   81   1HB   ALA  75          3HB       ALA  75  -4.904   8.476   8.476
   82   2HB   ALA  75          2HB       ALA  75  -3.255   7.878   7.878
   83   3HB   ALA  75          1HB       ALA  75  -3.934   8.975   8.975
   84    H    VAL  76           H        VAL  76  -5.514   5.497   5.497
   85    HA   VAL  76           HA       VAL  76  -3.223   3.968   3.968
   86    HB   VAL  76           HB       VAL  76  -4.926   2.366   2.366
   87   1HG1  VAL  76          2HG2      VAL  76  -4.556   5.221   5.221
   88   2HG1  VAL  76          1HG2      VAL  76  -5.431   4.067   4.067
   89   3HG1  VAL  76          3HG2      VAL  76  -3.737   3.783   3.783
   90   1HG2  VAL  76          3HG1      VAL  76  -6.755   3.573   3.573
   91   2HG2  VAL  76          2HG1      VAL  76  -7.140   2.810   2.810
   92   3HG2  VAL  76          1HG1      VAL  76  -6.902   4.555   4.555
   93    H    ARG  77           H        ARG  77  -5.905   3.552   3.552
   94    HA   ARG  77           HA       ARG  77  -5.433   0.853   0.853
   95   1HB   ARG  77          2HB       ARG  77  -6.601   3.043   3.043
   96   2HB   ARG  77          1HB       ARG  77  -6.822   1.315   1.315
   97   1HG   ARG  77          2HG       ARG  77  -7.775   1.513   1.513
   98   2HG   ARG  77          1HG       ARG  77  -8.104   3.156   3.156
   99   1HD   ARG  77          2HD       ARG  77  -8.974   0.638   0.638
  100   2HD   ARG  77          1HD       ARG  77 -10.002   1.639   1.639
  101    HE   ARG  77           HE       ARG  77  -8.791   3.102   3.102
  102   1HH1  ARG  77          1HH2      ARG  77 -11.453   1.038   1.038
  103   2HH1  ARG  77          2HH2      ARG  77 -12.494   1.624   1.624
  104   1HH2  ARG  77          1HH1      ARG  77 -10.156   3.881   3.881
  105   2HH2  ARG  77          2HH1      ARG  77 -11.757   3.241   3.241
  106    H    SER  78           H        SER  78  -4.606   3.883   3.883
  107    HA   SER  78           HA       SER  78  -2.958   2.624   2.624
  108   1HB   SER  78          1HB       SER  78  -4.094   5.068   5.068
  109   2HB   SER  78          2HB       SER  78  -2.445   5.474   5.474
  110    HG   SER  78           HG       SER  78  -2.886   5.556   5.556
  111    H    ALA  79           H        ALA  79  -2.445   3.252   3.252
  112    HA   ALA  79           HA       ALA  79  -0.638   2.893   2.893
  113   1HB   ALA  79          1HB       ALA  79  -0.024   1.152   1.152
  114   2HB   ALA  79          3HB       ALA  79   0.986   2.371   2.371
  115   3HB   ALA  79          2HB       ALA  79   1.336   1.859   1.859
  116    H    THR  80           H        THR  80  -0.947   5.233   5.233
  117    HA   THR  80           HA       THR  80   1.486   6.623   6.623
  118    HB   THR  80           HB       THR  80   1.186   6.939   6.939
  119    HG1  THR  80          1HG       THR  80   0.949   9.173   9.173
  120   1HG2  THR  80          3HG2      THR  80  -1.461   6.566   6.566
  121   2HG2  THR  80          2HG2      THR  80  -1.399   8.309   8.309
  122   3HG2  THR  80          1HG2      THR  80  -0.726   7.214   7.214
  123    H    CYS  81           H        CYS  81  -0.267   6.154   6.154
  124    HA   CYS  81           HA       CYS  81  -1.565   8.759   8.759
  125   1HB   CYS  81          2HB       CYS  81  -2.398   6.053   6.053
  126   2HB   CYS  81          1HB       CYS  81  -2.315   6.975   6.975
  127    HG   CYS  81           HG       CYS  81  -4.651   7.085   7.085
  128    H    SER  82           H        SER  82  -1.615   9.303   9.303
  129    HA   SER  82           HA       SER  82   0.529   8.439   8.439
  130   1HB   SER  82          1HB       SER  82   0.933  10.926  10.926
  131   2HB   SER  82          2HB       SER  82   1.712  10.746  10.746
  132    HG   SER  82           HG       SER  82   2.877   9.995   9.995
  133    H    PHE  83           H        PHE  83   0.531   9.413   9.413
  134    HA   PHE  83           HA       PHE  83  -1.184  11.630  11.630
  135   1HB   PHE  83          1HB       PHE  83  -2.003   8.835   8.835
  136   2HB   PHE  83          2HB       PHE  83  -2.623  10.284  10.284
  137    HD1  PHE  83           HD1      PHE  83  -3.932  11.935  11.935
  138    HD2  PHE  83           HD2      PHE  83  -2.896   8.076   8.076
  139    HE1  PHE  83           HE1      PHE  83  -5.685  12.121  12.121
  140    HE2  PHE  83           HE2      PHE  83  -4.648   8.255   8.255
  141    HZ   PHE  83           HZ       PHE  83  -6.044  10.280  10.280
  142    H    SER  84           H        SER  84  -0.596  12.590  12.590
  143    HA   SER  84           HA       SER  84   1.828  11.964  11.964
  144   1HB   SER  84          1HB       SER  84  -0.028  13.366  13.366
  145   2HB   SER  84          2HB       SER  84   1.506  13.909  13.909
  146    HG   SER  84           HG       SER  84  -1.080  14.267  14.267
  147    H    VAL  85           H        VAL  85   2.165  11.409  11.409
  148    HA   VAL  85           HA       VAL  85   0.254  10.094  10.094
  149    HB   VAL  85           HB       VAL  85   0.173   8.431   8.431
  150   1HG1  VAL  85          3HG2      VAL  85   3.142   8.240   8.240
  151   2HG1  VAL  85          2HG2      VAL  85   2.213   7.027   7.027
  152   3HG1  VAL  85          1HG2      VAL  85   2.307   8.679   8.679
  153   1HG2  VAL  85          1HG1      VAL  85  -0.120   7.690   7.690
  154   2HG2  VAL  85          3HG1      VAL  85   0.643   6.440   6.440
  155   3HG2  VAL  85          2HG1      VAL  85   1.617   7.403   7.403
  156    H    LYS  86           H        LYS  86   1.131   9.099   9.099
  157    HA   LYS  86           HA       LYS  86   3.944   9.819   9.819
  158   1HB   LYS  86          2HB       LYS  86   1.684   9.505   9.505
  159   2HB   LYS  86          1HB       LYS  86   3.340   9.939   9.939
  160   1HG   LYS  86          1HG       LYS  86   3.122  12.007  12.007
  161   2HG   LYS  86          2HG       LYS  86   1.477  11.565  11.565
  162   1HD   LYS  86          1HD       LYS  86   0.771  12.609  12.609
  163   2HD   LYS  86          2HD       LYS  86   1.537  11.330  11.330
  164   1HE   LYS  86          1HE       LYS  86   2.806  12.928  12.928
  165   2HE   LYS  86          2HE       LYS  86   3.636  12.999  12.999
  166   1HZ   LYS  86          1HZ       LYS  86   1.298  14.655  14.655
  167   2HZ   LYS  86          3HZ       LYS  86   2.903  15.185  15.185
  168   3HZ   LYS  86          2HZ       LYS  86   2.110  14.730  14.730
  169    H    TYR  87           H        TYR  87   4.054   7.609   7.609
  170    HA   TYR  87           HA       TYR  87   3.347   5.190   5.190
  171   1HB   TYR  87          1HB       TYR  87   4.469   5.409   5.409
  172   2HB   TYR  87          2HB       TYR  87   5.958   5.901   5.901
  173    HD1  TYR  87           HD2      TYR  87   3.643   3.142   3.142
  174    HD2  TYR  87           HD1      TYR  87   7.477   4.219   4.219
  175    HE1  TYR  87           HE2      TYR  87   4.348   0.790   0.790
  176    HE2  TYR  87           HE1      TYR  87   8.192   1.870   1.870
  177    HH   TYR  87           HH2      TYR  87   7.648  -0.168  -0.168
  178    H    LEU  88           H        LEU  88   3.532   4.485   4.485
  179    HA   LEU  88           HA       LEU  88   5.309   5.382   5.382
  180   1HB   LEU  88          1HB       LEU  88   3.421   3.174   3.174
  181   2HB   LEU  88          2HB       LEU  88   4.771   2.788   2.788
  182    HG   LEU  88           HG       LEU  88   4.232   4.941   4.941
  183   1HD1  LEU  88          2HD2      LEU  88   1.688   4.678   4.678
  184   2HD1  LEU  88          1HD2      LEU  88   1.928   5.752   5.752
  185   3HD1  LEU  88          3HD2      LEU  88   2.857   5.994   5.994
  186   1HD2  LEU  88          1HD1      LEU  88   2.820   2.376   2.376
  187   2HD2  LEU  88          3HD1      LEU  88   3.580   3.264   3.264
  188   3HD2  LEU  88          2HD1      LEU  88   1.951   3.688   3.688
  189    H    GLY  89           H        GLY  89   5.555   2.592   2.592
  190   1HA   GLY  89          2HA       GLY  89   7.960   2.352   2.352
  191   2HA   GLY  89          1HA       GLY  89   8.342   2.224   2.224
  192    H    CYS  90           H        CYS  90   9.270   0.152   0.152
  193    HA   CYS  90           HA       CYS  90   7.243  -1.951  -1.951
  194   1HB   CYS  90          1HB       CYS  90   9.081  -3.361  -3.361
  195   2HB   CYS  90          2HB       CYS  90   8.826  -1.910  -1.910
  196    HG   CYS  90           HG       CYS  90  10.977  -0.915  -0.915
  197    H    VAL  91           H        VAL  91   7.555  -3.940  -3.940
  198    HA   VAL  91           HA       VAL  91   9.433  -3.953  -3.953
  199    HB   VAL  91           HB       VAL  91   7.688  -4.357  -4.357
  200   1HG1  VAL  91          2HG1      VAL  91   8.687  -2.124  -2.124
  201   2HG1  VAL  91          1HG1      VAL  91   7.366  -1.708  -1.708
  202   3HG1  VAL  91          3HG1      VAL  91   7.033  -2.049  -2.049
  203   1HG2  VAL  91          1HG2      VAL  91   5.919  -5.115  -5.115
  204   2HG2  VAL  91          3HG2      VAL  91   5.366  -3.823  -3.823
  205   3HG2  VAL  91          2HG2      VAL  91   5.761  -3.469  -3.469
  206    H    GLU  92           H        GLU  92  10.027  -5.980  -5.980
  207    HA   GLU  92           HA       GLU  92   9.277  -8.150  -8.150
  208   1HB   GLU  92          1HB       GLU  92  10.570  -9.505  -9.505
  209   2HB   GLU  92          2HB       GLU  92  11.452  -8.228  -8.228
  210   1HG   GLU  92          1HG       GLU  92  11.935  -7.242  -7.242
  211   2HG   GLU  92          2HG       GLU  92  10.234  -7.198  -7.198
  212    H    VAL  93           H        VAL  93   7.918  -9.852  -9.852
  213    HA   VAL  93           HA       VAL  93   6.465 -10.063 -10.063
  214    HB   VAL  93           HB       VAL  93   4.312 -10.363 -10.363
  215   1HG1  VAL  93          2HG1      VAL  93   5.739  -7.751  -7.751
  216   2HG1  VAL  93          1HG1      VAL  93   4.115  -7.807  -7.807
  217   3HG1  VAL  93          3HG1      VAL  93   4.402  -8.403  -8.403
  218   1HG2  VAL  93          2HG2      VAL  93   5.583 -10.586 -10.586
  219   2HG2  VAL  93          1HG2      VAL  93   4.098  -9.635  -9.635
  220   3HG2  VAL  93          3HG2      VAL  93   5.665  -8.824  -8.824
  221    H    PHE  94           H        PHE  94   5.027 -12.072 -12.072
  222    HA   PHE  94           HA       PHE  94   6.649 -14.277 -14.277
  223   1HB   PHE  94          2HB       PHE  94   4.305 -14.027 -14.027
  224   2HB   PHE  94          1HB       PHE  94   4.779 -15.604 -15.604
  225    HD1  PHE  94           HD1      PHE  94   7.302 -16.209 -16.209
  226    HD2  PHE  94           HD2      PHE  94   5.274 -13.246 -13.246
  227    HE1  PHE  94           HE1      PHE  94   9.020 -16.389 -16.389
  228    HE2  PHE  94           HE2      PHE  94   6.988 -13.420 -13.420
  229    HZ   PHE  94           HZ       PHE  94   8.865 -14.994 -14.994
  230    H    GLU  95           H        GLU  95   3.729 -12.656 -12.656
  231    HA   GLU  95           HA       GLU  95   3.355 -14.589 -14.589
  232   1HB   GLU  95          1HB       GLU  95   1.332 -13.646 -13.646
  233   2HB   GLU  95          2HB       GLU  95   0.813 -13.905 -13.905
  234   1HG   GLU  95          2HG       GLU  95   1.998 -15.919 -15.919
  235   2HG   GLU  95          1HG       GLU  95   0.368 -15.889 -15.889
  236    H    SER  96           H        SER  96   3.325 -13.651 -13.651
  237    HA   SER  96           HA       SER  96   3.065 -10.740 -10.740
  238   1HB   SER  96          2HB       SER  96   4.708 -12.658 -12.658
  239   2HB   SER  96          1HB       SER  96   3.709 -11.851 -11.851
  240    HG   SER  96           HG       SER  96   4.436  -9.845  -9.845
  241    H    ARG  97           H        ARG  97   0.818 -12.778 -12.778
  242    HA   ARG  97           HA       ARG  97  -0.929 -11.506 -11.506
  243   1HB   ARG  97          2HB       ARG  97  -1.680 -13.865 -13.865
  244   2HB   ARG  97          1HB       ARG  97  -0.306 -13.072 -13.072
  245   1HG   ARG  97          2HG       ARG  97   1.237 -14.434 -14.434
  246   2HG   ARG  97          1HG       ARG  97  -0.037 -15.078 -15.078
  247   1HD   ARG  97          2HD       ARG  97  -0.675 -15.511 -15.511
  248   2HD   ARG  97          1HD       ARG  97   0.920 -16.155 -16.155
  249    HE   ARG  97           HE       ARG  97  -0.044 -17.711 -17.711
  250   1HH1  ARG  97          1HH1      ARG  97  -2.479 -15.491 -15.491
  251   2HH1  ARG  97          2HH1      ARG  97  -3.799 -16.468 -16.468
  252   1HH2  ARG  97          1HH2      ARG  97  -1.783 -18.987 -18.987
  253   2HH2  ARG  97          2HH2      ARG  97  -3.407 -18.449 -18.449
  254    H    GLY  98           H        GLY  98  -2.916 -11.348 -11.348
  255   1HA   GLY  98          1HA       GLY  98  -4.789 -12.593 -12.593
  256   2HA   GLY  98          2HA       GLY  98  -3.609 -13.200 -13.200
  257    H    MET  99           H        MET  99  -6.146 -11.439 -11.439
  258    HA   MET  99           HA       MET  99  -5.480  -8.880  -8.880
  259   1HB   MET  99          2HB       MET  99  -7.800 -10.566 -10.566
  260   2HB   MET  99          1HB       MET  99  -7.640  -9.795  -9.795
  261   1HG   MET  99          1HG       MET  99  -7.199  -7.931  -7.931
  262   2HG   MET  99          2HG       MET  99  -8.778  -8.708  -8.708
  263   1HE   MET  99          2HE       MET  99  -7.294  -5.858  -5.858
  264   2HE   MET  99          1HE       MET  99  -8.166  -5.003  -5.003
  265   3HE   MET  99          3HE       MET  99  -6.709  -5.920  -5.920
  266    H    GLN 100           H        GLN 100  -6.020  -8.278  -8.278
  267    HA   GLN 100           HA       GLN 100  -5.368  -8.334  -8.334
  268   1HB   GLN 100          1HB       GLN 100  -4.505 -11.195 -11.195
  269   2HB   GLN 100          2HB       GLN 100  -4.888 -10.409 -10.409
  270   1HG   GLN 100          1HG       GLN 100  -6.878 -10.893 -10.893
  271   2HG   GLN 100          2HG       GLN 100  -6.643 -11.954 -11.954
  272   1HE2  GLN 100          2HE2      GLN 100  -8.601 -10.078 -10.078
  273   2HE2  GLN 100          1HE2      GLN 100  -7.668 -11.502 -11.502
  274    H    VAL 101           H        VAL 101  -3.092 -10.421 -10.421
  275    HA   VAL 101           HA       VAL 101  -0.758  -9.626  -9.626
  276    HB   VAL 101           HB       VAL 101  -1.088 -10.373 -10.373
  277   1HG1  VAL 101          2HG1      VAL 101   1.251  -9.726  -9.726
  278   2HG1  VAL 101          1HG1      VAL 101   1.381 -11.237 -11.237
  279   3HG1  VAL 101          3HG1      VAL 101   1.060  -9.725  -9.725
  280   1HG2  VAL 101          2HG2      VAL 101  -1.632 -11.903 -11.903
  281   2HG2  VAL 101          1HG2      VAL 101  -1.298 -12.507 -12.507
  282   3HG2  VAL 101          3HG2      VAL 101   0.007 -12.381 -12.381
  283    H    CYS 102           H        CYS 102  -2.402  -8.205  -8.205
  284    HA   CYS 102           HA       CYS 102  -0.496  -6.190  -6.190
  285   1HB   CYS 102          1HB       CYS 102  -2.245  -5.118  -5.118
  286   2HB   CYS 102          2HB       CYS 102  -2.269  -6.854  -6.854
  287    HG   CYS 102           HG       CYS 102  -4.570  -6.953  -6.953
  288    H    GLU 103           H        GLU 103  -3.316  -6.340  -6.340
  289    HA   GLU 103           HA       GLU 103  -3.442  -3.651  -3.651
  290   1HB   GLU 103          2HB       GLU 103  -4.653  -6.102  -6.102
  291   2HB   GLU 103          1HB       GLU 103  -4.056  -5.320  -5.320
  292   1HG   GLU 103          2HG       GLU 103  -5.595  -3.696  -3.696
  293   2HG   GLU 103          1HG       GLU 103  -6.464  -4.840  -4.840
  294    H    GLU 104           H        GLU 104  -1.948  -6.359  -6.359
  295    HA   GLU 104           HA       GLU 104  -0.566  -4.709  -4.709
  296   1HB   GLU 104          1HB       GLU 104   0.608  -6.708  -6.708
  297   2HB   GLU 104          2HB       GLU 104  -1.071  -7.130  -7.130
  298   1HG   GLU 104          1HG       GLU 104  -0.370  -7.897  -7.897
  299   2HG   GLU 104          2HG       GLU 104   1.302  -7.656  -7.656
  300    H    ALA 105           H        ALA 105   0.283  -6.122  -6.122
  301    HA   ALA 105           HA       ALA 105   3.009  -5.564  -5.564
  302   1HB   ALA 105          1HB       ALA 105   0.989  -5.511  -5.511
  303   2HB   ALA 105          3HB       ALA 105   2.735  -5.443  -5.443
  304   3HB   ALA 105          2HB       ALA 105   1.997  -6.871  -6.871
  305    H    LEU 106           H        LEU 106   0.259  -3.476  -3.476
  306    HA   LEU 106           HA       LEU 106   1.682  -1.211  -1.211
  307   1HB   LEU 106          1HB       LEU 106  -0.813  -1.748  -1.748
  308   2HB   LEU 106          2HB       LEU 106  -0.984  -1.153  -1.153
  309    HG   LEU 106           HG       LEU 106   0.437   0.844   0.844
  310   1HD1  LEU 106          1HD1      LEU 106  -0.989  -0.677  -0.677
  311   2HD1  LEU 106          3HD1      LEU 106  -1.905   0.810   0.810
  312   3HD1  LEU 106          2HD1      LEU 106  -0.209   0.887   0.887
  313   1HD2  LEU 106          2HD2      LEU 106  -2.374   0.526   0.526
  314   2HD2  LEU 106          1HD2      LEU 106  -1.051   1.461   1.461
  315   3HD2  LEU 106          3HD2      LEU 106  -1.841   2.015   2.015
  316    H    LYS 107           H        LYS 107   0.425  -2.207  -2.207
  317    HA   LYS 107           HA       LYS 107   1.120   0.111   0.111
  318   1HB   LYS 107          2HB       LYS 107   0.839  -1.157  -1.157
  319   2HB   LYS 107          1HB       LYS 107  -0.275  -1.846  -1.846
  320   1HG   LYS 107          2HG       LYS 107   0.900  -3.793  -3.793
  321   2HG   LYS 107          1HG       LYS 107   2.423  -3.069  -3.069
  322   1HD   LYS 107          1HD       LYS 107   1.781  -3.029  -3.029
  323   2HD   LYS 107          2HD       LYS 107   0.081  -3.281  -3.281
  324   1HE   LYS 107          2HE       LYS 107   1.130  -5.514  -5.514
  325   2HE   LYS 107          1HE       LYS 107   2.283  -5.239  -5.239
  326   1HZ   LYS 107          2HZ       LYS 107  -0.645  -5.267  -5.267
  327   2HZ   LYS 107          1HZ       LYS 107   0.307  -6.660  -6.660
  328   3HZ   LYS 107          3HZ       LYS 107   0.581  -5.357  -5.357
  329    H    VAL 108           H        VAL 108   2.999  -2.662  -2.662
  330    HA   VAL 108           HA       VAL 108   5.267  -2.265  -2.265
  331    HB   VAL 108           HB       VAL 108   5.228  -3.365  -3.365
  332   1HG1  VAL 108          2HG1      VAL 108   7.192  -3.463  -3.463
  333   2HG1  VAL 108          1HG1      VAL 108   7.168  -4.716  -4.716
  334   3HG1  VAL 108          3HG1      VAL 108   7.466  -3.035  -3.035
  335   1HG2  VAL 108          1HG2      VAL 108   3.881  -4.326  -4.326
  336   2HG2  VAL 108          3HG2      VAL 108   4.170  -5.174  -5.174
  337   3HG2  VAL 108          2HG2      VAL 108   5.307  -5.348  -5.348
  338    H    LEU 109           H        LEU 109   4.316  -0.810  -0.810
  339    HA   LEU 109           HA       LEU 109   6.729   0.414   0.414
  340   1HB   LEU 109          1HB       LEU 109   3.851   1.105   1.105
  341   2HB   LEU 109          2HB       LEU 109   5.100   2.240   2.240
  342    HG   LEU 109           HG       LEU 109   4.367   0.856   0.856
  343   1HD1  LEU 109          1HD2      LEU 109   7.179   0.601   0.601
  344   2HD1  LEU 109          3HD2      LEU 109   6.684  -0.142  -0.142
  345   3HD1  LEU 109          2HD2      LEU 109   6.534   1.601   1.601
  346   1HD2  LEU 109          1HD1      LEU 109   5.230  -1.402  -1.402
  347   2HD2  LEU 109          3HD1      LEU 109   3.680  -1.161  -1.161
  348   3HD2  LEU 109          2HD1      LEU 109   5.114  -1.572  -1.572
  349    H    ARG 110           H        ARG 110   4.448   1.115   1.115
  350    HA   ARG 110           HA       ARG 110   5.679   3.701   3.701
  351   1HB   ARG 110          2HB       ARG 110   3.081   2.837   2.837
  352   2HB   ARG 110          1HB       ARG 110   3.637   2.681   2.681
  353   1HG   ARG 110          1HG       ARG 110   3.120   4.833   4.833
  354   2HG   ARG 110          2HG       ARG 110   4.570   5.161   5.161
  355   1HD   ARG 110          1HD       ARG 110   3.097   4.911   4.911
  356   2HD   ARG 110          2HD       ARG 110   1.724   4.973   4.973
  357    HE   ARG 110           HE       ARG 110   3.147   7.179   7.179
  358   1HH1  ARG 110          1HH1      ARG 110   1.916   5.919   5.919
  359   2HH1  ARG 110          2HH1      ARG 110   1.703   7.480   7.480
  360   1HH2  ARG 110          1HH2      ARG 110   2.873   9.242   9.242
  361   2HH2  ARG 110          2HH2      ARG 110   2.246   9.370   9.370
  362    H    GLN 111           H        GLN 111   4.958   0.626   0.626
  363    HA   GLN 111           HA       GLN 111   6.255   1.019   1.019
  364   1HB   GLN 111          1HB       GLN 111   5.804  -1.416  -1.416
  365   2HB   GLN 111          2HB       GLN 111   6.741  -1.542  -1.542
  366   1HG   GLN 111          1HG       GLN 111   4.186  -0.150  -0.150
  367   2HG   GLN 111          2HG       GLN 111   4.055  -1.839  -1.839
  368   1HE2  GLN 111          2HE2      GLN 111   4.248  -2.793  -2.793
  369   2HE2  GLN 111          1HE2      GLN 111   3.424  -2.847  -2.847
  370    H    SER 112           H        SER 112   7.591   0.541   0.541
  371    HA   SER 112           HA       SER 112  10.291   0.203   0.203
  372   1HB   SER 112          1HB       SER 112   8.942  -0.765  -0.765
  373   2HB   SER 112          2HB       SER 112  10.266   0.256   0.256
  374    HG   SER 112           HG       SER 112  10.414  -1.985  -1.985
  375    H    ARG 113           H        ARG 113  11.710   1.323   1.323
  376    HA   ARG 113           HA       ARG 113  11.229   4.176   4.176
  377   1HB   ARG 113          2HB       ARG 113  13.663   3.984   3.984
  378   2HB   ARG 113          1HB       ARG 113  13.431   4.223   4.223
  379   1HG   ARG 113          2HG       ARG 113  14.915   2.455   2.455
  380   2HG   ARG 113          1HG       ARG 113  13.362   1.656   1.656
  381   1HD   ARG 113          1HD       ARG 113  13.492   0.600   0.600
  382   2HD   ARG 113          2HD       ARG 113  13.956   2.076   2.076
  383    HE   ARG 113           HE       ARG 113  15.681  -0.020  -0.020
  384   1HH1  ARG 113          1HH1      ARG 113  15.519   3.447   3.447
  385   2HH1  ARG 113          2HH1      ARG 113  17.228   3.637   3.637
  386   1HH2  ARG 113          1HH2      ARG 113  17.931   0.220   0.220
  387   2HH2  ARG 113          2HH2      ARG 113  18.598   1.802   1.802
  388    H    ARG 114           H        ARG 114   9.771   2.476   2.476
  389    HA   ARG 114           HA       ARG 114  10.651   3.258   3.258
  390   1HB   ARG 114          2HB       ARG 114   8.327   1.754   1.754
  391   2HB   ARG 114          1HB       ARG 114   8.192   2.406   2.406
  392   1HG   ARG 114          1HG       ARG 114   8.974   0.011   0.011
  393   2HG   ARG 114          2HG       ARG 114   9.966   1.079   1.079
  394   1HD   ARG 114          2HD       ARG 114  10.670   0.871   0.871
  395   2HD   ARG 114          1HD       ARG 114  10.980  -0.546  -0.546
  396    HE   ARG 114           HE       ARG 114  12.388   1.958   1.958
  397   1HH1  ARG 114          1HH1      ARG 114  11.527  -0.878  -0.878
  398   2HH1  ARG 114          2HH1      ARG 114  12.877  -0.754  -0.754
  399   1HH2  ARG 114          1HH2      ARG 114  14.172   2.131   2.131
  400   2HH2  ARG 114          2HH2      ARG 114  14.382   0.956   0.956
  401    H    ARG 115           H        ARG 115  10.756   5.553   5.553
  402    HA   ARG 115           HA       ARG 115   8.439   7.083   7.083
  403   1HB   ARG 115          2HB       ARG 115  10.846   7.796   7.796
  404   2HB   ARG 115          1HB       ARG 115  10.918   8.035   8.035
  405   1HG   ARG 115          1HG       ARG 115  10.123  10.077  10.077
  406   2HG   ARG 115          2HG       ARG 115   8.639   9.409   9.409
  407   1HD   ARG 115          2HD       ARG 115   9.854   9.291   9.291
  408   2HD   ARG 115          1HD       ARG 115  11.127  10.255  10.255
  409    HE   ARG 115           HE       ARG 115   9.779  12.101  12.101
  410   1HH1  ARG 115          2HH2      ARG 115   7.868   9.236   9.236
  411   2HH1  ARG 115          1HH2      ARG 115   6.455  10.109  10.109
  412   1HH2  ARG 115          2HH1      ARG 115   7.924  13.261  13.261
  413   2HH2  ARG 115          1HH1      ARG 115   6.486  12.398  12.398
  414    HA   PRO 116           HA       PRO 116   6.293   6.913   6.913
  415   1HB   PRO 116          2HB       PRO 116   5.484   9.662   9.662
  416   2HB   PRO 116          1HB       PRO 116   4.485   8.320   8.320
  417   1HG   PRO 116          1HG       PRO 116   4.549   8.946   8.946
  418   2HG   PRO 116          2HG       PRO 116   4.520   7.249   7.249
  419   1HD   PRO 116          1HD       PRO 116   6.793   8.879   8.879
  420   2HD   PRO 116          2HD       PRO 116   6.427   7.161   7.161
  421    H    VAL 117           H        VAL 117   6.103   8.296   8.296
  422    HA   VAL 117           HA       VAL 117   8.388  10.120  10.120
  423    HB   VAL 117           HB       VAL 117   8.900   7.818   7.818
  424   1HG1  VAL 117          1HG2      VAL 117   6.435   7.822   7.822
  425   2HG1  VAL 117          3HG2      VAL 117   7.353   8.388   8.388
  426   3HG1  VAL 117          2HG2      VAL 117   7.759   6.847   6.847
  427   1HG2  VAL 117          2HG1      VAL 117   9.774  10.182  10.182
  428   2HG2  VAL 117          1HG1      VAL 117  10.267   8.691   8.691
  429   3HG2  VAL 117          3HG1      VAL 117   8.995   9.690   9.690
  430    H    ARG 118           H        ARG 118   7.645  12.045  12.045
  431    HA   ARG 118           HA       ARG 118   5.083  12.410  12.410
  432   1HB   ARG 118          2HB       ARG 118   6.453  13.982  13.982
  433   2HB   ARG 118          1HB       ARG 118   7.129  14.589  14.589
  434   1HG   ARG 118          2HG       ARG 118   4.500  14.654  14.654
  435   2HG   ARG 118          1HG       ARG 118   4.446  14.938  14.938
  436   1HD   ARG 118          1HD       ARG 118   6.194  16.720  16.720
  437   2HD   ARG 118          2HD       ARG 118   5.917  16.531  16.531
  438    HE   ARG 118           HE       ARG 118   3.433  16.962  16.962
  439   1HH1  ARG 118          1HH1      ARG 118   6.469  18.659  18.659
  440   2HH1  ARG 118          2HH1      ARG 118   5.736  20.221  20.221
  441   1HH2  ARG 118          1HH2      ARG 118   2.456  19.016  19.016
  442   2HH2  ARG 118          2HH2      ARG 118   3.455  20.424  20.424
  443    H    GLY 119           H        GLY 119   5.487  11.094  11.094
  444   1HA   GLY 119          2HA       GLY 119   6.937  12.624  12.624
  445   2HA   GLY 119          1HA       GLY 119   7.142  10.889  10.889
  446    H    LEU 120           H        LEU 120   6.487  10.768  10.768
  447    HA   LEU 120           HA       LEU 120   3.580  11.055  11.055
  448   1HB   LEU 120          2HB       LEU 120   5.804  11.964  11.964
  449   2HB   LEU 120          1HB       LEU 120   4.883  10.805  10.805
  450    HG   LEU 120           HG       LEU 120   3.943  13.422  13.422
  451   1HD1  LEU 120          1HD1      LEU 120   5.077  12.894  12.894
  452   2HD1  LEU 120          3HD1      LEU 120   3.378  12.617  12.617
  453   3HD1  LEU 120          2HD1      LEU 120   3.891  14.173  14.173
  454   1HD2  LEU 120          3HD2      LEU 120   2.410  10.991  10.991
  455   2HD2  LEU 120          2HD2      LEU 120   1.982  12.422  12.422
  456   3HD2  LEU 120          1HD2      LEU 120   1.796  12.430  12.430
  457    H    LEU 121           H        LEU 121   2.434   9.295   9.295
  458    HA   LEU 121           HA       LEU 121   3.852   6.757   6.757
  459   1HB   LEU 121          1HB       LEU 121   2.055   6.766   6.766
  460   2HB   LEU 121          2HB       LEU 121   0.946   7.453   7.453
  461    HG   LEU 121           HG       LEU 121   1.053   5.364   5.364
  462   1HD1  LEU 121          2HD1      LEU 121   2.903   4.533   4.533
  463   2HD1  LEU 121          1HD1      LEU 121   2.045   3.366   3.366
  464   3HD1  LEU 121          3HD1      LEU 121   3.185   4.495   4.495
  465   1HD2  LEU 121          1HD2      LEU 121   0.255   5.194   5.194
  466   2HD2  LEU 121          3HD2      LEU 121  -0.768   5.509   5.509
  467   3HD2  LEU 121          2HD2      LEU 121  -0.074   3.906   3.906
  468    H    HIS 122           H        HIS 122   4.559   6.457   6.457
  469    HA   HIS 122           HA       HIS 122   3.134   7.373   7.373
  470   1HB   HIS 122          2HB       HIS 122   5.740   6.651   6.651
  471   2HB   HIS 122          1HB       HIS 122   5.161   5.308   5.308
  472    HD1  HIS 122           HD1      HIS 122   3.797   6.286   6.286
  473    HD2  HIS 122           HD2      HIS 122   6.729   8.627   8.627
  474    HE1  HIS 122           HE1      HIS 122   4.532   7.958   7.958
  475    H    VAL 123           H        VAL 123   1.087   6.358   6.358
  476    HA   VAL 123           HA       VAL 123   0.958   3.462   3.462
  477    HB   VAL 123           HB       VAL 123  -1.263   5.503   5.503
  478   1HG1  VAL 123          1HG1      VAL 123  -1.381   2.900   2.900
  479   2HG1  VAL 123          3HG1      VAL 123  -1.996   2.790   2.790
  480   3HG1  VAL 123          2HG1      VAL 123  -2.736   3.909   3.909
  481   1HG2  VAL 123          3HG2      VAL 123   0.344   4.103   4.103
  482   2HG2  VAL 123          2HG2      VAL 123  -0.702   5.512   5.512
  483   3HG2  VAL 123          1HG2      VAL 123  -1.391   3.890   3.890
  484    H    SER 124           H        SER 124   1.135   2.599   2.599
  485    HA   SER 124           HA       SER 124  -0.217   3.919   3.919
  486   1HB   SER 124          1HB       SER 124   2.033   2.734   2.734
  487   2HB   SER 124          2HB       SER 124   1.770   4.460   4.460
  488    HG   SER 124           HG       SER 124   3.543   4.222   4.222
  489    H    GLY 125           H        GLY 125  -1.014   1.669   1.669
  490   1HA   GLY 125          2HA       GLY 125  -1.706  -0.527  -0.527
  491   2HA   GLY 125          1HA       GLY 125  -2.065  -0.059  -0.059
  492    H    ASP 126           H        ASP 126   1.042  -0.455  -0.455
  493    HA   ASP 126           HA       ASP 126   1.681  -2.921  -2.921
  494   1HB   ASP 126          1HB       ASP 126   1.941  -0.781  -0.781
  495   2HB   ASP 126          2HB       ASP 126   3.568  -0.926  -0.926
  496    H    GLY 127           H        GLY 127   2.870   0.042   0.042
  497   1HA   GLY 127          2HA       GLY 127   4.404  -1.549  -1.549
  498   2HA   GLY 127          1HA       GLY 127   5.373  -0.544  -0.544
  499    H    LEU 128           H        LEU 128   3.887  -0.684  -0.684
  500    HA   LEU 128           HA       LEU 128   3.149   2.095   2.095
  501   1HB   LEU 128          1HB       LEU 128   3.550   0.163   0.163
  502   2HB   LEU 128          2HB       LEU 128   2.543   1.597   1.597
  503    HG   LEU 128           HG       LEU 128   1.922  -0.658  -0.658
  504   1HD1  LEU 128          3HD1      LEU 128   1.876  -0.795  -0.795
  505   2HD1  LEU 128          2HD1      LEU 128   0.297  -1.092  -1.092
  506   3HD1  LEU 128          1HD1      LEU 128   1.684  -2.074  -2.074
  507   1HD2  LEU 128          3HD2      LEU 128   0.583   1.721   1.721
  508   2HD2  LEU 128          2HD2      LEU 128   0.436   0.976   0.976
  509   3HD2  LEU 128          1HD2      LEU 128  -0.417   0.284   0.284
  510    H    ARG 129           H        ARG 129   5.219   2.960   2.960
  511    HA   ARG 129           HA       ARG 129   7.492   2.617   2.617
  512   1HB   ARG 129          1HB       ARG 129   7.104   4.466   4.466
  513   2HB   ARG 129          2HB       ARG 129   8.629   4.151   4.151
  514   1HG   ARG 129          2HG       ARG 129   8.284   1.711   1.711
  515   2HG   ARG 129          1HG       ARG 129   7.009   2.288   2.288
  516   1HD   ARG 129          1HD       ARG 129   9.948   2.910   2.910
  517   2HD   ARG 129          2HD       ARG 129   8.957   2.128   2.128
  518    HE   ARG 129           HE       ARG 129   9.303   4.936   4.936
  519   1HH1  ARG 129          2HH2      ARG 129   7.073   2.503   2.503
  520   2HH1  ARG 129          1HH2      ARG 129   6.221   3.581   3.581
  521   1HH2  ARG 129          2HH1      ARG 129   8.187   6.365   6.365
  522   2HH2  ARG 129          1HH1      ARG 129   6.854   5.777   5.777
  523    H    VAL 130           H        VAL 130   7.398   3.618   3.618
  524    HA   VAL 130           HA       VAL 130   6.102   6.221   6.221
  525    HB   VAL 130           HB       VAL 130   5.466   4.705   4.705
  526   1HG1  VAL 130          1HG2      VAL 130   8.409   4.282   4.282
  527   2HG1  VAL 130          3HG2      VAL 130   7.149   3.737   3.737
  528   3HG1  VAL 130          2HG2      VAL 130   7.219   3.098   3.098
  529   1HG2  VAL 130          3HG1      VAL 130   6.133   7.150   7.150
  530   2HG2  VAL 130          2HG1      VAL 130   5.777   6.012   6.012
  531   3HG2  VAL 130          1HG1      VAL 130   7.451   6.388   6.388
  532    H    VAL 131           H        VAL 131   7.326   7.902   7.902
  533    HA   VAL 131           HA       VAL 131  10.196   7.886   7.886
  534    HB   VAL 131           HB       VAL 131   8.616  10.007  10.007
  535   1HG1  VAL 131          2HG1      VAL 131  11.561   9.377   9.377
  536   2HG1  VAL 131          1HG1      VAL 131  10.815  10.599  10.599
  537   3HG1  VAL 131          3HG1      VAL 131  10.758  10.771  10.771
  538   1HG2  VAL 131          2HG2      VAL 131   9.355   7.360   7.360
  539   2HG2  VAL 131          1HG2      VAL 131   8.352   8.572   8.572
  540   3HG2  VAL 131          3HG2      VAL 131  10.105   8.603   8.603
  541    H    ASP 132           H        ASP 132  11.128   9.125   9.125
  542    HA   ASP 132           HA       ASP 132   9.417  10.495  10.495
  543   1HB   ASP 132          1HB       ASP 132  12.352  10.798  10.798
  544   2HB   ASP 132          2HB       ASP 132  11.146  10.376  10.376
  545    H    ASP 133           H        ASP 133   9.053  12.634  12.634
  546    HA   ASP 133           HA       ASP 133  10.018  14.334  14.334
  547   1HB   ASP 133          2HB       ASP 133   7.678  14.372  14.372
  548   2HB   ASP 133          1HB       ASP 133   8.405  15.213  15.213
  549    H    GLU 134           H        GLU 134  11.550  13.376  13.376
  550    HA   GLU 134           HA       GLU 134  12.639  16.016  16.016
  551   1HB   GLU 134          1HB       GLU 134  11.851  14.400  14.400
  552   2HB   GLU 134          2HB       GLU 134  13.275  13.441  13.441
  553   1HG   GLU 134          2HG       GLU 134  14.390  14.674  14.674
  554   2HG   GLU 134          1HG       GLU 134  14.240  16.024  16.024
  555    H    THR 135           H        THR 135  13.410  13.026  13.026
  556    HA   THR 135           HA       THR 135  15.918  14.154  14.154
  557    HB   THR 135           HB       THR 135  17.184  12.078  12.078
  558    HG1  THR 135          1HG       THR 135  15.116  10.890  10.890
  559   1HG2  THR 135          3HG2      THR 135  17.248  14.132  14.132
  560   2HG2  THR 135          2HG2      THR 135  16.073  13.329  13.329
  561   3HG2  THR 135          1HG2      THR 135  17.666  12.612  12.612
  562    H    LYS 136           H        LYS 136  13.199  13.135  13.135
  563    HA   LYS 136           HA       LYS 136  12.327  11.870  11.870
  564   1HB   LYS 136          2HB       LYS 136  14.884  13.034  13.034
  565   2HB   LYS 136          1HB       LYS 136  14.004  11.913  11.913
  566   1HG   LYS 136          1HG       LYS 136  13.466  14.287  14.287
  567   2HG   LYS 136          2HG       LYS 136  12.063  13.318  13.318
  568   1HD   LYS 136          2HD       LYS 136  11.989  14.239  14.239
  569   2HD   LYS 136          1HD       LYS 136  13.616  14.908  14.908
  570   1HE   LYS 136          2HE       LYS 136  12.586  16.827  16.827
  571   2HE   LYS 136          1HE       LYS 136  12.321  16.097  16.097
  572   1HZ   LYS 136          2HZ       LYS 136  10.416  15.913  15.913
  573   2HZ   LYS 136          1HZ       LYS 136  10.290  17.026  17.026
  574   3HZ   LYS 136          3HZ       LYS 136  10.161  15.368  15.368
  575    H    GLY 137           H        GLY 137  13.878  10.374  10.374
  576   1HA   GLY 137          1HA       GLY 137  15.249   8.300   8.300
  577   2HA   GLY 137          2HA       GLY 137  15.025   8.361   8.361
  578    H    LEU 138           H        LEU 138  14.520   6.304   6.304
  579    HA   LEU 138           HA       LEU 138  11.667   5.853   5.853
  580   1HB   LEU 138          1HB       LEU 138  12.940   5.440   5.440
  581   2HB   LEU 138          2HB       LEU 138  13.758   4.117   4.117
  582    HG   LEU 138           HG       LEU 138  11.854   2.778   2.778
  583   1HD1  LEU 138          2HD1      LEU 138  10.283   5.311   5.311
  584   2HD1  LEU 138          1HD1      LEU 138   9.583   3.711   3.711
  585   3HD1  LEU 138          3HD1      LEU 138  10.215   4.158   4.158
  586   1HD2  LEU 138          1HD2      LEU 138  12.759   3.123   3.123
  587   2HD2  LEU 138          3HD2      LEU 138  11.037   2.745   2.745
  588   3HD2  LEU 138          2HD2      LEU 138  11.576   4.406   4.406
  589    H    ILE 139           H        ILE 139  10.758   4.676   4.676
  590    HA   ILE 139           HA       ILE 139  12.469   3.139   3.139
  591    HB   ILE 139           HB       ILE 139   9.532   3.619   3.619
  592   1HG1  ILE 139          2HG1      ILE 139  11.779   5.466   5.466
  593   2HG1  ILE 139          1HG1      ILE 139  10.687   5.776   5.776
  594   1HG2  ILE 139          2HG2      ILE 139  11.862   3.072   3.072
  595   2HG2  ILE 139          1HG2      ILE 139  10.270   3.564   3.564
  596   3HG2  ILE 139          3HG2      ILE 139  10.460   2.048   2.048
  597   1HD1  ILE 139          3HD1      ILE 139   9.818   5.450   5.450
  598   2HD1  ILE 139          2HD1      ILE 139  10.093   6.997   6.997
  599   3HD1  ILE 139          1HD1      ILE 139   8.813   5.923   5.923
  600    H    VAL 140           H        VAL 140   9.342   2.678   2.678
  601    HA   VAL 140           HA       VAL 140   9.818  -0.219  -0.219
  602    HB   VAL 140           HB       VAL 140   7.185   1.172   1.172
  603   1HG1  VAL 140          1HG1      VAL 140   7.509  -1.164  -1.164
  604   2HG1  VAL 140          3HG1      VAL 140   7.686  -1.693  -1.693
  605   3HG1  VAL 140          2HG1      VAL 140   6.175  -0.959  -0.959
  606   1HG2  VAL 140          2HG2      VAL 140   8.422   0.088   0.088
  607   2HG2  VAL 140          1HG2      VAL 140   7.797   1.709   1.709
  608   3HG2  VAL 140          3HG2      VAL 140   6.685   0.345   0.345
  609    H    ASP 141           H        ASP 141  11.183  -0.207  -0.207
  610    HA   ASP 141           HA       ASP 141   9.930   0.467   0.467
  611   1HB   ASP 141          2HB       ASP 141  12.169   1.258   1.258
  612   2HB   ASP 141          1HB       ASP 141  12.746  -0.270  -0.270
  613    H    GLN 142           H        GLN 142   8.356  -1.304  -1.304
  614    HA   GLN 142           HA       GLN 142   9.393  -3.787  -3.787
  615   1HB   GLN 142          2HB       GLN 142   7.890  -3.534  -3.534
  616   2HB   GLN 142          1HB       GLN 142   7.803  -5.010  -5.010
  617   1HG   GLN 142          2HG       GLN 142  10.128  -5.401  -5.401
  618   2HG   GLN 142          1HG       GLN 142  10.398  -3.792  -3.792
  619   1HE2  GLN 142          1HE2      GLN 142  10.123  -6.631  -6.631
  620   2HE2  GLN 142          2HE2      GLN 142  10.820  -6.631  -6.631
  621    H    THR 143           H        THR 143   8.061  -4.739  -4.739
  622    HA   THR 143           HA       THR 143   5.922  -3.309  -3.309
  623    HB   THR 143           HB       THR 143   6.447  -6.272  -6.272
  624    HG1  THR 143          1HG       THR 143   7.474  -4.217  -4.217
  625   1HG2  THR 143          3HG2      THR 143   4.337  -5.049  -5.049
  626   2HG2  THR 143          2HG2      THR 143   5.508  -4.594  -4.594
  627   3HG2  THR 143          1HG2      THR 143   5.213  -6.297  -6.297
  628    H    ILE 144           H        ILE 144   3.773  -3.336  -3.336
  629    HA   ILE 144           HA       ILE 144   2.706  -4.172  -4.172
  630    HB   ILE 144           HB       ILE 144   1.767  -2.385  -2.385
  631   1HG1  ILE 144          1HG1      ILE 144  -0.249  -4.516  -4.516
  632   2HG1  ILE 144          2HG1      ILE 144   0.508  -3.427  -3.427
  633   1HG2  ILE 144          3HG2      ILE 144   1.852  -4.122  -4.122
  634   2HG2  ILE 144          2HG2      ILE 144   0.176  -4.364  -4.364
  635   3HG2  ILE 144          1HG2      ILE 144   0.736  -2.757  -2.757
  636   1HD1  ILE 144          3HD1      ILE 144  -0.527  -1.777  -1.777
  637   2HD1  ILE 144          2HD1      ILE 144  -1.766  -2.996  -2.996
  638   3HD1  ILE 144          1HD1      ILE 144  -1.152  -2.016  -2.016
  639    H    GLU 145           H        GLU 145   2.801  -5.790  -5.790
  640    HA   GLU 145           HA       GLU 145   0.954  -7.846  -7.846
  641   1HB   GLU 145          1HB       GLU 145   1.520  -8.858  -8.858
  642   2HB   GLU 145          2HB       GLU 145   1.511  -7.120  -7.120
  643   1HG   GLU 145          1HG       GLU 145   3.522  -7.330  -7.330
  644   2HG   GLU 145          2HG       GLU 145   4.131  -7.714  -7.714
  645    H    LYS 146           H        LYS 146   4.323  -7.339  -7.339
  646    HA   LYS 146           HA       LYS 146   4.756 -10.157 -10.157
  647   1HB   LYS 146          1HB       LYS 146   6.430  -7.989  -7.989
  648   2HB   LYS 146          2HB       LYS 146   7.090  -8.696  -8.696
  649   1HG   LYS 146          1HG       LYS 146   6.224 -10.481 -10.481
  650   2HG   LYS 146          2HG       LYS 146   7.767  -9.631  -9.631
  651   1HD   LYS 146          2HD       LYS 146   6.946 -11.368 -11.368
  652   2HD   LYS 146          1HD       LYS 146   7.929 -11.924 -11.924
  653   1HE   LYS 146          2HE       LYS 146   9.251  -9.664  -9.664
  654   2HE   LYS 146          1HE       LYS 146   8.652 -10.252 -10.252
  655   1HZ   LYS 146          3HZ       LYS 146   9.669 -12.406 -12.406
  656   2HZ   LYS 146          2HZ       LYS 146  10.288 -11.793 -11.793
  657   3HZ   LYS 146          1HZ       LYS 146  10.819 -11.165 -11.165
  658    H    VAL 147           H        VAL 147   3.068  -8.333  -8.333
  659    HA   VAL 147           HA       VAL 147   4.549  -8.580  -8.580
  660    HB   VAL 147           HB       VAL 147   2.302  -6.662  -6.662
  661   1HG1  VAL 147          3HG1      VAL 147   4.400  -7.316  -7.316
  662   2HG1  VAL 147          2HG1      VAL 147   4.858  -5.752  -5.752
  663   3HG1  VAL 147          1HG1      VAL 147   3.314  -5.935  -5.935
  664   1HG2  VAL 147          2HG2      VAL 147   3.423  -6.195  -6.195
  665   2HG2  VAL 147          1HG2      VAL 147   3.507  -4.859  -4.859
  666   3HG2  VAL 147          3HG2      VAL 147   4.916  -5.888  -5.888
  667    H    SER 148           H        SER 148   2.834  -8.489  -8.489
  668    HA   SER 148           HA       SER 148   1.037 -10.722 -10.722
  669   1HB   SER 148          1HB       SER 148   2.658 -10.439 -10.439
  670   2HB   SER 148          2HB       SER 148   1.381  -9.412  -9.412
  671    HG   SER 148           HG       SER 148   0.026 -11.119 -11.119
  672    H    PHE 149           H        PHE 149   0.563  -7.767  -7.767
  673    HA   PHE 149           HA       PHE 149  -1.307  -6.527  -6.527
  674   1HB   PHE 149          1HB       PHE 149  -2.854  -8.486  -8.486
  675   2HB   PHE 149          2HB       PHE 149  -3.486  -7.385  -7.385
  676    HD1  PHE 149           HD2      PHE 149  -2.104  -7.750  -7.750
  677    HD2  PHE 149           HD1      PHE 149  -2.954 -10.683 -10.683
  678    HE1  PHE 149           HE2      PHE 149  -1.925  -9.517  -9.517
  679    HE2  PHE 149           HE1      PHE 149  -2.776 -12.455 -12.455
  680    HZ   PHE 149           HZ       PHE 149  -2.260 -11.873 -11.873
  681    H    CYS 150           H        CYS 150  -3.386  -5.784  -5.784
  682    HA   CYS 150           HA       CYS 150  -2.007  -4.771  -4.771
  683   1HB   CYS 150          1HB       CYS 150  -3.312  -2.676  -2.676
  684   2HB   CYS 150          2HB       CYS 150  -2.209  -2.974  -2.974
  685    HG   CYS 150           HG       CYS 150  -4.368  -2.308  -2.308
  686    H    ALA 151           H        ALA 151  -3.738  -3.728  -3.728
  687    HA   ALA 151           HA       ALA 151  -6.336  -4.845  -4.845
  688   1HB   ALA 151          2HB       ALA 151  -4.226  -6.483  -6.483
  689   2HB   ALA 151          1HB       ALA 151  -5.375  -6.039  -6.039
  690   3HB   ALA 151          3HB       ALA 151  -5.940  -6.848  -6.848
  691    HA   PRO 152           HA       PRO 152  -5.987  -1.050  -1.050
  692   1HB   PRO 152          1HB       PRO 152  -8.699  -0.638  -0.638
  693   2HB   PRO 152          2HB       PRO 152  -7.667  -0.092  -0.092
  694   1HG   PRO 152          2HG       PRO 152  -9.403  -2.521  -2.521
  695   2HG   PRO 152          1HG       PRO 152  -9.162  -1.414  -1.414
  696   1HD   PRO 152          2HD       PRO 152  -7.952  -3.809  -3.809
  697   2HD   PRO 152          1HD       PRO 152  -7.152  -2.392  -2.392
  698    H    ASP 153           H        ASP 153  -5.670  -1.154  -1.154
  699    HA   ASP 153           HA       ASP 153  -6.552  -3.219  -3.219
  700   1HB   ASP 153          2HB       ASP 153  -5.836  -0.465  -0.465
  701   2HB   ASP 153          1HB       ASP 153  -5.561  -2.018  -2.018
  702    H    ARG 154           H        ARG 154  -7.477  -1.682  -1.682
  703    HA   ARG 154           HA       ARG 154 -10.264  -1.368  -1.368
  704   1HB   ARG 154          2HB       ARG 154  -9.003  -1.878  -1.878
  705   2HB   ARG 154          1HB       ARG 154 -10.694  -1.430  -1.430
  706   1HG   ARG 154          1HG       ARG 154 -11.268  -3.506  -3.506
  707   2HG   ARG 154          2HG       ARG 154 -10.012  -3.611  -3.611
  708   1HD   ARG 154          1HD       ARG 154  -9.502  -5.303  -5.303
  709   2HD   ARG 154          2HD       ARG 154  -8.377  -3.994  -3.994
  710    HE   ARG 154           HE       ARG 154 -10.674  -3.723  -3.723
  711   1HH1  ARG 154          1HH1      ARG 154  -7.857  -5.735  -5.735
  712   2HH1  ARG 154          2HH1      ARG 154  -7.789  -6.173  -6.173
  713   1HH2  ARG 154          1HH2      ARG 154 -10.596  -4.291  -4.291
  714   2HH2  ARG 154          2HH2      ARG 154  -9.347  -5.351  -5.351
  715    H    ASN 155           H        ASN 155  -8.044   0.656   0.656
  716    HA   ASN 155           HA       ASN 155  -8.390   2.737   2.737
  717   1HB   ASN 155          1HB       ASN 155  -7.294   2.462   2.462
  718   2HB   ASN 155          2HB       ASN 155  -7.870   4.077   4.077
  719   1HD2  ASN 155          2HD2      ASN 155  -5.267   4.830   4.830
  720   2HD2  ASN 155          1HD2      ASN 155  -6.785   5.293   5.293
  721    H    HIS 156           H        HIS 156 -10.464   1.511   1.511
  722    HA   HIS 156           HA       HIS 156 -12.710   1.886   1.886
  723   1HB   HIS 156          1HB       HIS 156 -12.628   3.190   3.190
  724   2HB   HIS 156          2HB       HIS 156 -12.375   4.636   4.636
  725    HD1  HIS 156           HD1      HIS 156 -14.574   5.843   5.843
  726    HD2  HIS 156           HD2      HIS 156 -15.036   1.807   1.807
  727    HE1  HIS 156           HE1      HIS 156 -17.042   5.484   5.484
  728    H    GLU 157           H        GLU 157 -10.368   4.370   4.370
  729    HA   GLU 157           HA       GLU 157 -10.974   4.298   4.298
  730   1HB   GLU 157          2HB       GLU 157 -12.980   5.651   5.651
  731   2HB   GLU 157          1HB       GLU 157 -12.018   6.921   6.921
  732   1HG   GLU 157          2HG       GLU 157 -13.052   6.568   6.568
  733   2HG   GLU 157          1HG       GLU 157 -12.399   4.930   4.930
  734    H    ARG 158           H        ARG 158  -8.604   4.297   4.297
  735    HA   ARG 158           HA       ARG 158  -7.281   6.405   6.405
  736   1HB   ARG 158          1HB       ARG 158  -6.264   7.498   7.498
  737   2HB   ARG 158          2HB       ARG 158  -7.893   7.972   7.972
  738   1HG   ARG 158          1HG       ARG 158  -8.496   5.986   5.986
  739   2HG   ARG 158          2HG       ARG 158  -6.938   6.459   6.459
  740   1HD   ARG 158          2HD       ARG 158  -8.420   7.802   7.802
  741   2HD   ARG 158          1HD       ARG 158  -7.881   8.863   8.863
  742    HE   ARG 158           HE       ARG 158 -10.199   7.479   7.479
  743   1HH1  ARG 158          1HH1      ARG 158  -9.167  10.015  10.015
  744   2HH1  ARG 158          2HH1      ARG 158 -10.688  10.843  10.843
  745   1HH2  ARG 158          2HH2      ARG 158 -12.204   8.558   8.558
  746   2HH2  ARG 158          1HH2      ARG 158 -12.416  10.015  10.015
  747    H    GLY 159           H        GLY 159  -7.214   4.000   4.000
  748   1HA   GLY 159          1HA       GLY 159  -4.346   3.719   3.719
  749   2HA   GLY 159          2HA       GLY 159  -5.471   2.717   2.717
  750    H    PHE 160           H        PHE 160  -3.314   2.764   2.764
  751    HA   PHE 160           HA       PHE 160  -4.505   0.347   0.347
  752   1HB   PHE 160          1HB       PHE 160  -2.547   2.124   2.124
  753   2HB   PHE 160          2HB       PHE 160  -3.619   0.902   0.902
  754    HD1  PHE 160           HD1      PHE 160  -6.221   1.475   1.475
  755    HD2  PHE 160           HD2      PHE 160  -3.092   4.227   4.227
  756    HE1  PHE 160           HE1      PHE 160  -7.892   3.213   3.213
  757    HE2  PHE 160           HE2      PHE 160  -4.757   5.968   5.968
  758    HZ   PHE 160           HZ       PHE 160  -7.159   5.463   5.463
  759    H    SER 161           H        SER 161  -2.798  -1.138  -1.138
  760    HA   SER 161           HA       SER 161  -0.126  -0.957  -0.957
  761   1HB   SER 161          2HB       SER 161  -0.925  -3.296  -3.296
  762   2HB   SER 161          1HB       SER 161  -0.293  -1.800  -1.800
  763    HG   SER 161           HG       SER 161  -2.905  -2.720  -2.720
  764    H    TYR 162           H        TYR 162   0.863  -1.836  -1.836
  765    HA   TYR 162           HA       TYR 162  -0.359  -4.046  -4.046
  766   1HB   TYR 162          1HB       TYR 162   2.295  -2.746  -2.746
  767   2HB   TYR 162          2HB       TYR 162   1.256  -3.655  -3.655
  768    HD1  TYR 162           HD2      TYR 162  -1.266  -2.078  -2.078
  769    HD2  TYR 162           HD1      TYR 162   2.370  -0.968  -0.968
  770    HE1  TYR 162           HE2      TYR 162  -2.309   0.017   0.017
  771    HE2  TYR 162           HE1      TYR 162   1.337   1.131   1.131
  772    HH   TYR 162           HH2      TYR 162  -0.502   2.595   2.595
  773    H    ILE 163           H        ILE 163   1.527  -5.643  -5.643
  774    HA   ILE 163           HA       ILE 163   3.406  -6.381  -6.381
  775    HB   ILE 163           HB       ILE 163   2.230  -8.832  -8.832
  776   1HG1  ILE 163          1HG1      ILE 163  -0.032  -6.862  -6.862
  777   2HG1  ILE 163          2HG1      ILE 163   0.223  -7.797  -7.797
  778   1HG2  ILE 163          1HG2      ILE 163   2.443  -6.734  -6.734
  779   2HG2  ILE 163          3HG2      ILE 163   1.178  -7.926  -7.926
  780   3HG2  ILE 163          2HG2      ILE 163   2.848  -8.450  -8.450
  781   1HD1  ILE 163          2HD1      ILE 163   0.138  -9.411  -9.411
  782   2HD1  ILE 163          1HD1      ILE 163  -1.356  -8.542  -8.542
  783   3HD1  ILE 163          3HD1      ILE 163  -0.671  -9.639  -9.639
  784    H    CYS 164           H        CYS 164   4.977  -7.802  -7.802
  785    HA   CYS 164           HA       CYS 164   4.718  -8.858  -8.858
  786   1HB   CYS 164          1HB       CYS 164   6.868  -8.059  -8.059
  787   2HB   CYS 164          2HB       CYS 164   5.994  -6.681  -6.681
  788    HG   CYS 164           HG       CYS 164   8.244  -6.474  -6.474
  789    H    ARG 165           H        ARG 165   5.933 -10.726 -10.726
  790    HA   ARG 165           HA       ARG 165   6.836 -12.104 -12.104
  791   1HB   ARG 165          1HB       ARG 165   6.578 -14.146 -14.146
  792   2HB   ARG 165          2HB       ARG 165   5.175 -13.454 -13.454
  793   1HG   ARG 165          1HG       ARG 165   4.399 -12.450 -12.450
  794   2HG   ARG 165          2HG       ARG 165   5.986 -12.483 -12.483
  795   1HD   ARG 165          2HD       ARG 165   5.658 -15.092 -15.092
  796   2HD   ARG 165          1HD       ARG 165   3.955 -14.640 -14.640
  797    HE   ARG 165           HE       ARG 165   4.082 -14.085 -14.085
  798   1HH1  ARG 165          1HH1      ARG 165   7.288 -14.566 -14.566
  799   2HH1  ARG 165          2HH1      ARG 165   8.050 -14.533 -14.533
  800   1HH2  ARG 165          1HH2      ARG 165   5.072 -14.038 -14.038
  801   2HH2  ARG 165          2HH2      ARG 165   6.789 -14.233 -14.233
  802    H    ASP 166           H        ASP 166   8.948 -11.149 -11.149
  803    HA   ASP 166           HA       ASP 166  11.130 -10.959 -10.959
  804   1HB   ASP 166          1HB       ASP 166  12.074 -13.311 -13.311
  805   2HB   ASP 166          2HB       ASP 166  11.501 -13.037 -13.037
  806    H    GLY 167           H        GLY 167  12.753 -11.973 -11.973
  807   1HA   GLY 167          1HA       GLY 167  12.797 -12.410 -12.410
  808   2HA   GLY 167          2HA       GLY 167  11.413 -11.333 -11.333
  809    H    THR 168           H        THR 168  12.012  -9.132  -9.132
  810    HA   THR 168           HA       THR 168  14.682  -8.272  -8.272
  811    HB   THR 168           HB       THR 168  12.913  -6.089  -6.089
  812    HG1  THR 168          1HG       THR 168  11.400  -6.880  -6.880
  813   1HG2  THR 168          3HG2      THR 168  15.002  -6.474  -6.474
  814   2HG2  THR 168          2HG2      THR 168  14.227  -7.806  -7.806
  815   3HG2  THR 168          1HG2      THR 168  13.628  -6.160  -6.160
  816    H    THR 169           H        THR 169  13.376  -8.932  -8.932
  817    HA   THR 169           HA       THR 169  14.057  -6.437  -6.437
  818    HB   THR 169           HB       THR 169  11.948  -7.720  -7.720
  819    HG1  THR 169          1HG       THR 169  10.718  -8.375  -8.375
  820   1HG2  THR 169          1HG2      THR 169  12.562  -5.303  -5.303
  821   2HG2  THR 169          3HG2      THR 169  11.789  -5.144  -5.144
  822   3HG2  THR 169          2HG2      THR 169  10.837  -5.632  -5.632
  823    H    ARG 170           H        ARG 170  12.715  -9.526  -9.526
  824    HA   ARG 170           HA       ARG 170  15.107 -10.703 -10.703
  825   1HB   ARG 170          2HB       ARG 170  14.318 -10.272 -10.272
  826   2HB   ARG 170          1HB       ARG 170  15.637  -9.434  -9.434
  827   1HG   ARG 170          1HG       ARG 170  14.366  -7.519  -7.519
  828   2HG   ARG 170          2HG       ARG 170  12.841  -8.372  -8.372
  829   1HD   ARG 170          1HD       ARG 170  13.421  -6.928  -6.928
  830   2HD   ARG 170          2HD       ARG 170  13.319  -8.629  -8.629
  831    HE   ARG 170           HE       ARG 170  15.981  -7.978  -7.978
  832   1HH1  ARG 170          1HH1      ARG 170  13.583  -7.439  -7.439
  833   2HH1  ARG 170          2HH1      ARG 170  14.745  -7.235  -7.235
  834   1HH2  ARG 170          1HH2      ARG 170  17.521  -7.712  -7.712
  835   2HH2  ARG 170          2HH2      ARG 170  16.985  -7.391  -7.391
  836    H    ARG 171           H        ARG 171  12.181 -10.311 -10.311
  837    HA   ARG 171           HA       ARG 171  11.326 -13.012 -13.012
  838   1HB   ARG 171          2HB       ARG 171  10.911 -13.638 -13.638
  839   2HB   ARG 171          1HB       ARG 171  12.564 -13.044 -13.044
  840   1HG   ARG 171          2HG       ARG 171  12.159 -11.416 -11.416
  841   2HG   ARG 171          1HG       ARG 171  10.671 -10.938 -10.938
  842   1HD   ARG 171          1HD       ARG 171  10.202 -11.667 -11.667
  843   2HD   ARG 171          2HD       ARG 171   9.480 -12.771 -12.771
  844    HE   ARG 171           HE       ARG 171  10.774 -14.433 -14.433
  845   1HH1  ARG 171          1HH1      ARG 171  12.229 -11.371 -11.371
  846   2HH1  ARG 171          2HH1      ARG 171  13.474 -12.072 -12.072
  847   1HH2  ARG 171          1HH2      ARG 171  12.409 -15.366 -15.366
  848   2HH2  ARG 171          2HH2      ARG 171  13.575 -14.343 -14.343
  849    H    TRP 172           H        TRP 172   9.130 -12.908 -12.908
  850    HA   TRP 172           HA       TRP 172   7.167 -11.645 -11.645
  851   1HB   TRP 172          1HB       TRP 172   6.853 -12.186 -12.186
  852   2HB   TRP 172          2HB       TRP 172   5.622 -12.236 -12.236
  853    HD1  TRP 172           HD1      TRP 172   7.277 -14.548 -14.548
  854    HE1  TRP 172           HE1      TRP 172   7.488 -16.885 -16.885
  855    HE3  TRP 172           HE3      TRP 172   6.342 -13.330 -13.330
  856    HZ2  TRP 172          2HZ       TRP 172   7.285 -18.060 -18.060
  857    HZ3  TRP 172           HZ3      TRP 172   6.368 -15.122 -15.122
  858    HH2  TRP 172           HH2      TRP 172   6.831 -17.436 -17.436
  859    H    MET 173           H        MET 173   7.998  -9.542  -9.542
  860    HA   MET 173           HA       MET 173   8.257  -7.759  -7.759
  861   1HB   MET 173          1HB       MET 173   8.833  -7.532  -7.532
  862   2HB   MET 173          2HB       MET 173   8.782  -6.098  -6.098
  863   1HG   MET 173          1HG       MET 173  10.404  -8.171  -8.171
  864   2HG   MET 173          2HG       MET 173  10.952  -7.762  -7.762
  865   1HE   MET 173          2HE       MET 173   9.744  -6.249  -6.249
  866   2HE   MET 173          1HE       MET 173  11.358  -6.892  -6.892
  867   3HE   MET 173          3HE       MET 173  11.071  -5.152  -5.152
  868    H    CYS 174           H        CYS 174   6.637  -6.599  -6.599
  869    HA   CYS 174           HA       CYS 174   4.237  -6.253  -6.253
  870   1HB   CYS 174          2HB       CYS 174   4.858  -6.222  -6.222
  871   2HB   CYS 174          1HB       CYS 174   3.620  -5.091  -5.091
  872    HG   CYS 174           HG       CYS 174   2.044  -6.948  -6.948
  873    H    HIS 175           H        HIS 175   3.217  -4.110  -4.110
  874    HA   HIS 175           HA       HIS 175   5.118  -1.899  -1.899
  875   1HB   HIS 175          2HB       HIS 175   3.427  -2.372  -2.372
  876   2HB   HIS 175          1HB       HIS 175   4.542  -1.036  -1.036
  877    HD1  HIS 175           HD1      HIS 175   6.786  -1.373  -1.373
  878    HD2  HIS 175           HD2      HIS 175   4.891  -4.967  -4.967
  879    HE1  HIS 175           HE1      HIS 175   8.305  -3.200  -3.200
  880    H    GLY 176           H        GLY 176   4.246  -0.357  -0.357
  881   1HA   GLY 176          1HA       GLY 176   1.335  -0.200  -0.200
  882   2HA   GLY 176          2HA       GLY 176   2.510   0.602   0.602
  883    H    PHE 177           H        PHE 177   0.324   1.013   1.013
  884    HA   PHE 177           HA       PHE 177   1.640   3.486   3.486
  885   1HB   PHE 177          1HB       PHE 177  -0.029   1.470   1.470
  886   2HB   PHE 177          2HB       PHE 177  -0.459   3.135   3.135
  887    HD1  PHE 177           HD2      PHE 177   1.517   4.691   4.691
  888    HD2  PHE 177           HD1      PHE 177   1.657   0.440   0.440
  889    HE1  PHE 177           HE2      PHE 177   3.368   4.807   4.807
  890    HE2  PHE 177           HE1      PHE 177   3.508   0.548   0.548
  891    HZ   PHE 177           HZ       PHE 177   4.367   2.734   2.734
  892    H    LEU 178           H        LEU 178   0.901   5.315   5.315
  893    HA   LEU 178           HA       LEU 178  -1.898   5.428   5.428
  894   1HB   LEU 178          2HB       LEU 178   0.216   5.714   5.714
  895   2HB   LEU 178          1HB       LEU 178   0.121   7.364   7.364
  896    HG   LEU 178           HG       LEU 178  -2.435   7.056   7.056
  897   1HD1  LEU 178          3HD2      LEU 178  -1.059   4.794   4.794
  898   2HD1  LEU 178          2HD2      LEU 178  -1.847   5.808   5.808
  899   3HD1  LEU 178          1HD2      LEU 178  -2.786   5.130   5.130
  900   1HD2  LEU 178          3HD1      LEU 178  -0.080   8.204   8.204
  901   2HD2  LEU 178          2HD1      LEU 178  -1.748   8.774   8.774
  902   3HD2  LEU 178          1HD1      LEU 178  -1.162   7.634   7.634
  903    H    ALA 179           H        ALA 179  -3.058   6.453   6.453
  904    HA   ALA 179           HA       ALA 179  -2.161   8.141   8.141
  905   1HB   ALA 179          3HB       ALA 179  -4.700   7.313   7.313
  906   2HB   ALA 179          2HB       ALA 179  -4.746   9.029   9.029
  907   3HB   ALA 179          1HB       ALA 179  -4.276   7.851   7.851
  908    H    CYS 180           H        CYS 180  -1.883  10.315  10.315
  909    HA   CYS 180           HA       CYS 180  -1.142  11.840  11.840
  910   1HB   CYS 180          1HB       CYS 180  -0.149  12.313  12.313
  911   2HB   CYS 180          2HB       CYS 180  -1.724  12.635  12.635
  912    HG   CYS 180           HG       CYS 180  -0.983  14.571  14.571
  913    H    LYS 181           H        LYS 181  -3.935  12.131  12.131
  914    HA   LYS 181           HA       LYS 181  -5.230  14.129  14.129
  915   1HB   LYS 181          1HB       LYS 181  -6.577  12.258  12.258
  916   2HB   LYS 181          2HB       LYS 181  -7.067  13.885  13.885
  917   1HG   LYS 181          1HG       LYS 181  -4.605  13.156  13.156
  918   2HG   LYS 181          2HG       LYS 181  -6.099  13.830  13.830
  919   1HD   LYS 181          2HD       LYS 181  -5.310  15.531  15.531
  920   2HD   LYS 181          1HD       LYS 181  -3.857  15.187  15.187
  921   1HE   LYS 181          1HE       LYS 181  -4.765  16.074  16.074
  922   2HE   LYS 181          2HE       LYS 181  -6.416  15.962  15.962
  923   1HZ   LYS 181          1HZ       LYS 181  -4.458  17.738  17.738
  924   2HZ   LYS 181          3HZ       LYS 181  -5.285  18.246  18.246
  925   3HZ   LYS 181          2HZ       LYS 181  -6.147  17.828  17.828
  926    H    ASP 182           H        ASP 182  -5.021  10.700  10.700
  927    HA   ASP 182           HA       ASP 182  -6.062   9.124   9.124
  928   1HB   ASP 182          2HB       ASP 182  -6.775  10.774  10.774
  929   2HB   ASP 182          1HB       ASP 182  -5.550   9.521   9.521
  930    H    SER 183           H        SER 183  -7.864   9.260   9.260
  931    HA   SER 183           HA       SER 183 -10.345   9.311   9.311
  932   1HB   SER 183          1HB       SER 183 -11.338  11.006  11.006
  933   2HB   SER 183          2HB       SER 183 -10.444  11.620  11.620
  934    HG   SER 183           HG       SER 183  -9.361  12.632  12.632
  935    H    GLY 184           H        GLY 184  -8.691   7.544   7.544
  936   1HA   GLY 184          2HA       GLY 184  -8.927   6.104   6.104
  937   2HA   GLY 184          1HA       GLY 184 -10.595   6.051   6.051
  938    H    GLU 185           H        GLU 185  -9.208   9.009   9.009
  939    HA   GLU 185           HA       GLU 185 -10.609   8.628   8.628
  940   1HB   GLU 185          1HB       GLU 185 -11.060  10.697  10.697
  941   2HB   GLU 185          2HB       GLU 185 -10.957  11.289  11.289
  942   1HG   GLU 185          1HG       GLU 185 -13.055  10.694  10.694
  943   2HG   GLU 185          2HG       GLU 185 -12.629   9.012   9.012
  944    H    ARG 186           H        ARG 186  -8.038   8.141   8.141
  945    HA   ARG 186           HA       ARG 186  -6.951  10.027  10.027
  946   1HB   ARG 186          2HB       ARG 186  -6.716  11.023  11.023
  947   2HB   ARG 186          1HB       ARG 186  -5.268  10.027  10.027
  948   1HG   ARG 186          2HG       ARG 186  -4.675  12.235  12.235
  949   2HG   ARG 186          1HG       ARG 186  -4.580  11.182  11.182
  950   1HD   ARG 186          1HD       ARG 186  -6.484  12.081  12.081
  951   2HD   ARG 186          2HD       ARG 186  -7.096  12.688  12.688
  952    HE   ARG 186           HE       ARG 186  -4.662  13.966  13.966
  953   1HH1  ARG 186          1HH1      ARG 186  -8.091  13.916  13.916
  954   2HH1  ARG 186          2HH1      ARG 186  -8.161  15.572  15.572
  955   1HH2  ARG 186          1HH2      ARG 186  -4.741  16.150  16.150
  956   2HH2  ARG 186          2HH2      ARG 186  -6.257  16.841  16.841
  957    H    LEU 187           H        LEU 187  -6.308   7.463   7.463
  958    HA   LEU 187           HA       LEU 187  -4.411   6.288   6.288
  959   1HB   LEU 187          2HB       LEU 187  -4.360   6.330   6.330
  960   2HB   LEU 187          1HB       LEU 187  -3.508   5.089   5.089
  961    HG   LEU 187           HG       LEU 187  -2.146   6.789   6.789
  962   1HD1  LEU 187          3HD1      LEU 187  -3.998   8.630   8.630
  963   2HD1  LEU 187          2HD1      LEU 187  -2.349   9.144   9.144
  964   3HD1  LEU 187          1HD1      LEU 187  -3.427   8.691   8.691
  965   1HD2  LEU 187          3HD2      LEU 187  -2.078   6.111   6.111
  966   2HD2  LEU 187          2HD2      LEU 187  -0.739   6.603   6.603
  967   3HD2  LEU 187          1HD2      LEU 187  -1.641   7.815   7.815
  968    H    SER 188           H        SER 188  -6.929   5.662   5.662
  969    HA   SER 188           HA       SER 188  -7.090   2.905   2.905
  970   1HB   SER 188          2HB       SER 188  -8.389   4.199   4.199
  971   2HB   SER 188          1HB       SER 188  -9.354   4.894   4.894
  972    HG   SER 188           HG       SER 188 -10.335   2.980   2.980
  973    H    HIS 189           H        HIS 189  -8.958   5.258   5.258
  974    HA   HIS 189           HA       HIS 189  -9.961   3.221   3.221
  975   1HB   HIS 189          2HB       HIS 189 -10.603   5.903   5.903
  976   2HB   HIS 189          1HB       HIS 189 -10.148   5.871   5.871
  977    HD1  HIS 189           HD1      HIS 189 -12.170   5.597   5.597
  978    HD2  HIS 189           HD2      HIS 189 -12.478   3.502   3.502
  979    HE1  HIS 189           HE1      HIS 189 -14.413   4.430   4.430
  980    H    ALA 190           H        ALA 190  -7.282   5.463   5.463
  981    HA   ALA 190           HA       ALA 190  -6.632   5.267   5.267
  982   1HB   ALA 190          3HB       ALA 190  -5.810   6.918   6.918
  983   2HB   ALA 190          2HB       ALA 190  -4.494   5.746   5.746
  984   3HB   ALA 190          1HB       ALA 190  -4.813   6.562   6.562
  985    H    VAL 191           H        VAL 191  -4.852   3.902   3.902
  986    HA   VAL 191           HA       VAL 191  -3.252   2.167   2.167
  987    HB   VAL 191           HB       VAL 191  -4.252   1.695   1.695
  988   1HG1  VAL 191          2HG2      VAL 191  -2.319   0.362   0.362
  989   2HG1  VAL 191          1HG2      VAL 191  -1.644   0.849   0.849
  990   3HG1  VAL 191          3HG2      VAL 191  -3.071  -0.187  -0.187
  991   1HG2  VAL 191          1HG1      VAL 191  -2.972   3.942   3.942
  992   2HG2  VAL 191          3HG1      VAL 191  -2.874   3.284   3.284
  993   3HG2  VAL 191          2HG1      VAL 191  -1.615   2.913   2.913
  994    H    GLY 192           H        GLY 192  -6.259   1.374   1.374
  995   1HA   GLY 192          1HA       GLY 192  -6.466  -1.294  -1.294
  996   2HA   GLY 192          2HA       GLY 192  -7.854  -0.233  -0.233
  997    H    CYS 193           H        CYS 193  -7.571   1.434   1.434
  998    HA   CYS 193           HA       CYS 193  -8.611  -0.186  -0.186
  999   1HB   CYS 193          2HB       CYS 193  -9.043   2.325   2.325
 1000   2HB   CYS 193          1HB       CYS 193  -7.599   2.609   2.609
 1001    HG   CYS 193           HG       CYS 193  -8.952   1.338   1.338
 1002    H    ALA 194           H        ALA 194  -5.447   0.988   0.988
 1003    HA   ALA 194           HA       ALA 194  -4.141   0.859   0.859
 1004   1HB   ALA 194          1HB       ALA 194  -3.380   1.333   1.333
 1005   2HB   ALA 194          3HB       ALA 194  -2.572  -0.195  -0.195
 1006   3HB   ALA 194          2HB       ALA 194  -2.286   1.210   1.210
 1007    H    PHE 195           H        PHE 195  -4.883  -1.711  -1.711
 1008    HA   PHE 195           HA       PHE 195  -3.482  -3.777  -3.777
 1009   1HB   PHE 195          1HB       PHE 195  -5.881  -3.848  -3.848
 1010   2HB   PHE 195          2HB       PHE 195  -5.031  -5.289  -5.289
 1011    HD1  PHE 195           HD1      PHE 195  -2.804  -5.807  -5.807
 1012    HD2  PHE 195           HD2      PHE 195  -4.890  -2.356  -2.356
 1013    HE1  PHE 195           HE1      PHE 195  -1.207  -5.578  -5.578
 1014    HE2  PHE 195           HE2      PHE 195  -3.297  -2.120  -2.120
 1015    HZ   PHE 195           HZ       PHE 195  -1.453  -3.734  -3.734
 1016    H    ALA 196           H        ALA 196  -6.458  -2.193  -2.193
 1017    HA   ALA 196           HA       ALA 196  -7.965  -4.057  -4.057
 1018   1HB   ALA 196          3HB       ALA 196  -8.473  -1.604  -1.604
 1019   2HB   ALA 196          2HB       ALA 196  -7.521  -1.292  -1.292
 1020   3HB   ALA 196          1HB       ALA 196  -8.975  -2.287  -2.287
 1021    H    VAL 197           H        VAL 197  -4.932  -2.669  -2.669
 1022    HA   VAL 197           HA       VAL 197  -5.111  -3.633  -3.633
 1023    HB   VAL 197           HB       VAL 197  -2.782  -2.448  -2.448
 1024   1HG1  VAL 197          3HG2      VAL 197  -2.012  -3.903  -3.903
 1025   2HG1  VAL 197          2HG2      VAL 197  -3.053  -3.047  -3.047
 1026   3HG1  VAL 197          1HG2      VAL 197  -1.704  -2.207  -2.207
 1027   1HG2  VAL 197          1HG1      VAL 197  -4.766  -1.288  -1.288
 1028   2HG2  VAL 197          3HG1      VAL 197  -4.469  -0.802  -0.802
 1029   3HG2  VAL 197          2HG1      VAL 197  -3.253  -0.492  -0.492
 1030    H    CYS 198           H        CYS 198  -3.761  -4.673  -4.673
 1031    HA   CYS 198           HA       CYS 198  -1.995  -6.650  -6.650
 1032   1HB   CYS 198          1HB       CYS 198  -2.701  -5.741  -5.741
 1033   2HB   CYS 198          2HB       CYS 198  -3.637  -7.230  -7.230
 1034    HG   CYS 198           HG       CYS 198  -0.906  -7.210  -7.210
 1035    H    LEU 199           H        LEU 199  -5.476  -6.729  -6.729
 1036    HA   LEU 199           HA       LEU 199  -5.601  -9.464  -9.464
 1037   1HB   LEU 199          2HB       LEU 199  -7.943  -7.908  -7.908
 1038   2HB   LEU 199          1HB       LEU 199  -7.732  -9.647  -9.647
 1039    HG   LEU 199           HG       LEU 199  -5.757  -9.126  -9.126
 1040   1HD1  LEU 199          1HD1      LEU 199  -7.210  -6.638  -6.638
 1041   2HD1  LEU 199          3HD1      LEU 199  -7.242  -7.295  -7.295
 1042   3HD1  LEU 199          2HD1      LEU 199  -5.699  -7.010  -7.010
 1043   1HD2  LEU 199          2HD2      LEU 199  -8.676  -9.273  -9.273
 1044   2HD2  LEU 199          1HD2      LEU 199  -7.593 -10.635 -10.635
 1045   3HD2  LEU 199          3HD2      LEU 199  -7.332  -9.578  -9.578
 1046    H    GLU 200           H        GLU 200  -6.611  -6.170  -6.170
 1047    HA   GLU 200           HA       GLU 200  -7.429  -5.100  -5.100
 1048   1HB   GLU 200          2HB       GLU 200  -5.409  -6.036  -6.036
 1049   2HB   GLU 200          1HB       GLU 200  -6.291  -7.499  -7.499
 1050   1HG   GLU 200          1HG       GLU 200  -7.426  -6.495  -6.495
 1051   2HG   GLU 200          2HG       GLU 200  -7.341  -4.896  -4.896
 1052    H    ARG 201           H        ARG 201  -9.047  -7.302  -7.302
 1053    HA   ARG 201           HA       ARG 201 -11.424  -6.943  -6.943
 1054   1HB   ARG 201          1HB       ARG 201  -9.884  -8.643  -8.643
 1055   2HB   ARG 201          2HB       ARG 201 -10.767  -9.783  -9.783
 1056   1HG   ARG 201          2HG       ARG 201 -12.502  -9.616  -9.616
 1057   2HG   ARG 201          1HG       ARG 201 -12.638  -7.900  -7.900
 1058   1HD   ARG 201          2HD       ARG 201 -11.154  -7.313  -7.313
 1059   2HD   ARG 201          1HD       ARG 201 -10.807  -9.010  -9.010
 1060    HE   ARG 201           HE       ARG 201 -13.539  -8.711  -8.711
 1061   1HH1  ARG 201          1HH2      ARG 201 -10.666  -7.422  -7.422
 1062   2HH1  ARG 201          2HH2      ARG 201 -11.416  -7.180  -7.180
 1063   1HH2  ARG 201          1HH1      ARG 201 -14.537  -8.397  -8.397
 1064   2HH2  ARG 201          2HH1      ARG 201 -13.618  -7.734  -7.734
 1065    H    LYS 202           H        LYS 202 -10.432  -7.060  -7.060
 1066    HA   LYS 202           HA       LYS 202 -10.804  -8.002  -8.002
 1067   1HB   LYS 202          2HB       LYS 202 -13.579  -8.562  -8.562
 1068   2HB   LYS 202          1HB       LYS 202 -13.070  -7.975  -7.975
 1069   1HG   LYS 202          1HG       LYS 202 -13.058  -6.427  -6.427
 1070   2HG   LYS 202          2HG       LYS 202 -14.157  -6.208  -6.208
 1071   1HD   LYS 202          1HD       LYS 202 -11.372  -6.067  -6.067
 1072   2HD   LYS 202          2HD       LYS 202 -11.773  -4.865  -4.865
 1073   1HE   LYS 202          2HE       LYS 202 -13.538  -5.266  -5.266
 1074   2HE   LYS 202          1HE       LYS 202 -12.091  -4.264  -4.264
 1075   1HZ   LYS 202          2HZ       LYS 202 -13.187  -3.267  -3.267
 1076   2HZ   LYS 202          1HZ       LYS 202 -14.593  -3.763  -3.763
 1077   3HZ   LYS 202          3HZ       LYS 202 -13.532  -2.677  -2.677
 1078    H    GLN 203           H        GLN 203  -9.698  -9.898  -9.898
 1079    HA   GLN 203           HA       GLN 203 -10.963 -12.307 -12.307
 1080   1HB   GLN 203          1HB       GLN 203  -8.354 -11.383 -11.383
 1081   2HB   GLN 203          2HB       GLN 203  -8.232 -12.689 -12.689
 1082   1HG   GLN 203          1HG       GLN 203  -8.119 -14.055 -14.055
 1083   2HG   GLN 203          2HG       GLN 203  -9.843 -13.753 -13.753
 1084   1HE2  GLN 203          1HE2      GLN 203  -7.805 -13.072 -13.072
 1085   2HE2  GLN 203          2HE2      GLN 203  -7.778 -14.370 -14.370
 1086    H    ARG 204           H        ARG 204  -9.650 -10.947 -10.947
 1087    HA   ARG 204           HA       ARG 204  -9.497 -11.740 -11.740
 1088   1HB   ARG 204          2HB       ARG 204 -12.259 -12.189 -12.189
 1089   2HB   ARG 204          1HB       ARG 204 -11.839 -12.934 -12.934
 1090   1HG   ARG 204          1HG       ARG 204 -11.945 -10.992 -10.992
 1091   2HG   ARG 204          2HG       ARG 204 -10.977 -10.169 -10.169
 1092   1HD   ARG 204          1HD       ARG 204 -12.812  -9.118  -9.118
 1093   2HD   ARG 204          2HD       ARG 204 -13.464 -10.671 -10.671
 1094    HE   ARG 204           HE       ARG 204 -14.201  -9.173  -9.173
 1095   1HH1  ARG 204          2HH1      ARG 204 -14.170 -12.298 -12.298
 1096   2HH1  ARG 204          1HH1      ARG 204 -15.488 -12.916 -12.916
 1097   1HH2  ARG 204          1HH2      ARG 204 -15.937  -9.977  -9.977
 1098   2HH2  ARG 204          2HH2      ARG 204 -16.492 -11.596 -11.596
 1099    H    ARG 205           H        ARG 205  -7.885 -13.371 -13.371
 1100    HA   ARG 205           HA       ARG 205  -8.475 -16.021 -16.021
 1101   1HB   ARG 205          1HB       ARG 205  -6.112 -16.470 -16.470
 1102   2HB   ARG 205          2HB       ARG 205  -6.277 -15.297 -15.297
 1103   1HG   ARG 205          2HG       ARG 205  -6.025 -13.473 -13.473
 1104   2HG   ARG 205          1HG       ARG 205  -5.959 -14.611 -14.611
 1105   1HD   ARG 205          1HD       ARG 205  -3.995 -14.517 -14.517
 1106   2HD   ARG 205          2HD       ARG 205  -3.728 -13.801 -13.801
 1107    HE   ARG 205           HE       ARG 205  -4.351 -16.467 -16.467
 1108   1HH1  ARG 205          1HH1      ARG 205  -1.864 -14.621 -14.621
 1109   2HH1  ARG 205          2HH1      ARG 205  -0.636 -15.816 -15.816
 1110   1HH2  ARG 205          1HH2      ARG 205  -2.741 -18.048 -18.048
 1111   2HH2  ARG 205          2HH2      ARG 205  -1.134 -17.764 -17.764
 1112    H    THR 206           H        THR 206  -9.521 -17.432 -17.432
 1113    HA   THR 206           HA       THR 206  -8.792 -17.745 -17.745
 1114    HB   THR 206           HB       THR 206 -11.217 -17.843 -17.843
 1115    HG1  THR 206          1HG       THR 206 -11.480 -16.991 -16.991
 1116   1HG2  THR 206          3HG2      THR 206  -9.855 -15.820 -15.820
 1117   2HG2  THR 206          2HG2      THR 206 -10.440 -15.158 -15.158
 1118   3HG2  THR 206          1HG2      THR 206 -11.575 -15.497 -15.497
 1119    H    ARG 207           H        ARG 207  -8.544 -19.240 -19.240
 1120    HA   ARG 207           HA       ARG 207  -9.675 -21.766 -21.766
 1121   1HB   ARG 207          1HB       ARG 207 -10.691 -20.420 -20.420
 1122   2HB   ARG 207          2HB       ARG 207  -9.611 -21.613 -21.613
 1123   1HG   ARG 207          2HG       ARG 207 -11.622 -22.405 -22.405
 1124   2HG   ARG 207          1HG       ARG 207 -12.079 -22.231 -22.231
 1125   1HD   ARG 207          1HD       ARG 207  -9.647 -23.747 -23.747
 1126   2HD   ARG 207          2HD       ARG 207 -10.911 -24.457 -24.457
 1127    HE   ARG 207           HE       ARG 207 -12.129 -23.983 -23.983
 1128   1HH1  ARG 207          1HH1      ARG 207  -9.294 -25.732 -25.732
 1129   2HH1  ARG 207          2HH1      ARG 207  -9.400 -26.900 -26.900
 1130   1HH2  ARG 207          2HH2      ARG 207 -12.278 -25.515 -25.515
 1131   2HH2  ARG 207          1HH2      ARG 207 -11.095 -26.777 -26.777
 1132    H    ALA 208           H        ALA 208  -7.615 -20.444 -20.444
 1133    HA   ALA 208           HA       ALA 208  -5.415 -22.121 -22.121
 1134   1HB   ALA 208          2HB       ALA 208  -6.620 -22.391 -22.391
 1135   2HB   ALA 208          1HB       ALA 208  -5.059 -23.057 -23.057
 1136   3HB   ALA 208          3HB       ALA 208  -6.537 -23.629 -23.629
 1137    H    ALA 209           H        ALA 209  -6.073 -20.525 -20.525
 1138    HA   ALA 209           HA       ALA 209  -5.025 -18.827 -18.827
 1139   1HB   ALA 209          3HB       ALA 209  -4.931 -17.990 -17.990
 1140   2HB   ALA 209          2HB       ALA 209  -3.884 -17.125 -17.125
 1141   3HB   ALA 209          1HB       ALA 209  -5.625 -17.177 -17.177
 1142    H    ALA 210           H        ALA 210  -2.948 -18.082 -18.082
 1143    HA   ALA 210           HA       ALA 210  -0.758 -18.394 -18.394
 1144   1HB   ALA 210          2HB       ALA 210  -0.838 -17.839 -17.839
 1145   2HB   ALA 210          1HB       ALA 210   0.085 -19.342 -19.342
 1146   3HB   ALA 210          3HB       ALA 210   0.632 -17.950 -17.950
 1147   1H    ALA   1          2HT       ALA   1 -14.160  -8.154  -8.154
 1148   2H    ALA   1          1HT       ALA   1 -12.662  -8.342  -8.342
 1149   3H    ALA   1          3HT       ALA   1 -13.909  -7.397  -7.397
 1150    HA   ALA   1           HA       ALA   1 -13.743  -5.785  -5.785
 1151   1HB   ALA   1          3HB       ALA   1 -11.492  -6.562  -6.562
 1152   2HB   ALA   1          2HB       ALA   1 -11.017  -5.582  -5.582
 1153   3HB   ALA   1          1HB       ALA   1 -12.223  -4.977  -4.977
 1154    H    TYR   2           H        TYR   2 -11.812  -4.961  -4.961
 1155    HA   TYR   2           HA       TYR   2 -12.157  -6.423  -6.423
 1156   1HB   TYR   2          1HB       TYR   2 -10.126  -4.937  -4.937
 1157   2HB   TYR   2          2HB       TYR   2 -11.695  -4.211  -4.211
 1158    HD1  TYR   2           HD1      TYR   2  -9.256  -5.334  -5.334
 1159    HD2  TYR   2           HD2      TYR   2 -11.022  -2.023  -2.023
 1160    HE1  TYR   2           HE1      TYR   2  -8.214  -3.797  -3.797
 1161    HE2  TYR   2           HE2      TYR   2  -9.986  -0.483  -0.483
 1162    HH   TYR   2           HH2      TYR   2  -9.133  -0.637  -0.637
 1163    H    ILE   3           H        ILE   3  -9.944  -6.769  -6.769
 1164    HA   ILE   3           HA       ILE   3  -9.004  -9.239  -9.239
 1165    HB   ILE   3           HB       ILE   3  -7.408  -7.102  -7.102
 1166   1HG1  ILE   3          1HG1      ILE   3  -8.503  -8.736  -8.736
 1167   2HG1  ILE   3          2HG1      ILE   3  -9.799  -8.646  -8.646
 1168   1HG2  ILE   3          1HG2      ILE   3  -7.200 -10.105 -10.105
 1169   2HG2  ILE   3          3HG2      ILE   3  -6.423  -9.080  -9.080
 1170   3HG2  ILE   3          2HG2      ILE   3  -5.978  -8.933  -8.933
 1171   1HD1  ILE   3          2HD1      ILE   3  -9.213  -6.060  -6.060
 1172   2HD1  ILE   3          1HD1      ILE   3  -8.684  -6.552  -6.552
 1173   3HD1  ILE   3          3HD1      ILE   3 -10.347  -6.847  -6.847
 1174    H    GLY   4           H        GLY   4  -7.941  -6.229  -6.229
 1175   1HA   GLY   4          1HA       GLY   4  -5.404  -6.884  -6.884
 1176   2HA   GLY   4          2HA       GLY   4  -6.551  -5.873  -5.873
 1177    HA   PRO   5           HA       PRO   5  -6.984  -9.038  -9.038
 1178   1HB   PRO   5          2HB       PRO   5  -9.886  -8.400  -8.400
 1179   2HB   PRO   5          1HB       PRO   5  -8.771  -8.355  -8.355
 1180   1HG   PRO   5          1HG       PRO   5  -9.618  -6.092  -6.092
 1181   2HG   PRO   5          2HG       PRO   5  -7.908  -6.267  -6.267
 1182   1HD   PRO   5          2HD       PRO   5  -9.188  -6.555  -6.555
 1183   2HD   PRO   5          1HD       PRO   5  -7.735  -5.636  -5.636
 1184   1HN   PTR   6           H        PTR   6  -6.763 -11.056 -11.056
 1185    HA   PTR   6           HA       PTR   6  -7.155 -12.936 -12.936
 1186   1HB   PTR   6          1HB       PTR   6  -8.776 -13.256 -13.256
 1187   2HB   PTR   6          2HB       PTR   6  -9.346 -13.966 -13.966
 1188    HD1  PTR   6           HD1      PTR   6  -9.922 -11.298 -11.298
 1189    HD2  PTR   6           HD2      PTR   6 -11.127 -12.556 -12.556
 1190    HE1  PTR   6           HE1      PTR   6 -12.267 -10.821 -10.821
 1191    HE2  PTR   6           HE2      PTR   6 -13.517 -12.325 -12.325
 1192    H    LEU   7           H        LEU   7  -9.256 -13.784 -13.784
 1193    HA   LEU   7           HA       LEU   7 -10.183 -13.579 -13.579
 1194   1HB   LEU   7          2HB       LEU   7 -10.296 -10.892 -10.892
 1195   2HB   LEU   7          1HB       LEU   7 -10.057 -10.864 -10.864
 1196    HG   LEU   7           HG       LEU   7 -12.353 -12.061 -12.061
 1197   1HD1  LEU   7          1HD1      LEU   7 -12.095  -9.902  -9.902
 1198   2HD1  LEU   7          3HD1      LEU   7 -13.637 -10.592 -10.592
 1199   3HD1  LEU   7          2HD1      LEU   7 -12.628  -9.736  -9.736
 1200   1HD2  LEU   7          3HD2      LEU   7 -11.250 -12.858 -12.858
 1201   2HD2  LEU   7          2HD2      LEU   7 -12.426 -13.672 -13.672
 1202   3HD2  LEU   7          1HD2      LEU   7 -12.952 -12.403 -12.403

  Start of MODEL    6
    1    HA   SER  64           HA       SER  64 -19.214   9.349   9.349
    2   1HB   SER  64          2HB       SER  64 -19.468  10.067  10.067
    3   2HB   SER  64          1HB       SER  64 -20.146   8.584   8.584
    4    HG   SER  64           HG       SER  64 -21.517  10.268  10.268
    5    H    LYS  65           H        LYS  65 -17.298  10.322  10.322
    6    HA   LYS  65           HA       LYS  65 -17.301  13.257  13.257
    7   1HB   LYS  65          2HB       LYS  65 -14.857  11.551  11.551
    8   2HB   LYS  65          1HB       LYS  65 -15.159  13.182  13.182
    9   1HG   LYS  65          2HG       LYS  65 -17.097  11.895  11.895
   10   2HG   LYS  65          1HG       LYS  65 -15.932  10.578  10.578
   11   1HD   LYS  65          2HD       LYS  65 -14.271  11.759  11.759
   12   2HD   LYS  65          1HD       LYS  65 -15.133  13.292  13.292
   13   1HE   LYS  65          1HE       LYS  65 -16.730  11.281  11.281
   14   2HE   LYS  65          2HE       LYS  65 -15.200  11.567  11.567
   15   1HZ   LYS  65          1HZ       LYS  65 -16.638  13.940  13.940
   16   2HZ   LYS  65          3HZ       LYS  65 -17.374  13.047  13.047
   17   3HZ   LYS  65          2HZ       LYS  65 -15.802  13.638  13.638
   18    HA   PRO  66           HA       PRO  66 -16.012  12.178  12.178
   19   1HB   PRO  66          1HB       PRO  66 -17.762  13.787  13.787
   20   2HB   PRO  66          2HB       PRO  66 -18.192  12.156  12.156
   21   1HG   PRO  66          1HG       PRO  66 -18.788  14.789  14.789
   22   2HG   PRO  66          2HG       PRO  66 -19.852  13.389  13.389
   23   1HD   PRO  66          1HD       PRO  66 -18.584  13.931  13.931
   24   2HD   PRO  66          2HD       PRO  66 -18.988  12.285  12.285
   25    H    HIS  67           H        HIS  67 -14.426  13.712  13.712
   26    HA   HIS  67           HA       HIS  67 -13.900  16.002  16.002
   27   1HB   HIS  67          1HB       HIS  67 -15.164  16.809  16.809
   28   2HB   HIS  67          2HB       HIS  67 -13.832  16.235  16.235
   29    HD1  HIS  67           HD1      HIS  67 -13.035  17.915  17.915
   30    HD2  HIS  67           HD2      HIS  67 -13.258  18.846  18.846
   31    HE1  HIS  67           HE1      HIS  67 -11.919  20.168  20.168
   32    H    GLN  68           H        GLN  68 -12.673  14.377  14.377
   33    HA   GLN  68           HA       GLN  68  -9.970  14.508  14.508
   34   1HB   GLN  68          1HB       GLN  68 -10.980  14.288  14.288
   35   2HB   GLN  68          2HB       GLN  68  -9.322  13.870  13.870
   36   1HG   GLN  68          2HG       GLN  68  -9.096  16.169  16.169
   37   2HG   GLN  68          1HG       GLN  68 -10.666  16.542  16.542
   38   1HE2  GLN  68          1HE2      GLN  68  -8.549  17.796  17.796
   39   2HE2  GLN  68          2HE2      GLN  68  -9.327  18.211  18.211
   40    H    TRP  69           H        TRP  69 -12.313  12.346  12.346
   41    HA   TRP  69           HA       TRP  69 -10.765  10.002  10.002
   42   1HB   TRP  69          2HB       TRP  69 -13.648  10.662  10.662
   43   2HB   TRP  69          1HB       TRP  69 -13.264   9.020   9.020
   44    HD1  TRP  69           HD1      TRP  69 -10.621  10.225  10.225
   45    HE1  TRP  69           HE1      TRP  69 -10.964   9.280   9.280
   46    HE3  TRP  69           HE3      TRP  69 -15.389   8.448   8.448
   47    HZ2  TRP  69          2HZ       TRP  69 -12.985   7.956   7.956
   48    HZ3  TRP  69           HZ3      TRP  69 -16.454   7.356   7.356
   49    HH2  TRP  69           HH2      TRP  69 -15.276   7.116   7.116
   50    H    GLN  70           H        GLN  70 -13.026  11.352  11.352
   51    HA   GLN  70           HA       GLN  70 -13.128   9.324   9.324
   52   1HB   GLN  70          1HB       GLN  70 -13.780  10.945  10.945
   53   2HB   GLN  70          2HB       GLN  70 -14.354  11.531  11.531
   54   1HG   GLN  70          1HG       GLN  70 -12.705  13.190  13.190
   55   2HG   GLN  70          2HG       GLN  70 -11.755  12.452  12.452
   56   1HE2  GLN  70          2HE2      GLN  70 -13.116  14.950  14.950
   57   2HE2  GLN  70          1HE2      GLN  70 -11.727  14.379  14.379
   58    H    ALA  71           H        ALA  71 -10.563  11.648  11.648
   59    HA   ALA  71           HA       ALA  71  -9.071  10.925  10.925
   60   1HB   ALA  71          1HB       ALA  71  -8.476  12.605  12.605
   61   2HB   ALA  71          3HB       ALA  71  -7.237  12.240  12.240
   62   3HB   ALA  71          2HB       ALA  71  -8.698  13.110  13.110
   63    H    ASP  72           H        ASP  72  -8.142  10.655  10.655
   64    HA   ASP  72           HA       ASP  72  -6.021   8.965   8.965
   65   1HB   ASP  72          2HB       ASP  72  -8.040   8.784   8.784
   66   2HB   ASP  72          1HB       ASP  72  -6.343   8.315   8.315
   67    H    GLU  73           H        GLU  73  -9.429   8.006   8.006
   68    HA   GLU  73           HA       GLU  73  -9.176   5.272   5.272
   69   1HB   GLU  73          2HB       GLU  73 -11.305   6.673   6.673
   70   2HB   GLU  73          1HB       GLU  73 -11.246   6.632   6.632
   71   1HG   GLU  73          2HG       GLU  73 -10.965   3.985   3.985
   72   2HG   GLU  73          1HG       GLU  73 -12.424   4.770   4.770
   73    H    GLU  74           H        GLU  74  -8.897   7.354   7.354
   74    HA   GLU  74           HA       GLU  74  -8.559   5.095   5.095
   75   1HB   GLU  74          2HB       GLU  74  -8.809   8.045   8.045
   76   2HB   GLU  74          1HB       GLU  74  -7.938   7.177   7.177
   77   1HG   GLU  74          2HG       GLU  74  -9.883   5.741   5.741
   78   2HG   GLU  74          1HG       GLU  74 -10.755   6.619   6.619
   79    H    ALA  75           H        ALA  75  -6.610   7.554   7.554
   80    HA   ALA  75           HA       ALA  75  -4.222   7.325   7.325
   81   1HB   ALA  75          3HB       ALA  75  -4.831   7.914   7.914
   82   2HB   ALA  75          2HB       ALA  75  -3.171   7.863   7.863
   83   3HB   ALA  75          1HB       ALA  75  -4.317   9.020   9.020
   84    H    VAL  76           H        VAL  76  -5.085   5.559   5.559
   85    HA   VAL  76           HA       VAL  76  -2.920   3.863   3.863
   86    HB   VAL  76           HB       VAL  76  -4.364   2.353   2.353
   87   1HG1  VAL  76          3HG2      VAL  76  -3.356   4.384   4.384
   88   2HG1  VAL  76          2HG2      VAL  76  -4.871   5.233   5.233
   89   3HG1  VAL  76          1HG2      VAL  76  -4.838   3.859   3.859
   90   1HG2  VAL  76          2HG1      VAL  76  -6.479   3.915   3.915
   91   2HG2  VAL  76          1HG1      VAL  76  -6.469   2.230   2.230
   92   3HG2  VAL  76          3HG1      VAL  76  -6.753   3.512   3.512
   93    H    ARG  77           H        ARG  77  -5.888   3.603   3.603
   94    HA   ARG  77           HA       ARG  77  -5.724   0.975   0.975
   95   1HB   ARG  77          1HB       ARG  77  -7.258   3.233   3.233
   96   2HB   ARG  77          2HB       ARG  77  -6.530   2.736   2.736
   97   1HG   ARG  77          2HG       ARG  77  -7.471   0.398   0.398
   98   2HG   ARG  77          1HG       ARG  77  -8.750   1.608   1.608
   99   1HD   ARG  77          2HD       ARG  77  -7.360   0.661   0.661
  100   2HD   ARG  77          1HD       ARG  77  -9.034   0.362   0.362
  101    HE   ARG  77           HE       ARG  77  -8.921   3.050   3.050
  102   1HH1  ARG  77          2HH2      ARG  77  -7.939   0.584   0.584
  103   2HH1  ARG  77          1HH2      ARG  77  -8.224   1.567   1.567
  104   1HH2  ARG  77          1HH1      ARG  77  -9.300   4.352   4.352
  105   2HH2  ARG  77          2HH1      ARG  77  -8.999   3.709   3.709
  106    H    SER  78           H        SER  78  -4.266   3.884   3.884
  107    HA   SER  78           HA       SER  78  -2.687   2.191   2.191
  108   1HB   SER  78          1HB       SER  78  -3.966   4.601   4.601
  109   2HB   SER  78          2HB       SER  78  -2.282   5.082   5.082
  110    HG   SER  78           HG       SER  78  -2.929   2.920   2.920
  111    H    ALA  79           H        ALA  79  -2.275   2.728   2.728
  112    HA   ALA  79           HA       ALA  79  -0.545   3.016   3.016
  113   1HB   ALA  79          2HB       ALA  79   0.990   2.242   2.242
  114   2HB   ALA  79          1HB       ALA  79   1.698   2.353   2.353
  115   3HB   ALA  79          3HB       ALA  79   0.421   1.179   1.179
  116    H    THR  80           H        THR  80  -0.752   5.205   5.205
  117    HA   THR  80           HA       THR  80   1.431   6.842   6.842
  118    HB   THR  80           HB       THR  80   0.922   7.049   7.049
  119    HG1  THR  80          1HG       THR  80  -0.293   9.330   9.330
  120   1HG2  THR  80          3HG2      THR  80  -1.840   6.937   6.937
  121   2HG2  THR  80          2HG2      THR  80  -1.536   8.224   8.224
  122   3HG2  THR  80          1HG2      THR  80  -1.119   6.558   6.558
  123    H    CYS  81           H        CYS  81  -0.111   6.272   6.272
  124    HA   CYS  81           HA       CYS  81  -1.439   8.848   8.848
  125   1HB   CYS  81          2HB       CYS  81  -2.606   6.334   6.334
  126   2HB   CYS  81          1HB       CYS  81  -2.214   6.673   6.673
  127    HG   CYS  81           HG       CYS  81  -3.825   8.830   8.830
  128    H    SER  82           H        SER  82  -1.194   9.721   9.721
  129    HA   SER  82           HA       SER  82   0.617   8.492   8.492
  130   1HB   SER  82          2HB       SER  82   1.477  11.170  11.170
  131   2HB   SER  82          1HB       SER  82   2.407  10.018  10.018
  132    HG   SER  82           HG       SER  82   3.147   9.664   9.664
  133    H    PHE  83           H        PHE  83   0.478   9.382   9.382
  134    HA   PHE  83           HA       PHE  83  -1.034  11.833  11.833
  135   1HB   PHE  83          2HB       PHE  83  -2.521  10.732  10.732
  136   2HB   PHE  83          1HB       PHE  83  -2.844  10.316  10.316
  137    HD1  PHE  83           HD1      PHE  83  -0.771   9.162   9.162
  138    HD2  PHE  83           HD2      PHE  83  -3.154   8.130   8.130
  139    HE1  PHE  83           HE1      PHE  83  -0.500   6.774   6.774
  140    HE2  PHE  83           HE2      PHE  83  -2.903   5.736   5.736
  141    HZ   PHE  83           HZ       PHE  83  -1.570   5.055   5.055
  142    H    SER  84           H        SER  84  -1.220  12.346  12.346
  143    HA   SER  84           HA       SER  84   1.459  12.138  12.138
  144   1HB   SER  84          1HB       SER  84  -0.610  13.443  13.443
  145   2HB   SER  84          2HB       SER  84   0.972  14.038  14.038
  146    HG   SER  84           HG       SER  84  -0.195  15.245  15.245
  147    H    VAL  85           H        VAL  85   1.924  11.428  11.428
  148    HA   VAL  85           HA       VAL  85   0.032  10.101  10.101
  149    HB   VAL  85           HB       VAL  85   0.036   8.460   8.460
  150   1HG1  VAL  85          1HG2      VAL  85   2.981   8.210   8.210
  151   2HG1  VAL  85          3HG2      VAL  85   2.060   7.131   7.131
  152   3HG1  VAL  85          2HG2      VAL  85   2.258   8.828   8.828
  153   1HG2  VAL  85          2HG1      VAL  85  -0.249   7.785   7.785
  154   2HG2  VAL  85          1HG1      VAL  85   0.364   6.507   6.507
  155   3HG2  VAL  85          3HG1      VAL  85   1.467   7.364   7.364
  156    H    LYS  86           H        LYS  86   1.013   8.968   8.968
  157    HA   LYS  86           HA       LYS  86   3.776   9.866   9.866
  158   1HB   LYS  86          2HB       LYS  86   1.413   9.649   9.649
  159   2HB   LYS  86          1HB       LYS  86   3.065   9.817   9.817
  160   1HG   LYS  86          1HG       LYS  86   2.531  11.830  11.830
  161   2HG   LYS  86          2HG       LYS  86   1.272  11.849  11.849
  162   1HD   LYS  86          1HD       LYS  86   3.360  11.653  11.653
  163   2HD   LYS  86          2HD       LYS  86   4.187  12.391  12.391
  164   1HE   LYS  86          2HE       LYS  86   1.851  13.866  13.866
  165   2HE   LYS  86          1HE       LYS  86   2.381  13.574  13.574
  166   1HZ   LYS  86          1HZ       LYS  86   4.532  14.337  14.337
  167   2HZ   LYS  86          3HZ       LYS  86   3.320  15.516  15.516
  168   3HZ   LYS  86          2HZ       LYS  86   4.069  14.982  14.982
  169    H    TYR  87           H        TYR  87   4.370   7.775   7.775
  170    HA   TYR  87           HA       TYR  87   3.660   5.281   5.281
  171   1HB   TYR  87          1HB       TYR  87   5.351   6.184   6.184
  172   2HB   TYR  87          2HB       TYR  87   6.468   5.475   5.475
  173    HD1  TYR  87           HD1      TYR  87   3.577   4.769   4.769
  174    HD2  TYR  87           HD2      TYR  87   6.621   3.115   3.115
  175    HE1  TYR  87           HE1      TYR  87   3.066   2.530   2.530
  176    HE2  TYR  87           HE2      TYR  87   6.118   0.871   0.871
  177    HH   TYR  87           HH2      TYR  87   3.343   0.126   0.126
  178    H    LEU  88           H        LEU  88   3.828   4.528   4.528
  179    HA   LEU  88           HA       LEU  88   5.490   5.641   5.641
  180   1HB   LEU  88          1HB       LEU  88   3.675   3.327   3.327
  181   2HB   LEU  88          2HB       LEU  88   4.921   3.190   3.190
  182    HG   LEU  88           HG       LEU  88   4.144   5.315   5.315
  183   1HD1  LEU  88          2HD2      LEU  88   2.957   5.766   5.766
  184   2HD1  LEU  88          1HD2      LEU  88   1.585   5.295   5.295
  185   3HD1  LEU  88          3HD2      LEU  88   2.608   6.648   6.648
  186   1HD2  LEU  88          2HD1      LEU  88   2.280   2.992   2.992
  187   2HD2  LEU  88          1HD1      LEU  88   3.281   3.455   3.455
  188   3HD2  LEU  88          3HD1      LEU  88   1.838   4.388   4.388
  189    H    GLY  89           H        GLY  89   5.851   2.867   2.867
  190   1HA   GLY  89          2HA       GLY  89   8.406   2.707   2.707
  191   2HA   GLY  89          1HA       GLY  89   8.460   2.259   2.259
  192    H    CYS  90           H        CYS  90   8.826   0.147   0.147
  193    HA   CYS  90           HA       CYS  90   6.936  -1.741  -1.741
  194   1HB   CYS  90          1HB       CYS  90   8.610  -2.992  -2.992
  195   2HB   CYS  90          2HB       CYS  90   7.835  -1.564  -1.564
  196    HG   CYS  90           HG       CYS  90  10.078  -0.738  -0.738
  197    H    VAL  91           H        VAL  91   6.961  -3.314  -3.314
  198    HA   VAL  91           HA       VAL  91   9.485  -3.872  -3.872
  199    HB   VAL  91           HB       VAL  91   8.121  -4.579  -4.579
  200   1HG1  VAL  91          3HG1      VAL  91   8.421  -1.895  -1.895
  201   2HG1  VAL  91          2HG1      VAL  91   6.989  -2.027  -2.027
  202   3HG1  VAL  91          1HG1      VAL  91   8.567  -2.500  -2.500
  203   1HG2  VAL  91          2HG2      VAL  91   5.978  -4.225  -4.225
  204   2HG2  VAL  91          1HG2      VAL  91   6.004  -5.138  -5.138
  205   3HG2  VAL  91          3HG2      VAL  91   5.660  -3.409  -3.409
  206    H    GLU  92           H        GLU  92  10.262  -5.883  -5.883
  207    HA   GLU  92           HA       GLU  92   9.236  -7.836  -7.836
  208   1HB   GLU  92          1HB       GLU  92  10.810  -9.389  -9.389
  209   2HB   GLU  92          2HB       GLU  92  11.532  -7.970  -7.970
  210   1HG   GLU  92          1HG       GLU  92  10.818  -7.162  -7.162
  211   2HG   GLU  92          2HG       GLU  92  11.500  -8.778  -8.778
  212    H    VAL  93           H        VAL  93   8.366  -9.940  -9.940
  213    HA   VAL  93           HA       VAL  93   7.161 -10.350 -10.350
  214    HB   VAL  93           HB       VAL  93   4.905 -10.769 -10.769
  215   1HG1  VAL  93          1HG1      VAL  93   5.824  -8.538  -8.538
  216   2HG1  VAL  93          3HG1      VAL  93   5.560  -7.926  -7.926
  217   3HG1  VAL  93          2HG1      VAL  93   4.215  -8.608  -8.608
  218   1HG2  VAL  93          3HG2      VAL  93   5.828 -10.970 -10.970
  219   2HG2  VAL  93          2HG2      VAL  93   4.322 -10.073 -10.073
  220   3HG2  VAL  93          1HG2      VAL  93   5.841  -9.207  -9.207
  221    H    PHE  94           H        PHE  94   5.728 -12.460 -12.460
  222    HA   PHE  94           HA       PHE  94   7.468 -14.469 -14.469
  223   1HB   PHE  94          2HB       PHE  94   5.491 -14.452 -14.452
  224   2HB   PHE  94          1HB       PHE  94   5.765 -15.972 -15.972
  225    HD1  PHE  94           HD2      PHE  94   8.432 -13.496 -13.496
  226    HD2  PHE  94           HD1      PHE  94   6.680 -17.063 -17.063
  227    HE1  PHE  94           HE2      PHE  94  10.439 -13.894 -13.894
  228    HE2  PHE  94           HE1      PHE  94   8.682 -17.467 -17.467
  229    HZ   PHE  94           HZ       PHE  94  10.566 -15.882 -15.882
  230    H    GLU  95           H        GLU  95   4.565 -12.890 -12.890
  231    HA   GLU  95           HA       GLU  95   3.892 -14.989 -14.989
  232   1HB   GLU  95          1HB       GLU  95   2.160 -13.792 -13.792
  233   2HB   GLU  95          2HB       GLU  95   1.449 -13.910 -13.910
  234   1HG   GLU  95          2HG       GLU  95   2.690 -16.222 -16.222
  235   2HG   GLU  95          1HG       GLU  95   0.967 -15.840 -15.840
  236    H    SER  96           H        SER  96   3.452 -14.286 -14.286
  237    HA   SER  96           HA       SER  96   3.620 -11.392 -11.392
  238   1HB   SER  96          1HB       SER  96   3.904 -12.274 -12.274
  239   2HB   SER  96          2HB       SER  96   5.258 -12.354 -12.354
  240    HG   SER  96           HG       SER  96   5.216 -14.378 -14.378
  241    H    ARG  97           H        ARG  97   1.196 -12.983 -12.983
  242    HA   ARG  97           HA       ARG  97  -0.602 -11.836 -11.836
  243   1HB   ARG  97          1HB       ARG  97   0.005 -14.443 -14.443
  244   2HB   ARG  97          2HB       ARG  97  -1.305 -14.587 -14.587
  245   1HG   ARG  97          1HG       ARG  97  -2.623 -14.592 -14.592
  246   2HG   ARG  97          2HG       ARG  97  -2.367 -12.847 -12.847
  247   1HD   ARG  97          2HD       ARG  97  -1.956 -13.642 -13.642
  248   2HD   ARG  97          1HD       ARG  97  -0.407 -13.197 -13.197
  249    HE   ARG  97           HE       ARG  97   0.241 -15.399 -15.399
  250   1HH1  ARG  97          2HH1      ARG  97  -3.177 -15.161 -15.161
  251   2HH1  ARG  97          1HH1      ARG  97  -3.333 -16.812 -16.812
  252   1HH2  ARG  97          2HH2      ARG  97   0.048 -17.575 -17.575
  253   2HH2  ARG  97          1HH2      ARG  97  -1.500 -18.185 -18.185
  254    H    GLY  98           H        GLY  98  -2.983 -12.836 -12.836
  255   1HA   GLY  98          1HA       GLY  98  -4.533 -12.680 -12.680
  256   2HA   GLY  98          2HA       GLY  98  -3.208 -12.810 -12.810
  257    H    MET  99           H        MET  99  -5.559 -10.790 -10.790
  258    HA   MET  99           HA       MET  99  -4.485  -8.257  -8.257
  259   1HB   MET  99          2HB       MET  99  -6.917  -9.097  -9.097
  260   2HB   MET  99          1HB       MET  99  -7.175  -8.749  -8.749
  261   1HG   MET  99          1HG       MET  99  -5.921  -6.481  -6.481
  262   2HG   MET  99          2HG       MET  99  -7.016  -6.951  -6.951
  263   1HE   MET  99          3HE       MET  99  -6.723  -4.480  -4.480
  264   2HE   MET  99          2HE       MET  99  -8.108  -4.362  -4.362
  265   3HE   MET  99          1HE       MET  99  -6.788  -5.469  -5.469
  266    H    GLN 100           H        GLN 100  -5.189 -10.357 -10.357
  267    HA   GLN 100           HA       GLN 100  -5.242  -8.477  -8.477
  268   1HB   GLN 100          1HB       GLN 100  -4.191 -11.308 -11.308
  269   2HB   GLN 100          2HB       GLN 100  -4.802 -10.339 -10.339
  270   1HG   GLN 100          2HG       GLN 100  -6.966 -10.270 -10.270
  271   2HG   GLN 100          1HG       GLN 100  -6.271 -11.767 -11.767
  272   1HE2  GLN 100          2HE2      GLN 100  -7.287 -11.632 -11.632
  273   2HE2  GLN 100          1HE2      GLN 100  -6.652 -10.232 -10.232
  274    H    VAL 101           H        VAL 101  -2.539 -10.293 -10.293
  275    HA   VAL 101           HA       VAL 101  -0.497  -9.526  -9.526
  276    HB   VAL 101           HB       VAL 101  -0.243  -9.777  -9.777
  277   1HG1  VAL 101          3HG1      VAL 101   1.642  -8.959  -8.959
  278   2HG1  VAL 101          2HG1      VAL 101   1.907 -10.704 -10.704
  279   3HG1  VAL 101          1HG1      VAL 101   1.991  -9.804  -9.804
  280   1HG2  VAL 101          1HG2      VAL 101  -0.430 -11.843 -11.843
  281   2HG2  VAL 101          3HG2      VAL 101  -1.278 -11.769 -11.769
  282   3HG2  VAL 101          2HG2      VAL 101   0.439 -12.170 -12.170
  283    H    CYS 102           H        CYS 102  -2.079  -7.695  -7.695
  284    HA   CYS 102           HA       CYS 102  -0.162  -5.573  -5.573
  285   1HB   CYS 102          1HB       CYS 102  -2.709  -6.200  -6.200
  286   2HB   CYS 102          2HB       CYS 102  -2.500  -4.484  -4.484
  287    HG   CYS 102           HG       CYS 102  -0.245  -5.916  -5.916
  288    H    GLU 103           H        GLU 103  -3.299  -6.077  -6.077
  289    HA   GLU 103           HA       GLU 103  -3.657  -3.550  -3.550
  290   1HB   GLU 103          2HB       GLU 103  -4.640  -6.268  -6.268
  291   2HB   GLU 103          1HB       GLU 103  -4.653  -5.200  -5.200
  292   1HG   GLU 103          1HG       GLU 103  -5.772  -3.558  -3.558
  293   2HG   GLU 103          2HG       GLU 103  -6.245  -5.096  -5.096
  294    H    GLU 104           H        GLU 104  -1.890  -6.348  -6.348
  295    HA   GLU 104           HA       GLU 104  -1.033  -4.975  -4.975
  296   1HB   GLU 104          1HB       GLU 104   0.309  -6.959  -6.959
  297   2HB   GLU 104          2HB       GLU 104  -1.313  -7.427  -7.427
  298   1HG   GLU 104          1HG       GLU 104  -0.412  -7.747  -7.747
  299   2HG   GLU 104          2HG       GLU 104   1.201  -7.521  -7.521
  300    H    ALA 105           H        ALA 105   0.334  -5.703  -5.703
  301    HA   ALA 105           HA       ALA 105   2.979  -4.951  -4.951
  302   1HB   ALA 105          1HB       ALA 105   1.218  -4.808  -4.808
  303   2HB   ALA 105          3HB       ALA 105   2.913  -4.319  -4.319
  304   3HB   ALA 105          2HB       ALA 105   2.483  -5.978  -5.978
  305    H    LEU 106           H        LEU 106   0.168  -2.982  -2.982
  306    HA   LEU 106           HA       LEU 106   1.447  -0.519  -0.519
  307   1HB   LEU 106          1HB       LEU 106  -0.924  -1.028  -1.028
  308   2HB   LEU 106          2HB       LEU 106  -1.314  -1.017  -1.017
  309    HG   LEU 106           HG       LEU 106  -0.393   1.393   1.393
  310   1HD1  LEU 106          3HD2      LEU 106  -0.865   0.964   0.964
  311   2HD1  LEU 106          2HD2      LEU 106  -0.623   2.530   2.530
  312   3HD1  LEU 106          1HD2      LEU 106   0.675   1.335   1.335
  313   1HD2  LEU 106          1HD1      LEU 106  -2.814   0.572   0.572
  314   2HD2  LEU 106          3HD1      LEU 106  -2.535   2.241   2.241
  315   3HD2  LEU 106          2HD1      LEU 106  -2.910   1.009   1.009
  316    H    LYS 107           H        LYS 107   0.159  -2.119  -2.119
  317    HA   LYS 107           HA       LYS 107   0.576  -0.045  -0.045
  318   1HB   LYS 107          2HB       LYS 107  -0.783  -1.846  -1.846
  319   2HB   LYS 107          1HB       LYS 107   0.421  -3.042  -3.042
  320   1HG   LYS 107          2HG       LYS 107   1.107  -1.092  -1.092
  321   2HG   LYS 107          1HG       LYS 107  -0.015  -2.402  -2.402
  322   1HD   LYS 107          2HD       LYS 107   2.380  -3.248  -3.248
  323   2HD   LYS 107          1HD       LYS 107   2.704  -2.586  -2.586
  324   1HE   LYS 107          2HE       LYS 107   2.399  -4.903  -4.903
  325   2HE   LYS 107          1HE       LYS 107   0.904  -4.144  -4.144
  326   1HZ   LYS 107          1HZ       LYS 107  -0.097  -4.685  -4.685
  327   2HZ   LYS 107          3HZ       LYS 107   1.333  -5.443  -5.443
  328   3HZ   LYS 107          2HZ       LYS 107   0.441  -6.079  -6.079
  329    H    VAL 108           H        VAL 108   2.673  -2.664  -2.664
  330    HA   VAL 108           HA       VAL 108   4.815  -2.128  -2.128
  331    HB   VAL 108           HB       VAL 108   5.257  -3.308  -3.308
  332   1HG1  VAL 108          3HG1      VAL 108   6.403  -3.763  -3.763
  333   2HG1  VAL 108          2HG1      VAL 108   6.767  -4.783  -4.783
  334   3HG1  VAL 108          1HG1      VAL 108   7.213  -3.076  -3.076
  335   1HG2  VAL 108          2HG2      VAL 108   3.575  -4.405  -4.405
  336   2HG2  VAL 108          1HG2      VAL 108   3.457  -4.630  -4.630
  337   3HG2  VAL 108          3HG2      VAL 108   4.672  -5.515  -5.515
  338    H    LEU 109           H        LEU 109   4.065  -1.019  -1.019
  339    HA   LEU 109           HA       LEU 109   6.430   0.234   0.234
  340   1HB   LEU 109          1HB       LEU 109   3.591   0.571   0.571
  341   2HB   LEU 109          2HB       LEU 109   4.611   1.962   1.962
  342    HG   LEU 109           HG       LEU 109   4.573   0.726   0.726
  343   1HD1  LEU 109          3HD2      LEU 109   6.933   1.178   1.178
  344   2HD1  LEU 109          2HD2      LEU 109   7.084  -0.491  -0.491
  345   3HD1  LEU 109          1HD2      LEU 109   6.769   0.795   0.795
  346   1HD2  LEU 109          1HD1      LEU 109   4.904  -1.660  -1.660
  347   2HD2  LEU 109          3HD1      LEU 109   3.681  -1.346  -1.346
  348   3HD2  LEU 109          2HD1      LEU 109   5.334  -1.733  -1.733
  349    H    ARG 110           H        ARG 110   4.115   1.145   1.145
  350    HA   ARG 110           HA       ARG 110   5.187   3.847   3.847
  351   1HB   ARG 110          2HB       ARG 110   2.693   2.599   2.599
  352   2HB   ARG 110          1HB       ARG 110   3.340   3.281   3.281
  353   1HG   ARG 110          1HG       ARG 110   3.731   5.396   5.396
  354   2HG   ARG 110          2HG       ARG 110   2.507   4.653   4.653
  355   1HD   ARG 110          2HD       ARG 110   1.385   6.130   6.130
  356   2HD   ARG 110          1HD       ARG 110   1.032   4.480   4.480
  357    HE   ARG 110           HE       ARG 110   3.204   5.210   5.210
  358   1HH1  ARG 110          2HH1      ARG 110   0.019   6.520   6.520
  359   2HH1  ARG 110          1HH1      ARG 110  -0.088   7.226   7.226
  360   1HH2  ARG 110          1HH2      ARG 110   3.075   6.133   6.133
  361   2HH2  ARG 110          2HH2      ARG 110   1.650   7.004   7.004
  362    H    GLN 111           H        GLN 111   4.782   0.991   0.991
  363    HA   GLN 111           HA       GLN 111   6.174   2.069   2.069
  364   1HB   GLN 111          2HB       GLN 111   6.200  -0.195  -0.195
  365   2HB   GLN 111          1HB       GLN 111   4.631   0.156   0.156
  366   1HG   GLN 111          2HG       GLN 111   4.805  -1.668  -1.668
  367   2HG   GLN 111          1HG       GLN 111   6.203  -0.968  -0.968
  368   1HE2  GLN 111          2HE2      GLN 111   6.620  -4.070  -4.070
  369   2HE2  GLN 111          1HE2      GLN 111   5.089  -3.401  -3.401
  370    H    SER 112           H        SER 112   7.279   0.657   0.657
  371    HA   SER 112           HA       SER 112   9.920   0.068   0.068
  372   1HB   SER 112          1HB       SER 112   8.405  -0.894  -0.894
  373   2HB   SER 112          2HB       SER 112   9.751  -0.029  -0.029
  374    HG   SER 112           HG       SER 112  10.964  -1.641  -1.641
  375    H    ARG 113           H        ARG 113  11.844   0.878   0.878
  376    HA   ARG 113           HA       ARG 113  12.051   3.645   3.645
  377   1HB   ARG 113          2HB       ARG 113  14.143   3.300   3.300
  378   2HB   ARG 113          1HB       ARG 113  14.062   2.414   2.414
  379   1HG   ARG 113          2HG       ARG 113  14.414   0.530   0.530
  380   2HG   ARG 113          1HG       ARG 113  12.907   0.773   0.773
  381   1HD   ARG 113          2HD       ARG 113  14.362   0.681   0.681
  382   2HD   ARG 113          1HD       ARG 113  14.414   2.411   2.411
  383    HE   ARG 113           HE       ARG 113  16.400   0.885   0.885
  384   1HH1  ARG 113          1HH1      ARG 113  15.634   2.571   2.571
  385   2HH1  ARG 113          2HH1      ARG 113  17.289   2.863   2.863
  386   1HH2  ARG 113          2HH2      ARG 113  18.584   1.263   1.263
  387   2HH2  ARG 113          1HH2      ARG 113  18.966   2.119   2.119
  388    H    ARG 114           H        ARG 114  10.782   1.670   1.670
  389    HA   ARG 114           HA       ARG 114  11.154   2.970   2.970
  390   1HB   ARG 114          2HB       ARG 114   8.566   1.876   1.876
  391   2HB   ARG 114          1HB       ARG 114   8.787   2.334   2.334
  392   1HG   ARG 114          2HG       ARG 114  10.557   0.318   0.318
  393   2HG   ARG 114          1HG       ARG 114   9.025  -0.129  -0.129
  394   1HD   ARG 114          1HD       ARG 114  10.258  -0.386  -0.386
  395   2HD   ARG 114          2HD       ARG 114  10.175   1.371   1.371
  396    HE   ARG 114           HE       ARG 114  12.361   0.619   0.619
  397   1HH1  ARG 114          1HH2      ARG 114  11.314   0.620   0.620
  398   2HH1  ARG 114          2HH2      ARG 114  12.920   0.718   0.718
  399   1HH2  ARG 114          2HH1      ARG 114  14.480   0.748   0.748
  400   2HH2  ARG 114          1HH1      ARG 114  14.720   0.790   0.790
  401    H    ARG 115           H        ARG 115  11.115   5.057   5.057
  402    HA   ARG 115           HA       ARG 115   9.217   6.820   6.820
  403   1HB   ARG 115          1HB       ARG 115  10.657   8.649   8.649
  404   2HB   ARG 115          2HB       ARG 115  11.652   7.366   7.366
  405   1HG   ARG 115          2HG       ARG 115  11.623   6.889   6.889
  406   2HG   ARG 115          1HG       ARG 115  11.793   8.638   8.638
  407   1HD   ARG 115          2HD       ARG 115  13.479   7.382   7.382
  408   2HD   ARG 115          1HD       ARG 115  13.763   6.628   6.628
  409    HE   ARG 115           HE       ARG 115  13.752   9.357   9.357
  410   1HH1  ARG 115          1HH1      ARG 115  15.609   7.066   7.066
  411   2HH1  ARG 115          2HH1      ARG 115  17.072   7.990   7.990
  412   1HH2  ARG 115          2HH2      ARG 115  15.672  10.581  10.581
  413   2HH2  ARG 115          1HH2      ARG 115  17.108   9.989   9.989
  414    HA   PRO 116           HA       PRO 116   6.647   7.173   7.173
  415   1HB   PRO 116          2HB       PRO 116   6.278   9.992   9.992
  416   2HB   PRO 116          1HB       PRO 116   5.070   8.735   8.735
  417   1HG   PRO 116          1HG       PRO 116   5.698   9.506   9.506
  418   2HG   PRO 116          2HG       PRO 116   5.351   7.807   7.807
  419   1HD   PRO 116          1HD       PRO 116   7.979   9.152   9.152
  420   2HD   PRO 116          2HD       PRO 116   7.435   7.534   7.534
  421    H    VAL 117           H        VAL 117   6.572   8.122   8.122
  422    HA   VAL 117           HA       VAL 117   8.890   9.815   9.815
  423    HB   VAL 117           HB       VAL 117   8.694   7.459   7.459
  424   1HG1  VAL 117          1HG2      VAL 117   6.231   7.962   7.962
  425   2HG1  VAL 117          3HG2      VAL 117   6.942   8.768   8.768
  426   3HG1  VAL 117          2HG2      VAL 117   7.249   7.056   7.056
  427   1HG2  VAL 117          2HG1      VAL 117   9.861   9.802   9.802
  428   2HG2  VAL 117          1HG1      VAL 117  10.181   8.193   8.193
  429   3HG2  VAL 117          3HG1      VAL 117   9.003   9.242   9.242
  430    H    ARG 118           H        ARG 118   8.468  11.156  11.156
  431    HA   ARG 118           HA       ARG 118   5.702  12.110  12.110
  432   1HB   ARG 118          2HB       ARG 118   7.034  13.556  13.556
  433   2HB   ARG 118          1HB       ARG 118   8.068  13.977  13.977
  434   1HG   ARG 118          2HG       ARG 118   5.603  14.524  14.524
  435   2HG   ARG 118          1HG       ARG 118   5.392  14.930  14.930
  436   1HD   ARG 118          1HD       ARG 118   7.117  16.523  16.523
  437   2HD   ARG 118          2HD       ARG 118   7.743  15.914  15.914
  438    HE   ARG 118           HE       ARG 118   6.280  17.290  17.290
  439   1HH1  ARG 118          1HH1      ARG 118   5.135  16.777  16.777
  440   2HH1  ARG 118          2HH1      ARG 118   3.820  17.896  17.896
  441   1HH2  ARG 118          1HH2      ARG 118   4.554  18.766  18.766
  442   2HH2  ARG 118          2HH2      ARG 118   3.491  19.027  19.027
  443    H    GLY 119           H        GLY 119   5.536  11.099  11.099
  444   1HA   GLY 119          2HA       GLY 119   6.702  12.662  12.662
  445   2HA   GLY 119          1HA       GLY 119   7.144  10.963  10.963
  446    H    LEU 120           H        LEU 120   6.153  10.561  10.561
  447    HA   LEU 120           HA       LEU 120   3.206  10.597  10.597
  448   1HB   LEU 120          2HB       LEU 120   5.077  11.055  11.055
  449   2HB   LEU 120          1HB       LEU 120   3.375  10.699  10.699
  450    HG   LEU 120           HG       LEU 120   4.124  13.006  13.006
  451   1HD1  LEU 120          2HD1      LEU 120   4.314  12.922  12.922
  452   2HD1  LEU 120          1HD1      LEU 120   4.079  14.418  14.418
  453   3HD1  LEU 120          3HD1      LEU 120   5.535  13.455  13.455
  454   1HD2  LEU 120          3HD2      LEU 120   1.812  12.053  12.053
  455   2HD2  LEU 120          2HD2      LEU 120   1.863  12.894  12.894
  456   3HD2  LEU 120          1HD2      LEU 120   2.070  13.797  13.797
  457    H    LEU 121           H        LEU 121   2.119   8.881   8.881
  458    HA   LEU 121           HA       LEU 121   3.709   6.423   6.423
  459   1HB   LEU 121          1HB       LEU 121   1.393   6.852   6.852
  460   2HB   LEU 121          2HB       LEU 121   0.773   6.238   6.238
  461    HG   LEU 121           HG       LEU 121   2.755   4.828   4.828
  462   1HD1  LEU 121          3HD2      LEU 121   0.283   5.026   5.026
  463   2HD1  LEU 121          2HD2      LEU 121  -0.024   3.916   3.916
  464   3HD1  LEU 121          1HD2      LEU 121   1.030   3.430   3.430
  465   1HD2  LEU 121          1HD1      LEU 121   2.604   4.548   4.548
  466   2HD2  LEU 121          3HD1      LEU 121   3.051   3.250   3.250
  467   3HD2  LEU 121          2HD1      LEU 121   1.390   3.376   3.376
  468    H    HIS 122           H        HIS 122   4.387   6.168   6.168
  469    HA   HIS 122           HA       HIS 122   3.063   7.317   7.317
  470   1HB   HIS 122          2HB       HIS 122   5.412   5.475   5.475
  471   2HB   HIS 122          1HB       HIS 122   4.763   5.806   5.806
  472    HD1  HIS 122           HD1      HIS 122   5.394   8.036   8.036
  473    HD2  HIS 122           HD2      HIS 122   6.503   7.747   7.747
  474    HE1  HIS 122           HE1      HIS 122   6.855  10.045  10.045
  475    H    VAL 123           H        VAL 123   0.994   6.141   6.141
  476    HA   VAL 123           HA       VAL 123   0.677   3.388   3.388
  477    HB   VAL 123           HB       VAL 123  -1.370   5.599   5.599
  478   1HG1  VAL 123          3HG1      VAL 123  -1.655   2.822   2.822
  479   2HG1  VAL 123          2HG1      VAL 123  -2.684   3.247   3.247
  480   3HG1  VAL 123          1HG1      VAL 123  -2.786   4.168   4.168
  481   1HG2  VAL 123          2HG2      VAL 123  -0.146   3.670   3.670
  482   2HG2  VAL 123          1HG2      VAL 123  -0.528   5.379   5.379
  483   3HG2  VAL 123          3HG2      VAL 123  -1.818   4.176   4.176
  484    H    SER 124           H        SER 124   1.065   2.621   2.621
  485    HA   SER 124           HA       SER 124  -0.301   3.922   3.922
  486   1HB   SER 124          1HB       SER 124   2.398   2.627   2.627
  487   2HB   SER 124          2HB       SER 124   1.582   3.769   3.769
  488    HG   SER 124           HG       SER 124   2.804   4.276   4.276
  489    H    GLY 125           H        GLY 125  -1.075   1.664   1.664
  490   1HA   GLY 125          2HA       GLY 125  -1.799  -0.509  -0.509
  491   2HA   GLY 125          1HA       GLY 125  -2.111  -0.071  -0.071
  492    H    ASP 126           H        ASP 126   1.100  -0.077  -0.077
  493    HA   ASP 126           HA       ASP 126   1.694  -2.653  -2.653
  494   1HB   ASP 126          1HB       ASP 126   2.150  -0.664  -0.664
  495   2HB   ASP 126          2HB       ASP 126   3.484  -0.282  -0.282
  496    H    GLY 127           H        GLY 127   2.894   0.041   0.041
  497   1HA   GLY 127          2HA       GLY 127   3.989  -1.849  -1.849
  498   2HA   GLY 127          1HA       GLY 127   5.202  -0.915  -0.915
  499    H    LEU 128           H        LEU 128   3.590  -1.076  -1.076
  500    HA   LEU 128           HA       LEU 128   2.886   1.656   1.656
  501   1HB   LEU 128          2HB       LEU 128   3.196  -0.785  -0.785
  502   2HB   LEU 128          1HB       LEU 128   3.089   0.782   0.782
  503    HG   LEU 128           HG       LEU 128   0.863   0.958   0.958
  504   1HD1  LEU 128          2HD2      LEU 128   1.354  -0.349  -0.349
  505   2HD1  LEU 128          1HD2      LEU 128  -0.277  -0.119  -0.119
  506   3HD1  LEU 128          3HD2      LEU 128   0.762   1.276   1.276
  507   1HD2  LEU 128          2HD1      LEU 128   1.665  -1.744  -1.744
  508   2HD2  LEU 128          1HD1      LEU 128   0.213  -0.929  -0.929
  509   3HD2  LEU 128          3HD1      LEU 128   0.211  -1.714  -1.714
  510    H    ARG 129           H        ARG 129   4.806   2.739   2.739
  511    HA   ARG 129           HA       ARG 129   7.193   2.348   2.348
  512   1HB   ARG 129          1HB       ARG 129   6.834   4.191   4.191
  513   2HB   ARG 129          2HB       ARG 129   8.350   3.688   3.688
  514   1HG   ARG 129          1HG       ARG 129   7.630   1.304   1.304
  515   2HG   ARG 129          2HG       ARG 129   6.469   2.102   2.102
  516   1HD   ARG 129          1HD       ARG 129   8.385   3.378   3.378
  517   2HD   ARG 129          2HD       ARG 129   9.471   2.357   2.357
  518    HE   ARG 129           HE       ARG 129   9.091   0.638   0.638
  519   1HH1  ARG 129          1HH1      ARG 129   6.748   3.159   3.159
  520   2HH1  ARG 129          2HH1      ARG 129   6.133   2.458   2.458
  521   1HH2  ARG 129          1HH2      ARG 129   8.289  -0.293  -0.293
  522   2HH2  ARG 129          2HH2      ARG 129   7.010   0.496   0.496
  523    H    VAL 130           H        VAL 130   6.294   3.231   3.231
  524    HA   VAL 130           HA       VAL 130   5.426   5.961   5.961
  525    HB   VAL 130           HB       VAL 130   4.538   4.563   4.563
  526   1HG1  VAL 130          2HG2      VAL 130   7.349   3.632   3.632
  527   2HG1  VAL 130          1HG2      VAL 130   6.213   3.486   3.486
  528   3HG1  VAL 130          3HG2      VAL 130   5.865   2.698   2.698
  529   1HG2  VAL 130          1HG1      VAL 130   5.743   6.885   6.885
  530   2HG2  VAL 130          3HG1      VAL 130   4.784   5.914   5.914
  531   3HG2  VAL 130          2HG1      VAL 130   6.545   5.778   5.778
  532    H    VAL 131           H        VAL 131   7.089   7.151   7.151
  533    HA   VAL 131           HA       VAL 131   9.790   6.995   6.995
  534    HB   VAL 131           HB       VAL 131   8.471   9.092   9.092
  535   1HG1  VAL 131          1HG1      VAL 131  11.316   8.621   8.621
  536   2HG1  VAL 131          3HG1      VAL 131  10.928   9.406   9.406
  537   3HG1  VAL 131          2HG1      VAL 131  10.395  10.125  10.125
  538   1HG2  VAL 131          3HG2      VAL 131   9.422   6.400   6.400
  539   2HG2  VAL 131          2HG2      VAL 131   8.429   7.467   7.467
  540   3HG2  VAL 131          1HG2      VAL 131  10.186   7.610   7.610
  541    H    ASP 132           H        ASP 132  10.953   8.731   8.731
  542    HA   ASP 132           HA       ASP 132   9.313  10.170  10.170
  543   1HB   ASP 132          1HB       ASP 132  12.023  10.513  10.513
  544   2HB   ASP 132          2HB       ASP 132  10.856   9.476   9.476
  545    H    ASP 133           H        ASP 133   8.991  12.283  12.283
  546    HA   ASP 133           HA       ASP 133  10.308  13.721  13.721
  547   1HB   ASP 133          1HB       ASP 133   8.185  14.419  14.419
  548   2HB   ASP 133          2HB       ASP 133   8.920  15.667  15.667
  549    H    GLU 134           H        GLU 134  11.391  12.971  12.971
  550    HA   GLU 134           HA       GLU 134  12.715  15.560  15.560
  551   1HB   GLU 134          1HB       GLU 134  11.434  14.470  14.470
  552   2HB   GLU 134          2HB       GLU 134  12.705  13.254  13.254
  553   1HG   GLU 134          2HG       GLU 134  14.359  14.968  14.968
  554   2HG   GLU 134          1HG       GLU 134  13.111  16.211  16.211
  555    H    THR 135           H        THR 135  13.265  12.163  12.163
  556    HA   THR 135           HA       THR 135  16.140  12.728  12.728
  557    HB   THR 135           HB       THR 135  16.550  10.351  10.351
  558    HG1  THR 135          1HG       THR 135  14.939   9.033   9.033
  559   1HG2  THR 135          3HG2      THR 135  15.579  12.284  12.284
  560   2HG2  THR 135          2HG2      THR 135  15.171  10.647  10.647
  561   3HG2  THR 135          1HG2      THR 135  16.849  11.073  11.073
  562    H    LYS 136           H        LYS 136  13.324  11.050  11.050
  563    HA   LYS 136           HA       LYS 136  12.799  10.351  10.351
  564   1HB   LYS 136          2HB       LYS 136  14.334  12.588  12.588
  565   2HB   LYS 136          1HB       LYS 136  15.205  11.375  11.375
  566   1HG   LYS 136          1HG       LYS 136  13.760  12.174  12.174
  567   2HG   LYS 136          2HG       LYS 136  12.825  10.822  10.822
  568   1HD   LYS 136          2HD       LYS 136  11.492  12.268  12.268
  569   2HD   LYS 136          1HD       LYS 136  12.553  13.641  13.641
  570   1HE   LYS 136          2HE       LYS 136  11.373  14.176  14.176
  571   2HE   LYS 136          1HE       LYS 136  11.650  12.575  12.575
  572   1HZ   LYS 136          3HZ       LYS 136   9.700  12.382  12.382
  573   2HZ   LYS 136          2HZ       LYS 136   9.261  13.634  13.634
  574   3HZ   LYS 136          1HZ       LYS 136   9.538  12.078  12.078
  575    H    GLY 137           H        GLY 137  14.072   8.567   8.567
  576   1HA   GLY 137          1HA       GLY 137  15.973   7.186   7.186
  577   2HA   GLY 137          2HA       GLY 137  15.896   6.972   6.972
  578    H    LEU 138           H        LEU 138  12.915   7.149   7.149
  579    HA   LEU 138           HA       LEU 138  11.176   5.683   5.683
  580   1HB   LEU 138          1HB       LEU 138  12.107   5.241   5.241
  581   2HB   LEU 138          2HB       LEU 138  13.419   4.310   4.310
  582    HG   LEU 138           HG       LEU 138  11.996   2.452   2.452
  583   1HD1  LEU 138          2HD1      LEU 138   9.689   4.269   4.269
  584   2HD1  LEU 138          1HD1      LEU 138   9.563   2.538   2.538
  585   3HD1  LEU 138          3HD1      LEU 138  10.088   3.637   3.637
  586   1HD2  LEU 138          1HD2      LEU 138  12.671   2.851   2.851
  587   2HD2  LEU 138          3HD2      LEU 138  11.235   1.848   1.848
  588   3HD2  LEU 138          2HD2      LEU 138  11.068   3.538   3.538
  589    H    ILE 139           H        ILE 139  10.427   4.899   4.899
  590    HA   ILE 139           HA       ILE 139  11.931   3.239   3.239
  591    HB   ILE 139           HB       ILE 139   8.952   3.685   3.685
  592   1HG1  ILE 139          2HG1      ILE 139  11.151   5.336   5.336
  593   2HG1  ILE 139          1HG1      ILE 139  10.225   5.818   5.818
  594   1HG2  ILE 139          3HG2      ILE 139  10.977   2.855   2.855
  595   2HG2  ILE 139          2HG2      ILE 139   9.346   3.394   3.394
  596   3HG2  ILE 139          1HG2      ILE 139   9.581   1.946   1.946
  597   1HD1  ILE 139          2HD1      ILE 139   8.169   5.585   5.585
  598   2HD1  ILE 139          1HD1      ILE 139   9.302   5.548   5.548
  599   3HD1  ILE 139          3HD1      ILE 139   9.242   6.957   6.957
  600    H    VAL 140           H        VAL 140   8.889   2.517   2.517
  601    HA   VAL 140           HA       VAL 140   9.620  -0.325  -0.325
  602    HB   VAL 140           HB       VAL 140   6.916   0.839   0.839
  603   1HG1  VAL 140          3HG1      VAL 140   7.620  -1.526  -1.526
  604   2HG1  VAL 140          2HG1      VAL 140   7.466  -1.953  -1.953
  605   3HG1  VAL 140          1HG1      VAL 140   6.073  -1.324  -1.324
  606   1HG2  VAL 140          2HG2      VAL 140   7.749   1.323   1.323
  607   2HG2  VAL 140          1HG2      VAL 140   6.239   0.417   0.417
  608   3HG2  VAL 140          3HG2      VAL 140   7.747  -0.419  -0.419
  609    H    ASP 141           H        ASP 141  10.916  -0.657  -0.657
  610    HA   ASP 141           HA       ASP 141   9.942   0.185   0.185
  611   1HB   ASP 141          2HB       ASP 141  12.299   0.697   0.697
  612   2HB   ASP 141          1HB       ASP 141  12.613  -1.033  -1.033
  613    H    GLN 142           H        GLN 142   8.213  -1.494  -1.494
  614    HA   GLN 142           HA       GLN 142   9.163  -4.032  -4.032
  615   1HB   GLN 142          1HB       GLN 142   8.189  -3.731  -3.731
  616   2HB   GLN 142          2HB       GLN 142   6.881  -4.473  -4.473
  617   1HG   GLN 142          2HG       GLN 142   9.379  -5.734  -5.734
  618   2HG   GLN 142          1HG       GLN 142   9.121  -5.722  -5.722
  619   1HE2  GLN 142          1HE2      GLN 142   7.328  -8.660  -8.660
  620   2HE2  GLN 142          2HE2      GLN 142   8.727  -7.879  -7.879
  621    H    THR 143           H        THR 143   7.198  -5.369  -5.369
  622    HA   THR 143           HA       THR 143   5.564  -3.620  -3.620
  623    HB   THR 143           HB       THR 143   5.740  -6.633  -6.633
  624    HG1  THR 143          1HG       THR 143   7.281  -4.723  -4.723
  625   1HG2  THR 143          2HG2      THR 143   3.972  -5.111  -5.111
  626   2HG2  THR 143          1HG2      THR 143   5.316  -5.060  -5.060
  627   3HG2  THR 143          3HG2      THR 143   4.636  -6.611  -6.611
  628    H    ILE 144           H        ILE 144   3.301  -3.734  -3.734
  629    HA   ILE 144           HA       ILE 144   2.073  -4.375  -4.375
  630    HB   ILE 144           HB       ILE 144   1.497  -2.342  -2.342
  631   1HG1  ILE 144          1HG1      ILE 144  -0.913  -4.107  -4.107
  632   2HG1  ILE 144          2HG1      ILE 144   0.026  -3.437  -3.437
  633   1HG2  ILE 144          2HG2      ILE 144   1.453  -3.638  -3.638
  634   2HG2  ILE 144          1HG2      ILE 144  -0.173  -4.136  -4.136
  635   3HG2  ILE 144          3HG2      ILE 144   0.197  -2.425  -2.425
  636   1HD1  ILE 144          1HD1      ILE 144  -0.462  -1.215  -1.215
  637   2HD1  ILE 144          3HD1      ILE 144  -1.924  -2.158  -2.158
  638   3HD1  ILE 144          2HD1      ILE 144  -1.441  -1.760  -1.760
  639    H    GLU 145           H        GLU 145   2.450  -5.971  -5.971
  640    HA   GLU 145           HA       GLU 145   0.136  -7.672  -7.672
  641   1HB   GLU 145          1HB       GLU 145   2.365  -8.227  -8.227
  642   2HB   GLU 145          2HB       GLU 145   0.643  -8.530  -8.530
  643   1HG   GLU 145          2HG       GLU 145   0.869  -5.764  -5.764
  644   2HG   GLU 145          1HG       GLU 145   2.199  -6.245  -6.245
  645    H    LYS 146           H        LYS 146   3.613  -7.863  -7.863
  646    HA   LYS 146           HA       LYS 146   3.515 -10.680 -10.680
  647   1HB   LYS 146          2HB       LYS 146   5.465  -9.511  -9.511
  648   2HB   LYS 146          1HB       LYS 146   5.832  -8.793  -8.793
  649   1HG   LYS 146          2HG       LYS 146   6.968 -10.597 -10.597
  650   2HG   LYS 146          1HG       LYS 146   5.522 -11.588 -11.588
  651   1HD   LYS 146          1HD       LYS 146   6.579 -12.600 -12.600
  652   2HD   LYS 146          2HD       LYS 146   6.385 -11.101 -11.101
  653   1HE   LYS 146          2HE       LYS 146   8.558 -10.436 -10.436
  654   2HE   LYS 146          1HE       LYS 146   8.769 -12.186 -12.186
  655   1HZ   LYS 146          2HZ       LYS 146   8.288 -10.673 -10.673
  656   2HZ   LYS 146          1HZ       LYS 146   9.839 -11.002 -11.002
  657   3HZ   LYS 146          3HZ       LYS 146   8.811 -12.273 -12.273
  658    H    VAL 147           H        VAL 147   3.983  -7.612  -7.612
  659    HA   VAL 147           HA       VAL 147   4.608  -8.408  -8.408
  660    HB   VAL 147           HB       VAL 147   4.385  -6.065  -6.065
  661   1HG1  VAL 147          3HG2      VAL 147   1.432  -6.644  -6.644
  662   2HG1  VAL 147          2HG2      VAL 147   2.123  -5.022  -5.022
  663   3HG1  VAL 147          1HG2      VAL 147   2.400  -6.145  -6.145
  664   1HG2  VAL 147          1HG1      VAL 147   4.300  -6.815  -6.815
  665   2HG2  VAL 147          3HG1      VAL 147   3.681  -5.201  -5.201
  666   3HG2  VAL 147          2HG1      VAL 147   2.562  -6.535  -6.535
  667    H    SER 148           H        SER 148   3.209  -8.535  -8.535
  668    HA   SER 148           HA       SER 148   1.299 -10.599 -10.599
  669   1HB   SER 148          2HB       SER 148   2.708  -9.298  -9.298
  670   2HB   SER 148          1HB       SER 148   1.009  -9.504  -9.504
  671    HG   SER 148           HG       SER 148   2.308 -11.329 -11.329
  672    H    PHE 149           H        PHE 149   0.899  -7.358  -7.358
  673    HA   PHE 149           HA       PHE 149  -1.004  -6.241  -6.241
  674   1HB   PHE 149          1HB       PHE 149  -2.708  -8.227  -8.227
  675   2HB   PHE 149          2HB       PHE 149  -3.168  -7.166  -7.166
  676    HD1  PHE 149           HD2      PHE 149  -0.628  -7.821  -7.821
  677    HD2  PHE 149           HD1      PHE 149  -3.552 -10.213 -10.213
  678    HE1  PHE 149           HE2      PHE 149  -0.206  -9.643  -9.643
  679    HE2  PHE 149           HE1      PHE 149  -3.135 -12.038 -12.038
  680    HZ   PHE 149           HZ       PHE 149  -1.461 -11.753 -11.753
  681    H    CYS 150           H        CYS 150  -2.740  -4.954  -4.954
  682    HA   CYS 150           HA       CYS 150  -1.677  -4.055  -4.055
  683   1HB   CYS 150          2HB       CYS 150  -3.129  -2.133  -2.133
  684   2HB   CYS 150          1HB       CYS 150  -2.272  -2.450  -2.450
  685    HG   CYS 150           HG       CYS 150  -4.472  -2.424  -2.424
  686    H    ALA 151           H        ALA 151  -3.719  -3.034  -3.034
  687    HA   ALA 151           HA       ALA 151  -6.064  -4.449  -4.449
  688   1HB   ALA 151          2HB       ALA 151  -3.885  -6.046  -6.046
  689   2HB   ALA 151          1HB       ALA 151  -4.668  -5.532  -5.532
  690   3HB   ALA 151          3HB       ALA 151  -5.601  -6.368  -6.368
  691    HA   PRO 152           HA       PRO 152  -5.792  -0.692  -0.692
  692   1HB   PRO 152          2HB       PRO 152  -8.457  -0.163  -0.163
  693   2HB   PRO 152          1HB       PRO 152  -7.373   0.264   0.264
  694   1HG   PRO 152          1HG       PRO 152  -9.202  -2.093  -2.093
  695   2HG   PRO 152          2HG       PRO 152  -8.932  -1.044  -1.044
  696   1HD   PRO 152          1HD       PRO 152  -7.773  -3.472  -3.472
  697   2HD   PRO 152          2HD       PRO 152  -6.965  -2.109  -2.109
  698    H    ASP 153           H        ASP 153  -5.729  -0.660  -0.660
  699    HA   ASP 153           HA       ASP 153  -6.671  -2.752  -2.752
  700   1HB   ASP 153          2HB       ASP 153  -5.956  -1.407  -1.407
  701   2HB   ASP 153          1HB       ASP 153  -4.797  -1.186  -1.186
  702    H    ARG 154           H        ARG 154  -7.828  -1.012  -1.012
  703    HA   ARG 154           HA       ARG 154 -10.530  -0.848  -0.848
  704   1HB   ARG 154          1HB       ARG 154 -11.367  -1.169  -1.169
  705   2HB   ARG 154          2HB       ARG 154 -10.292  -2.481  -2.481
  706   1HG   ARG 154          2HG       ARG 154  -9.229  -2.140  -2.140
  707   2HG   ARG 154          1HG       ARG 154  -8.618  -0.641  -0.641
  708   1HD   ARG 154          1HD       ARG 154 -10.715   0.473   0.473
  709   2HD   ARG 154          2HD       ARG 154 -11.060  -1.012  -1.012
  710    HE   ARG 154           HE       ARG 154  -8.543  -0.372  -0.372
  711   1HH1  ARG 154          1HH1      ARG 154 -11.562   1.359   1.359
  712   2HH1  ARG 154          2HH1      ARG 154 -11.181   2.345   2.345
  713   1HH2  ARG 154          1HH2      ARG 154  -8.030   0.921   0.921
  714   2HH2  ARG 154          2HH2      ARG 154  -9.171   2.095   2.095
  715    H    ASN 155           H        ASN 155  -8.324   1.267   1.267
  716    HA   ASN 155           HA       ASN 155  -9.036   3.282   3.282
  717   1HB   ASN 155          2HB       ASN 155  -7.435   3.079   3.079
  718   2HB   ASN 155          1HB       ASN 155  -8.299   4.612   4.612
  719   1HD2  ASN 155          2HD2      ASN 155  -6.551   5.842   5.842
  720   2HD2  ASN 155          1HD2      ASN 155  -8.045   5.905   5.905
  721    H    HIS 156           H        HIS 156 -10.643   2.068   2.068
  722    HA   HIS 156           HA       HIS 156 -12.842   2.364   2.364
  723   1HB   HIS 156          1HB       HIS 156 -13.011   3.688   3.688
  724   2HB   HIS 156          2HB       HIS 156 -12.999   5.098   5.098
  725    HD1  HIS 156           HD1      HIS 156 -15.224   5.755   5.755
  726    HD2  HIS 156           HD2      HIS 156 -15.182   1.843   1.843
  727    HE1  HIS 156           HE1      HIS 156 -17.599   4.906   4.906
  728    H    GLU 157           H        GLU 157 -10.442   4.889   4.889
  729    HA   GLU 157           HA       GLU 157 -10.531   5.022   5.022
  730   1HB   GLU 157          1HB       GLU 157 -11.680   7.420   7.420
  731   2HB   GLU 157          2HB       GLU 157 -12.584   5.932   5.932
  732   1HG   GLU 157          2HG       GLU 157 -13.712   6.141   6.141
  733   2HG   GLU 157          1HG       GLU 157 -12.342   6.850   6.850
  734    H    ARG 158           H        ARG 158  -8.320   5.097   5.097
  735    HA   ARG 158           HA       ARG 158  -6.978   7.384   7.384
  736   1HB   ARG 158          2HB       ARG 158  -6.416   8.258   8.258
  737   2HB   ARG 158          1HB       ARG 158  -7.974   8.703   8.703
  738   1HG   ARG 158          1HG       ARG 158  -8.814   6.593   6.593
  739   2HG   ARG 158          2HG       ARG 158  -7.345   6.839   6.839
  740   1HD   ARG 158          2HD       ARG 158  -8.060   8.856   8.856
  741   2HD   ARG 158          1HD       ARG 158  -9.138   9.161   9.161
  742    HE   ARG 158           HE       ARG 158 -10.192   6.975   6.975
  743   1HH1  ARG 158          1HH2      ARG 158  -9.400  10.247  10.247
  744   2HH1  ARG 158          2HH2      ARG 158 -10.647  10.361  10.361
  745   1HH2  ARG 158          1HH1      ARG 158 -11.837   7.113   7.113
  746   2HH2  ARG 158          2HH1      ARG 158 -12.032   8.579   8.579
  747    H    GLY 159           H        GLY 159  -7.189   4.614   4.614
  748   1HA   GLY 159          1HA       GLY 159  -4.253   4.437   4.437
  749   2HA   GLY 159          2HA       GLY 159  -5.355   3.593   3.593
  750    H    PHE 160           H        PHE 160  -3.198   3.006   3.006
  751    HA   PHE 160           HA       PHE 160  -4.579   0.580   0.580
  752   1HB   PHE 160          2HB       PHE 160  -2.872   2.124   2.124
  753   2HB   PHE 160          1HB       PHE 160  -4.039   0.850   0.850
  754    HD1  PHE 160           HD2      PHE 160  -6.471   1.607   1.607
  755    HD2  PHE 160           HD1      PHE 160  -3.520   4.117   4.117
  756    HE1  PHE 160           HE2      PHE 160  -8.193   3.304   3.304
  757    HE2  PHE 160           HE1      PHE 160  -5.237   5.818   5.818
  758    HZ   PHE 160           HZ       PHE 160  -7.577   5.412   5.412
  759    H    SER 161           H        SER 161  -2.851  -0.822  -0.822
  760    HA   SER 161           HA       SER 161  -0.132  -0.596  -0.596
  761   1HB   SER 161          2HB       SER 161  -0.225  -2.685  -2.685
  762   2HB   SER 161          1HB       SER 161  -0.516  -1.072  -1.072
  763    HG   SER 161           HG       SER 161  -2.660  -1.484  -1.484
  764    H    TYR 162           H        TYR 162   0.930  -1.757  -1.757
  765    HA   TYR 162           HA       TYR 162  -0.486  -3.911  -3.911
  766   1HB   TYR 162          2HB       TYR 162   2.142  -2.636  -2.636
  767   2HB   TYR 162          1HB       TYR 162   1.092  -3.629  -3.629
  768    HD1  TYR 162           HD2      TYR 162  -1.461  -2.104  -2.104
  769    HD2  TYR 162           HD1      TYR 162   2.154  -0.895  -0.895
  770    HE1  TYR 162           HE2      TYR 162  -2.582  -0.083  -0.083
  771    HE2  TYR 162           HE1      TYR 162   1.041   1.132   1.132
  772    HH   TYR 162           HH2      TYR 162  -2.400   1.602   1.602
  773    H    ILE 163           H        ILE 163   1.506  -5.437  -5.437
  774    HA   ILE 163           HA       ILE 163   3.352  -6.234  -6.234
  775    HB   ILE 163           HB       ILE 163   2.180  -8.704  -8.704
  776   1HG1  ILE 163          1HG1      ILE 163  -0.010  -6.822  -6.822
  777   2HG1  ILE 163          2HG1      ILE 163   0.143  -7.397  -7.397
  778   1HG2  ILE 163          3HG2      ILE 163   2.526  -6.886  -6.886
  779   2HG2  ILE 163          2HG2      ILE 163   1.326  -8.161  -8.161
  780   3HG2  ILE 163          1HG2      ILE 163   2.992  -8.576  -8.576
  781   1HD1  ILE 163          3HD1      ILE 163  -0.150  -9.205  -9.205
  782   2HD1  ILE 163          2HD1      ILE 163  -1.493  -8.649  -8.649
  783   3HD1  ILE 163          1HD1      ILE 163  -0.225  -9.651  -9.651
  784    H    CYS 164           H        CYS 164   4.855  -7.864  -7.864
  785    HA   CYS 164           HA       CYS 164   4.726  -8.578  -8.578
  786   1HB   CYS 164          2HB       CYS 164   6.896  -7.667  -7.667
  787   2HB   CYS 164          1HB       CYS 164   5.893  -6.377  -6.377
  788    HG   CYS 164           HG       CYS 164   7.386  -6.168  -6.168
  789    H    ARG 165           H        ARG 165   5.854 -10.423 -10.423
  790    HA   ARG 165           HA       ARG 165   6.974 -11.881 -11.881
  791   1HB   ARG 165          1HB       ARG 165   6.674 -13.836 -13.836
  792   2HB   ARG 165          2HB       ARG 165   5.358 -13.304 -13.304
  793   1HG   ARG 165          1HG       ARG 165   4.575 -13.578 -13.578
  794   2HG   ARG 165          2HG       ARG 165   4.529 -11.871 -11.871
  795   1HD   ARG 165          1HD       ARG 165   5.400 -12.019 -12.019
  796   2HD   ARG 165          2HD       ARG 165   6.729 -11.590 -11.590
  797    HE   ARG 165           HE       ARG 165   7.743 -13.577 -13.577
  798   1HH1  ARG 165          1HH2      ARG 165   4.420 -13.690 -13.690
  799   2HH1  ARG 165          2HH2      ARG 165   4.602 -15.187 -15.187
  800   1HH2  ARG 165          2HH1      ARG 165   7.993 -15.547 -15.547
  801   2HH2  ARG 165          1HH1      ARG 165   6.633 -16.241 -16.241
  802    H    ASP 166           H        ASP 166   9.002 -10.747 -10.747
  803    HA   ASP 166           HA       ASP 166  11.171 -10.598 -10.598
  804   1HB   ASP 166          2HB       ASP 166  11.274 -12.971 -12.971
  805   2HB   ASP 166          1HB       ASP 166  10.511 -13.303 -13.303
  806    H    GLY 167           H        GLY 167  10.342 -12.423 -12.423
  807   1HA   GLY 167          2HA       GLY 167  10.397 -11.851 -11.851
  808   2HA   GLY 167          1HA       GLY 167   9.715 -10.313 -10.313
  809    H    THR 168           H        THR 168  11.165  -8.614  -8.614
  810    HA   THR 168           HA       THR 168  13.943  -8.944  -8.944
  811    HB   THR 168           HB       THR 168  12.400  -6.530  -6.530
  812    HG1  THR 168          1HG       THR 168  12.767  -8.833  -8.833
  813   1HG2  THR 168          2HG2      THR 168  14.930  -6.677  -6.677
  814   2HG2  THR 168          1HG2      THR 168  14.691  -7.872  -7.872
  815   3HG2  THR 168          3HG2      THR 168  14.081  -6.229  -6.229
  816    H    THR 169           H        THR 169  12.379  -8.506  -8.506
  817    HA   THR 169           HA       THR 169  13.645  -5.988  -5.988
  818    HB   THR 169           HB       THR 169  11.257  -7.441  -7.441
  819    HG1  THR 169          1HG       THR 169  10.652  -6.303  -6.303
  820   1HG2  THR 169          1HG2      THR 169  12.981  -5.496  -5.496
  821   2HG2  THR 169          3HG2      THR 169  11.341  -4.873  -4.873
  822   3HG2  THR 169          2HG2      THR 169  11.618  -6.386  -6.386
  823    H    ARG 170           H        ARG 170  12.465  -8.668  -8.668
  824    HA   ARG 170           HA       ARG 170  15.119  -9.612  -9.612
  825   1HB   ARG 170          2HB       ARG 170  13.505  -8.126  -8.126
  826   2HB   ARG 170          1HB       ARG 170  14.874  -9.159  -9.159
  827   1HG   ARG 170          1HG       ARG 170  14.979  -6.692  -6.692
  828   2HG   ARG 170          2HG       ARG 170  15.482  -6.792  -6.792
  829   1HD   ARG 170          1HD       ARG 170  16.666  -8.460  -8.460
  830   2HD   ARG 170          2HD       ARG 170  17.352  -6.937  -6.937
  831    HE   ARG 170           HE       ARG 170  16.981  -8.681  -8.681
  832   1HH1  ARG 170          1HH2      ARG 170  18.991  -8.236  -8.236
  833   2HH1  ARG 170          2HH2      ARG 170  20.363  -9.034  -9.034
  834   1HH2  ARG 170          1HH1      ARG 170  18.780  -9.733  -9.733
  835   2HH2  ARG 170          2HH1      ARG 170  20.243  -9.886  -9.886
  836    H    ARG 171           H        ARG 171  12.062  -9.515  -9.515
  837    HA   ARG 171           HA       ARG 171  11.541 -12.312 -12.312
  838   1HB   ARG 171          1HB       ARG 171  11.493 -13.030 -13.030
  839   2HB   ARG 171          2HB       ARG 171  13.052 -12.268 -12.268
  840   1HG   ARG 171          2HG       ARG 171  12.698 -10.839 -10.839
  841   2HG   ARG 171          1HG       ARG 171  11.190 -10.298 -10.298
  842   1HD   ARG 171          2HD       ARG 171  10.140 -11.200 -11.200
  843   2HD   ARG 171          1HD       ARG 171  10.561 -12.774 -12.774
  844    HE   ARG 171           HE       ARG 171  12.617 -11.620 -11.620
  845   1HH1  ARG 171          2HH2      ARG 171   9.732 -13.571 -13.571
  846   2HH1  ARG 171          1HH2      ARG 171  10.103 -14.391 -14.391
  847   1HH2  ARG 171          2HH1      ARG 171  13.115 -12.693 -12.693
  848   2HH2  ARG 171          1HH1      ARG 171  12.028 -13.892 -13.892
  849    H    TRP 172           H        TRP 172   9.620 -12.543 -12.543
  850    HA   TRP 172           HA       TRP 172   7.372 -11.318 -11.318
  851   1HB   TRP 172          1HB       TRP 172   7.465 -12.357 -12.357
  852   2HB   TRP 172          2HB       TRP 172   6.075 -12.272 -12.272
  853    HD1  TRP 172           HD1      TRP 172   6.808 -14.989 -14.989
  854    HE1  TRP 172           HE1      TRP 172   7.462 -17.029 -17.029
  855    HE3  TRP 172           HE3      TRP 172   8.251 -12.579 -12.579
  856    HZ2  TRP 172          2HZ       TRP 172   8.456 -17.553 -17.553
  857    HZ3  TRP 172           HZ3      TRP 172   9.041 -13.930 -13.930
  858    HH2  TRP 172           HH2      TRP 172   9.139 -16.364 -16.364
  859    H    MET 173           H        MET 173   8.242  -9.119  -9.119
  860    HA   MET 173           HA       MET 173   8.376  -7.714  -7.714
  861   1HB   MET 173          2HB       MET 173  10.133  -7.184  -7.184
  862   2HB   MET 173          1HB       MET 173   9.046  -7.047  -7.047
  863   1HG   MET 173          1HG       MET 173   8.876  -4.886  -4.886
  864   2HG   MET 173          2HG       MET 173   8.276  -5.141  -5.141
  865   1HE   MET 173          1HE       MET 173  10.327  -6.510  -6.510
  866   2HE   MET 173          3HE       MET 173  11.685  -5.489  -5.489
  867   3HE   MET 173          2HE       MET 173  10.032  -4.970  -4.970
  868    H    CYS 174           H        CYS 174   6.687  -6.722  -6.722
  869    HA   CYS 174           HA       CYS 174   4.288  -6.300  -6.300
  870   1HB   CYS 174          2HB       CYS 174   4.969  -6.475  -6.475
  871   2HB   CYS 174          1HB       CYS 174   3.768  -5.242  -5.242
  872    HG   CYS 174           HG       CYS 174   3.143  -8.088  -8.088
  873    H    HIS 175           H        HIS 175   3.379  -4.329  -4.329
  874    HA   HIS 175           HA       HIS 175   5.117  -1.997  -1.997
  875   1HB   HIS 175          2HB       HIS 175   3.237  -2.555  -2.555
  876   2HB   HIS 175          1HB       HIS 175   4.150  -1.065  -1.065
  877    HD1  HIS 175           HD1      HIS 175   6.267  -1.018  -1.018
  878    HD2  HIS 175           HD2      HIS 175   5.143  -4.883  -4.883
  879    HE1  HIS 175           HE1      HIS 175   7.985  -2.555  -2.555
  880    H    GLY 176           H        GLY 176   4.332  -0.545  -0.545
  881   1HA   GLY 176          1HA       GLY 176   1.397  -0.303  -0.303
  882   2HA   GLY 176          2HA       GLY 176   2.511  -0.049  -0.049
  883    H    PHE 177           H        PHE 177   0.505   1.787   1.787
  884    HA   PHE 177           HA       PHE 177   1.981   4.155   4.155
  885   1HB   PHE 177          1HB       PHE 177   1.872   4.955   4.955
  886   2HB   PHE 177          2HB       PHE 177   2.743   3.427   3.427
  887    HD1  PHE 177           HD1      PHE 177   0.686   1.406   1.406
  888    HD2  PHE 177           HD2      PHE 177   0.834   5.194   5.194
  889    HE1  PHE 177           HE1      PHE 177  -0.809   0.562   0.562
  890    HE2  PHE 177           HE2      PHE 177  -0.663   4.353   4.353
  891    HZ   PHE 177           HZ       PHE 177  -1.485   2.034   2.034
  892    H    LEU 178           H        LEU 178   0.628   6.052   6.052
  893    HA   LEU 178           HA       LEU 178  -2.240   5.570   5.570
  894   1HB   LEU 178          2HB       LEU 178  -1.061   6.314   6.314
  895   2HB   LEU 178          1HB       LEU 178  -0.957   7.883   7.883
  896    HG   LEU 178           HG       LEU 178  -3.609   7.248   7.248
  897   1HD1  LEU 178          2HD2      LEU 178  -3.107   5.281   5.281
  898   2HD1  LEU 178          1HD2      LEU 178  -2.966   6.495   6.495
  899   3HD1  LEU 178          3HD2      LEU 178  -4.484   6.310   6.310
  900   1HD2  LEU 178          1HD1      LEU 178  -2.021   9.157   9.157
  901   2HD2  LEU 178          3HD1      LEU 178  -3.716   9.283   9.283
  902   3HD2  LEU 178          2HD1      LEU 178  -3.289   8.649   8.649
  903    H    ALA 179           H        ALA 179  -3.495   6.899   6.899
  904    HA   ALA 179           HA       ALA 179  -2.280   8.175   8.175
  905   1HB   ALA 179          3HB       ALA 179  -5.061   7.959   7.959
  906   2HB   ALA 179          2HB       ALA 179  -4.705   9.158   9.158
  907   3HB   ALA 179          1HB       ALA 179  -4.377   7.451   7.451
  908    H    CYS 180           H        CYS 180  -1.841  10.257  10.257
  909    HA   CYS 180           HA       CYS 180  -1.400  12.095  12.095
  910   1HB   CYS 180          1HB       CYS 180   0.015  12.186  12.186
  911   2HB   CYS 180          2HB       CYS 180  -1.370  12.402  12.402
  912    HG   CYS 180           HG       CYS 180  -1.576  14.832  14.832
  913    H    LYS 181           H        LYS 181  -3.930  11.684  11.684
  914    HA   LYS 181           HA       LYS 181  -5.287  14.126  14.126
  915   1HB   LYS 181          1HB       LYS 181  -6.501  11.769  11.769
  916   2HB   LYS 181          2HB       LYS 181  -6.927  13.469  13.469
  917   1HG   LYS 181          1HG       LYS 181  -4.311  12.278  12.278
  918   2HG   LYS 181          2HG       LYS 181  -5.695  12.590  12.590
  919   1HD   LYS 181          1HD       LYS 181  -5.395  14.849  14.849
  920   2HD   LYS 181          2HD       LYS 181  -4.705  14.836  14.836
  921   1HE   LYS 181          2HE       LYS 181  -2.719  13.607  13.607
  922   2HE   LYS 181          1HE       LYS 181  -3.381  14.269  14.269
  923   1HZ   LYS 181          1HZ       LYS 181  -3.139  16.202  16.202
  924   2HZ   LYS 181          3HZ       LYS 181  -1.657  15.548  15.548
  925   3HZ   LYS 181          2HZ       LYS 181  -2.659  16.305  16.305
  926    H    ASP 182           H        ASP 182  -5.334  10.832  10.832
  927    HA   ASP 182           HA       ASP 182  -6.438   9.785   9.785
  928   1HB   ASP 182          1HB       ASP 182  -5.665  12.098  12.098
  929   2HB   ASP 182          2HB       ASP 182  -7.401  12.386  12.386
  930    H    SER 183           H        SER 183  -7.890  10.219  10.219
  931    HA   SER 183           HA       SER 183 -10.572   9.872   9.872
  932   1HB   SER 183          1HB       SER 183 -11.478  11.478  11.478
  933   2HB   SER 183          2HB       SER 183 -10.709  12.207  12.207
  934    HG   SER 183           HG       SER 183  -9.942  12.239  12.239
  935    H    GLY 184           H        GLY 184  -8.380   8.415   8.415
  936   1HA   GLY 184          2HA       GLY 184  -8.211   6.983   6.983
  937   2HA   GLY 184          1HA       GLY 184  -9.873   6.613   6.613
  938    H    GLU 185           H        GLU 185  -8.999   9.792   9.792
  939    HA   GLU 185           HA       GLU 185 -10.442   9.215   9.215
  940   1HB   GLU 185          2HB       GLU 185 -10.584  11.406  11.406
  941   2HB   GLU 185          1HB       GLU 185 -10.295  11.986  11.986
  942   1HG   GLU 185          1HG       GLU 185 -12.485  11.850  11.850
  943   2HG   GLU 185          2HG       GLU 185 -12.281  10.099  10.099
  944    H    ARG 186           H        ARG 186  -7.544   8.874   8.874
  945    HA   ARG 186           HA       ARG 186  -6.462   9.664   9.664
  946   1HB   ARG 186          1HB       ARG 186  -6.521  11.773  11.773
  947   2HB   ARG 186          2HB       ARG 186  -4.848  11.253  11.253
  948   1HG   ARG 186          1HG       ARG 186  -4.650  12.402  12.402
  949   2HG   ARG 186          2HG       ARG 186  -5.917  11.418  11.418
  950   1HD   ARG 186          1HD       ARG 186  -7.201  13.228  13.228
  951   2HD   ARG 186          2HD       ARG 186  -7.238  13.223  13.223
  952    HE   ARG 186           HE       ARG 186  -4.880  14.478  14.478
  953   1HH1  ARG 186          2HH2      ARG 186  -8.323  14.980  14.980
  954   2HH1  ARG 186          1HH2      ARG 186  -8.201  16.707  16.707
  955   1HH2  ARG 186          1HH1      ARG 186  -4.707  16.753  16.753
  956   2HH2  ARG 186          2HH1      ARG 186  -6.145  17.714  17.714
  957    H    LEU 187           H        LEU 187  -6.567   7.404   7.404
  958    HA   LEU 187           HA       LEU 187  -3.846   6.574   6.574
  959   1HB   LEU 187          2HB       LEU 187  -5.144   7.243   7.243
  960   2HB   LEU 187          1HB       LEU 187  -3.978   5.937   5.937
  961    HG   LEU 187           HG       LEU 187  -2.687   8.019   8.019
  962   1HD1  LEU 187          1HD1      LEU 187  -4.763   9.189   9.189
  963   2HD1  LEU 187          3HD1      LEU 187  -3.305   9.433   9.433
  964   3HD1  LEU 187          2HD1      LEU 187  -3.363   9.993   9.993
  965   1HD2  LEU 187          3HD2      LEU 187  -2.558   6.743   6.743
  966   2HD2  LEU 187          2HD2      LEU 187  -1.370   6.766   6.766
  967   3HD2  LEU 187          1HD2      LEU 187  -1.593   8.190   8.190
  968    H    SER 188           H        SER 188  -6.956   5.909   5.909
  969    HA   SER 188           HA       SER 188  -6.660   3.073   3.073
  970   1HB   SER 188          2HB       SER 188  -8.033   3.675   3.675
  971   2HB   SER 188          1HB       SER 188  -8.858   4.928   4.928
  972    HG   SER 188           HG       SER 188  -9.187   2.122   2.122
  973    H    HIS 189           H        HIS 189  -9.141   5.206   5.206
  974    HA   HIS 189           HA       HIS 189 -10.099   3.425   3.425
  975   1HB   HIS 189          1HB       HIS 189 -11.260   5.499   5.499
  976   2HB   HIS 189          2HB       HIS 189  -9.900   6.442   6.442
  977    HD1  HIS 189           HD1      HIS 189  -9.704   6.725   6.725
  978    HD2  HIS 189           HD2      HIS 189 -12.850   4.293   4.293
  979    HE1  HIS 189           HE1      HIS 189 -11.142   6.362   6.362
  980    H    ALA 190           H        ALA 190  -7.319   5.566   5.566
  981    HA   ALA 190           HA       ALA 190  -6.707   5.273   5.273
  982   1HB   ALA 190          1HB       ALA 190  -5.748   7.022   7.022
  983   2HB   ALA 190          3HB       ALA 190  -4.808   5.788   5.788
  984   3HB   ALA 190          2HB       ALA 190  -4.509   6.114   6.114
  985    H    VAL 191           H        VAL 191  -4.830   3.888   3.888
  986    HA   VAL 191           HA       VAL 191  -3.428   2.013   2.013
  987    HB   VAL 191           HB       VAL 191  -4.402   1.619   1.619
  988   1HG1  VAL 191          3HG2      VAL 191  -2.873  -0.010  -0.010
  989   2HG1  VAL 191          2HG2      VAL 191  -1.754   0.683   0.683
  990   3HG1  VAL 191          1HG2      VAL 191  -3.163  -0.222  -0.222
  991   1HG2  VAL 191          1HG1      VAL 191  -2.949   3.761   3.761
  992   2HG2  VAL 191          3HG1      VAL 191  -2.967   3.169   3.169
  993   3HG2  VAL 191          2HG1      VAL 191  -1.699   2.646   2.646
  994    H    GLY 192           H        GLY 192  -6.538   1.557   1.557
  995   1HA   GLY 192          1HA       GLY 192  -6.957  -1.124  -1.124
  996   2HA   GLY 192          2HA       GLY 192  -8.242   0.065   0.065
  997    H    CYS 193           H        CYS 193  -7.127   1.613   1.613
  998    HA   CYS 193           HA       CYS 193  -8.450   0.106   0.106
  999   1HB   CYS 193          1HB       CYS 193  -7.435   2.937   2.937
 1000   2HB   CYS 193          2HB       CYS 193  -8.001   2.262   2.262
 1001    HG   CYS 193           HG       CYS 193 -10.128   1.950   1.950
 1002    H    ALA 194           H        ALA 194  -5.258   1.070   1.070
 1003    HA   ALA 194           HA       ALA 194  -3.808   0.861   0.861
 1004   1HB   ALA 194          3HB       ALA 194  -3.067   1.401   1.401
 1005   2HB   ALA 194          2HB       ALA 194  -2.714  -0.324  -0.324
 1006   3HB   ALA 194          1HB       ALA 194  -1.917   0.692   0.692
 1007    H    PHE 195           H        PHE 195  -4.614  -1.731  -1.731
 1008    HA   PHE 195           HA       PHE 195  -3.434  -3.855  -3.855
 1009   1HB   PHE 195          1HB       PHE 195  -5.895  -3.736  -3.736
 1010   2HB   PHE 195          2HB       PHE 195  -5.206  -5.252  -5.252
 1011    HD1  PHE 195           HD1      PHE 195  -3.077  -6.050  -6.050
 1012    HD2  PHE 195           HD2      PHE 195  -4.776  -2.410  -2.410
 1013    HE1  PHE 195           HE1      PHE 195  -1.512  -6.057  -6.057
 1014    HE2  PHE 195           HE2      PHE 195  -3.213  -2.411  -2.411
 1015    HZ   PHE 195           HZ       PHE 195  -1.579  -4.235  -4.235
 1016    H    ALA 196           H        ALA 196  -6.303  -2.096  -2.096
 1017    HA   ALA 196           HA       ALA 196  -7.838  -3.853  -3.853
 1018   1HB   ALA 196          1HB       ALA 196  -8.348  -1.453  -1.453
 1019   2HB   ALA 196          3HB       ALA 196  -7.190  -1.060  -1.060
 1020   3HB   ALA 196          2HB       ALA 196  -8.632  -2.000  -2.000
 1021    H    VAL 197           H        VAL 197  -5.013  -2.080  -2.080
 1022    HA   VAL 197           HA       VAL 197  -5.044  -3.147  -3.147
 1023    HB   VAL 197           HB       VAL 197  -2.699  -2.189  -2.189
 1024   1HG1  VAL 197          3HG2      VAL 197  -2.881  -3.207  -3.207
 1025   2HG1  VAL 197          2HG2      VAL 197  -1.878  -1.784  -1.784
 1026   3HG1  VAL 197          1HG2      VAL 197  -1.546  -3.280  -3.280
 1027   1HG2  VAL 197          1HG1      VAL 197  -4.640  -0.869  -0.869
 1028   2HG2  VAL 197          3HG1      VAL 197  -4.082  -0.352  -0.352
 1029   3HG2  VAL 197          2HG1      VAL 197  -3.013  -0.216  -0.216
 1030    H    CYS 198           H        CYS 198  -3.622  -4.337  -4.337
 1031    HA   CYS 198           HA       CYS 198  -2.216  -6.520  -6.520
 1032   1HB   CYS 198          1HB       CYS 198  -1.659  -5.780  -5.780
 1033   2HB   CYS 198          2HB       CYS 198  -3.306  -6.050  -6.050
 1034    HG   CYS 198           HG       CYS 198  -2.829  -8.452  -8.452
 1035    H    LEU 199           H        LEU 199  -5.526  -6.011  -6.011
 1036    HA   LEU 199           HA       LEU 199  -6.192  -8.681  -8.681
 1037   1HB   LEU 199          1HB       LEU 199  -7.753  -7.413  -7.413
 1038   2HB   LEU 199          2HB       LEU 199  -7.780  -9.080  -9.080
 1039    HG   LEU 199           HG       LEU 199  -5.228  -8.953  -8.953
 1040   1HD1  LEU 199          2HD1      LEU 199  -6.459  -6.566  -6.566
 1041   2HD1  LEU 199          1HD1      LEU 199  -5.908  -7.623  -7.623
 1042   3HD1  LEU 199          3HD1      LEU 199  -4.774  -7.084  -7.084
 1043   1HD2  LEU 199          2HD2      LEU 199  -7.744  -9.539  -9.539
 1044   2HD2  LEU 199          1HD2      LEU 199  -6.569 -10.661 -10.661
 1045   3HD2  LEU 199          3HD2      LEU 199  -6.163  -9.734  -9.734
 1046    H    GLU 200           H        GLU 200  -6.253  -6.821  -6.821
 1047    HA   GLU 200           HA       GLU 200  -8.265  -4.971  -4.971
 1048   1HB   GLU 200          1HB       GLU 200  -8.179  -5.472  -5.472
 1049   2HB   GLU 200          2HB       GLU 200  -6.671  -5.008  -5.008
 1050   1HG   GLU 200          2HG       GLU 200  -5.828  -7.187  -7.187
 1051   2HG   GLU 200          1HG       GLU 200  -7.418  -7.885  -7.885
 1052    H    ARG 201           H        ARG 201  -8.513  -8.420  -8.420
 1053    HA   ARG 201           HA       ARG 201 -11.408  -8.162  -8.162
 1054   1HB   ARG 201          2HB       ARG 201  -9.549 -10.397 -10.397
 1055   2HB   ARG 201          1HB       ARG 201 -11.302 -10.500 -10.500
 1056   1HG   ARG 201          2HG       ARG 201 -10.927  -8.230  -8.230
 1057   2HG   ARG 201          1HG       ARG 201  -9.404  -9.050  -9.050
 1058   1HD   ARG 201          2HD       ARG 201 -10.890  -9.690  -9.690
 1059   2HD   ARG 201          1HD       ARG 201 -10.794 -11.071 -11.071
 1060    HE   ARG 201           HE       ARG 201 -12.962  -9.378  -9.378
 1061   1HH1  ARG 201          2HH2      ARG 201 -11.955 -11.778 -11.778
 1062   2HH1  ARG 201          1HH2      ARG 201 -13.566 -12.315 -12.315
 1063   1HH2  ARG 201          1HH1      ARG 201 -15.090 -10.076 -10.076
 1064   2HH2  ARG 201          2HH1      ARG 201 -15.349 -11.347 -11.347
 1065    H    LYS 202           H        LYS 202  -9.774  -8.128  -8.128
 1066    HA   LYS 202           HA       LYS 202  -9.707  -9.050  -9.050
 1067   1HB   LYS 202          1HB       LYS 202 -12.520  -9.741  -9.741
 1068   2HB   LYS 202          2HB       LYS 202 -11.930  -9.923  -9.923
 1069   1HG   LYS 202          1HG       LYS 202 -12.322  -7.396  -7.396
 1070   2HG   LYS 202          2HG       LYS 202 -13.077  -7.876  -7.876
 1071   1HD   LYS 202          1HD       LYS 202 -10.527  -7.937  -7.937
 1072   2HD   LYS 202          2HD       LYS 202 -10.387  -6.742  -6.742
 1073   1HE   LYS 202          1HE       LYS 202 -11.156  -5.192  -5.192
 1074   2HE   LYS 202          2HE       LYS 202 -12.686  -6.064  -6.064
 1075   1HZ   LYS 202          3HZ       LYS 202 -11.342  -7.483  -7.483
 1076   2HZ   LYS 202          2HZ       LYS 202 -10.442  -6.059  -6.059
 1077   3HZ   LYS 202          1HZ       LYS 202 -12.106  -6.043  -6.043
 1078    H    GLN 203           H        GLN 203  -8.424 -10.667 -10.667
 1079    HA   GLN 203           HA       GLN 203  -9.361 -13.358 -13.358
 1080   1HB   GLN 203          1HB       GLN 203  -7.576 -12.117 -12.117
 1081   2HB   GLN 203          2HB       GLN 203  -6.462 -12.777 -12.777
 1082   1HG   GLN 203          2HG       GLN 203  -6.539 -14.359 -14.359
 1083   2HG   GLN 203          1HG       GLN 203  -7.555 -15.022 -15.022
 1084   1HE2  GLN 203          1HE2      GLN 203  -9.472 -15.606 -15.606
 1085   2HE2  GLN 203          2HE2      GLN 203  -8.076 -16.207 -16.207
 1086    H    ARG 204           H        ARG 204  -9.788 -13.124 -13.124
 1087    HA   ARG 204           HA       ARG 204  -7.531 -13.345 -13.345
 1088   1HB   ARG 204          1HB       ARG 204  -9.181 -13.697 -13.697
 1089   2HB   ARG 204          2HB       ARG 204  -9.660 -12.347 -12.347
 1090   1HG   ARG 204          2HG       ARG 204 -10.810 -14.732 -14.732
 1091   2HG   ARG 204          1HG       ARG 204 -11.148 -14.642 -14.642
 1092   1HD   ARG 204          2HD       ARG 204 -11.844 -12.226 -12.226
 1093   2HD   ARG 204          1HD       ARG 204 -11.841 -12.658 -12.658
 1094    HE   ARG 204           HE       ARG 204 -13.381 -14.559 -14.559
 1095   1HH1  ARG 204          2HH2      ARG 204 -13.445 -11.120 -11.120
 1096   2HH1  ARG 204          1HH2      ARG 204 -15.173 -11.013 -11.013
 1097   1HH2  ARG 204          1HH1      ARG 204 -15.659 -14.432 -14.432
 1098   2HH2  ARG 204          2HH1      ARG 204 -16.433 -12.897 -12.897
 1099    H    ARG 205           H        ARG 205  -6.495 -15.145 -15.145
 1100    HA   ARG 205           HA       ARG 205  -7.753 -17.743 -17.743
 1101   1HB   ARG 205          2HB       ARG 205  -6.198 -17.012 -17.012
 1102   2HB   ARG 205          1HB       ARG 205  -4.880 -17.131 -17.131
 1103   1HG   ARG 205          2HG       ARG 205  -5.555 -19.530 -19.530
 1104   2HG   ARG 205          1HG       ARG 205  -6.635 -19.343 -19.343
 1105   1HD   ARG 205          1HD       ARG 205  -4.036 -18.343 -18.343
 1106   2HD   ARG 205          2HD       ARG 205  -3.892 -19.976 -19.976
 1107    HE   ARG 205           HE       ARG 205  -5.970 -19.989 -19.989
 1108   1HH1  ARG 205          2HH2      ARG 205  -2.523 -19.494 -19.494
 1109   2HH1  ARG 205          1HH2      ARG 205  -2.278 -20.074 -20.074
 1110   1HH2  ARG 205          1HH1      ARG 205  -5.659 -20.757 -20.757
 1111   2HH2  ARG 205          2HH1      ARG 205  -4.061 -20.792 -20.792
 1112    H    THR 206           H        THR 206  -7.959 -17.282 -17.282
 1113    HA   THR 206           HA       THR 206  -5.529 -17.884 -17.884
 1114    HB   THR 206           HB       THR 206  -6.700 -17.233 -17.233
 1115    HG1  THR 206          1HG       THR 206  -8.601 -18.165 -18.165
 1116   1HG2  THR 206          1HG2      THR 206  -6.356 -15.381 -15.381
 1117   2HG2  THR 206          3HG2      THR 206  -8.087 -15.515 -15.515
 1118   3HG2  THR 206          2HG2      THR 206  -7.508 -15.089 -15.089
 1119    H    ARG 207           H        ARG 207  -5.831 -19.469 -19.469
 1120    HA   ARG 207           HA       ARG 207  -6.224 -22.034 -22.034
 1121   1HB   ARG 207          2HB       ARG 207  -5.738 -20.849 -20.849
 1122   2HB   ARG 207          1HB       ARG 207  -6.534 -22.417 -22.417
 1123   1HG   ARG 207          2HG       ARG 207  -4.722 -23.390 -23.390
 1124   2HG   ARG 207          1HG       ARG 207  -3.936 -21.814 -21.814
 1125   1HD   ARG 207          2HD       ARG 207  -2.854 -22.315 -22.315
 1126   2HD   ARG 207          1HD       ARG 207  -4.397 -22.185 -22.185
 1127    HE   ARG 207           HE       ARG 207  -4.035 -24.761 -24.761
 1128   1HH1  ARG 207          1HH1      ARG 207  -3.158 -22.767 -22.767
 1129   2HH1  ARG 207          2HH1      ARG 207  -2.875 -24.108 -24.108
 1130   1HH2  ARG 207          2HH2      ARG 207  -3.665 -26.535 -26.535
 1131   2HH2  ARG 207          1HH2      ARG 207  -3.164 -26.250 -26.250
 1132    H    ALA 208           H        ALA 208  -7.896 -23.464 -23.464
 1133    HA   ALA 208           HA       ALA 208 -10.055 -24.182 -24.182
 1134   1HB   ALA 208          3HB       ALA 208  -9.497 -23.846 -23.846
 1135   2HB   ALA 208          2HB       ALA 208 -10.721 -22.583 -22.583
 1136   3HB   ALA 208          1HB       ALA 208 -11.129 -24.251 -24.251
 1137    H    ALA 209           H        ALA 209 -10.762 -23.143 -23.143
 1138    HA   ALA 209           HA       ALA 209 -11.662 -20.430 -20.430
 1139   1HB   ALA 209          1HB       ALA 209 -11.817 -22.672 -22.672
 1140   2HB   ALA 209          3HB       ALA 209 -12.622 -21.129 -21.129
 1141   3HB   ALA 209          2HB       ALA 209 -10.871 -21.186 -21.186
 1142    H    ALA 210           H        ALA 210 -13.812 -19.682 -19.682
 1143    HA   ALA 210           HA       ALA 210 -16.023 -19.552 -19.552
 1144   1HB   ALA 210          1HB       ALA 210 -15.674 -22.179 -22.179
 1145   2HB   ALA 210          3HB       ALA 210 -17.121 -22.029 -22.029
 1146   3HB   ALA 210          2HB       ALA 210 -16.848 -20.907 -20.907
 1147   1H    ALA   1          2HT       ALA   1 -13.693  -7.062  -7.062
 1148   2H    ALA   1          1HT       ALA   1 -12.035  -7.499  -7.499
 1149   3H    ALA   1          3HT       ALA   1 -12.784  -6.796  -6.796
 1150    HA   ALA   1           HA       ALA   1 -13.124  -4.773  -4.773
 1151   1HB   ALA   1          3HB       ALA   1 -11.017  -5.259  -5.259
 1152   2HB   ALA   1          2HB       ALA   1 -10.254  -5.634  -5.634
 1153   3HB   ALA   1          1HB       ALA   1 -10.876  -4.012  -4.012
 1154    H    TYR   2           H        TYR   2 -10.788  -6.684  -6.684
 1155    HA   TYR   2           HA       TYR   2 -12.234  -6.433  -6.433
 1156   1HB   TYR   2          1HB       TYR   2  -9.979  -5.053  -5.053
 1157   2HB   TYR   2          2HB       TYR   2 -11.598  -4.393  -4.393
 1158    HD1  TYR   2           HD2      TYR   2  -9.070  -5.321  -5.321
 1159    HD2  TYR   2           HD1      TYR   2 -11.319  -2.221  -2.221
 1160    HE1  TYR   2           HE2      TYR   2  -8.223  -3.720  -3.720
 1161    HE2  TYR   2           HE1      TYR   2 -10.480  -0.612  -0.612
 1162    HH   TYR   2           HH2      TYR   2  -7.900  -1.342  -1.342
 1163    H    ILE   3           H        ILE   3  -8.725  -6.109  -6.109
 1164    HA   ILE   3           HA       ILE   3  -8.507  -8.914  -8.914
 1165    HB   ILE   3           HB       ILE   3  -6.573  -6.689  -6.689
 1166   1HG1  ILE   3          2HG1      ILE   3  -8.785  -6.332  -6.332
 1167   2HG1  ILE   3          1HG1      ILE   3  -7.521  -6.679  -6.679
 1168   1HG2  ILE   3          3HG2      ILE   3  -6.133  -9.369  -9.369
 1169   2HG2  ILE   3          2HG2      ILE   3  -6.666  -9.107  -9.107
 1170   3HG2  ILE   3          1HG2      ILE   3  -5.283  -8.214  -8.214
 1171   1HD1  ILE   3          3HD1      ILE   3  -8.315  -9.069  -9.069
 1172   2HD1  ILE   3          2HD1      ILE   3  -9.708  -8.494  -8.494
 1173   3HD1  ILE   3          1HD1      ILE   3  -9.416  -7.892  -7.892
 1174    H    GLY   4           H        GLY   4  -6.724  -6.328  -6.328
 1175   1HA   GLY   4          2HA       GLY   4  -4.673  -7.820  -7.820
 1176   2HA   GLY   4          1HA       GLY   4  -5.379  -6.415  -6.415
 1177    HA   PRO   5           HA       PRO   5  -6.927  -8.824  -8.824
 1178   1HB   PRO   5          2HB       PRO   5  -9.622  -7.670  -7.670
 1179   2HB   PRO   5          1HB       PRO   5  -8.616  -7.634  -7.634
 1180   1HG   PRO   5          1HG       PRO   5  -8.926  -5.455  -5.455
 1181   2HG   PRO   5          2HG       PRO   5  -7.363  -5.838  -5.838
 1182   1HD   PRO   5          2HD       PRO   5  -8.250  -6.194  -6.194
 1183   2HD   PRO   5          1HD       PRO   5  -6.678  -5.658  -5.658
 1184   1HN   PTR   6           H        PTR   6  -8.950  -8.710  -8.710
 1185    HA   PTR   6           HA       PTR   6 -10.333 -11.154 -11.154
 1186   1HB   PTR   6          1HB       PTR   6 -10.311 -10.149 -10.149
 1187   2HB   PTR   6          2HB       PTR   6 -10.957  -9.051  -9.051
 1188    HD1  PTR   6           HD1      PTR   6 -12.493 -10.563 -10.563
 1189    HD2  PTR   6           HD2      PTR   6 -12.029 -11.172 -11.172
 1190    HE1  PTR   6           HE1      PTR   6 -14.721 -11.619 -11.619
 1191    HE2  PTR   6           HE2      PTR   6 -13.845 -12.844 -12.844
 1192    H    LEU   7           H        LEU   7 -10.333 -12.349 -12.349
 1193    HA   LEU   7           HA       LEU   7  -9.223 -13.895 -13.895
 1194   1HB   LEU   7          2HB       LEU   7  -7.173 -11.856 -11.856
 1195   2HB   LEU   7          1HB       LEU   7  -6.544 -13.436 -13.436
 1196    HG   LEU   7           HG       LEU   7  -7.964 -13.343 -13.343
 1197   1HD1  LEU   7          3HD1      LEU   7  -9.036 -11.088 -11.088
 1198   2HD1  LEU   7          2HD1      LEU   7  -8.162 -10.494 -10.494
 1199   3HD1  LEU   7          1HD1      LEU   7  -9.428 -11.707 -11.707
 1200   1HD2  LEU   7          2HD2      LEU   7  -5.491 -12.105 -12.105
 1201   2HD2  LEU   7          1HD2      LEU   7  -6.051 -12.750 -12.750
 1202   3HD2  LEU   7          3HD2      LEU   7  -6.355 -11.063 -11.063

  Start of MODEL    7
    1    HA   SER  64           HA       SER  64 -17.384   8.498   8.498
    2   1HB   SER  64          1HB       SER  64 -15.322   7.057   7.057
    3   2HB   SER  64          2HB       SER  64 -16.861   6.225   6.225
    4    HG   SER  64           HG       SER  64 -14.941   5.483   5.483
    5    H    LYS  65           H        LYS  65 -17.457   9.984   9.984
    6    HA   LYS  65           HA       LYS  65 -14.649  10.552  10.552
    7   1HB   LYS  65          2HB       LYS  65 -15.118  10.953  10.953
    8   2HB   LYS  65          1HB       LYS  65 -15.637   9.326   9.326
    9   1HG   LYS  65          1HG       LYS  65 -17.832   9.795   9.795
   10   2HG   LYS  65          2HG       LYS  65 -17.656  11.483  11.483
   11   1HD   LYS  65          2HD       LYS  65 -17.743  11.998  11.998
   12   2HD   LYS  65          1HD       LYS  65 -16.148  11.258  11.258
   13   1HE   LYS  65          1HE       LYS  65 -17.091   9.168   9.168
   14   2HE   LYS  65          2HE       LYS  65 -18.717   9.704   9.704
   15   1HZ   LYS  65          2HZ       LYS  65 -18.443  11.423  11.423
   16   2HZ   LYS  65          1HZ       LYS  65 -17.044  10.607  10.607
   17   3HZ   LYS  65          3HZ       LYS  65 -18.543   9.825   9.825
   18    HA   PRO  66           HA       PRO  66 -17.538  14.181  14.181
   19   1HB   PRO  66          1HB       PRO  66 -15.710  14.863  14.863
   20   2HB   PRO  66          2HB       PRO  66 -17.261  14.052  14.052
   21   1HG   PRO  66          2HG       PRO  66 -14.519  12.892  12.892
   22   2HG   PRO  66          1HG       PRO  66 -15.892  12.391  12.391
   23   1HD   PRO  66          1HD       PRO  66 -15.204  11.005  11.005
   24   2HD   PRO  66          2HD       PRO  66 -16.910  11.243  11.243
   25    H    HIS  67           H        HIS  67 -14.057  14.396  14.396
   26    HA   HIS  67           HA       HIS  67 -13.762  16.261  16.261
   27   1HB   HIS  67          2HB       HIS  67 -13.196  16.805  16.805
   28   2HB   HIS  67          1HB       HIS  67 -12.207  17.575  17.575
   29    HD1  HIS  67           HD1      HIS  67 -15.562  17.730  17.730
   30    HD2  HIS  67           HD2      HIS  67 -13.579  19.408  19.408
   31    HE1  HIS  67           HE1      HIS  67 -16.965  19.694  19.694
   32    H    GLN  68           H        GLN  68 -11.500  15.519  15.519
   33    HA   GLN  68           HA       GLN  68  -9.420  14.870  14.870
   34   1HB   GLN  68          1HB       GLN  68  -9.659  14.590  14.590
   35   2HB   GLN  68          2HB       GLN  68  -8.203  14.158  14.158
   36   1HG   GLN  68          1HG       GLN  68  -7.533  16.264  16.264
   37   2HG   GLN  68          2HG       GLN  68  -9.081  16.799  16.799
   38   1HE2  GLN  68          2HE2      GLN  68  -8.405  18.413  18.413
   39   2HE2  GLN  68          1HE2      GLN  68  -7.517  18.264  18.264
   40    H    TRP  69           H        TRP  69 -11.800  13.039  13.039
   41    HA   TRP  69           HA       TRP  69 -10.667  10.503  10.503
   42   1HB   TRP  69          1HB       TRP  69 -13.383  11.627  11.627
   43   2HB   TRP  69          2HB       TRP  69 -13.319   9.971   9.971
   44    HD1  TRP  69           HD1      TRP  69 -10.610  10.730  10.730
   45    HE1  TRP  69           HE1      TRP  69 -11.176   9.672   9.672
   46    HE3  TRP  69           HE3      TRP  69 -15.476   9.440   9.440
   47    HZ2  TRP  69          2HZ       TRP  69 -13.394   8.451   8.451
   48    HZ3  TRP  69           HZ3      TRP  69 -16.751   8.332   8.332
   49    HH2  TRP  69           HH2      TRP  69 -15.730   7.848   7.848
   50    H    GLN  70           H        GLN  70 -12.618  12.086  12.086
   51    HA   GLN  70           HA       GLN  70 -12.884  10.039  10.039
   52   1HB   GLN  70          1HB       GLN  70 -13.286  11.675  11.675
   53   2HB   GLN  70          2HB       GLN  70 -13.796  12.406  12.406
   54   1HG   GLN  70          2HG       GLN  70 -12.611  14.160  14.160
   55   2HG   GLN  70          1HG       GLN  70 -11.223  13.237  13.237
   56   1HE2  GLN  70          2HE2      GLN  70 -10.095  14.125  14.125
   57   2HE2  GLN  70          1HE2      GLN  70 -10.195  14.696  14.696
   58    H    ALA  71           H        ALA  71 -10.061  11.991  11.991
   59    HA   ALA  71           HA       ALA  71  -8.567  11.039  11.039
   60   1HB   ALA  71          3HB       ALA  71  -7.933  12.752  12.752
   61   2HB   ALA  71          2HB       ALA  71  -6.644  12.147  12.147
   62   3HB   ALA  71          1HB       ALA  71  -7.917  13.162  13.162
   63    H    ASP  72           H        ASP  72  -7.767  10.793  10.793
   64    HA   ASP  72           HA       ASP  72  -5.871   8.838   8.838
   65   1HB   ASP  72          2HB       ASP  72  -7.894   8.941   8.941
   66   2HB   ASP  72          1HB       ASP  72  -6.215   8.415   8.415
   67    H    GLU  73           H        GLU  73  -9.345   8.422   8.422
   68    HA   GLU  73           HA       GLU  73  -9.410   5.629   5.629
   69   1HB   GLU  73          1HB       GLU  73 -11.650   5.702   5.702
   70   2HB   GLU  73          2HB       GLU  73 -11.387   7.172   7.172
   71   1HG   GLU  73          1HG       GLU  73 -11.800   8.468   8.468
   72   2HG   GLU  73          2HG       GLU  73 -10.738   7.532   7.532
   73    H    GLU  74           H        GLU  74  -8.573   7.577   7.577
   74    HA   GLU  74           HA       GLU  74  -8.600   5.230   5.230
   75   1HB   GLU  74          1HB       GLU  74  -8.833   8.146   8.146
   76   2HB   GLU  74          2HB       GLU  74  -7.882   7.287   7.287
   77   1HG   GLU  74          2HG       GLU  74  -9.851   5.701   5.701
   78   2HG   GLU  74          1HG       GLU  74 -10.765   6.887   6.887
   79    H    ALA  75           H        ALA  75  -6.497   7.685   7.685
   80    HA   ALA  75           HA       ALA  75  -4.166   7.229   7.229
   81   1HB   ALA  75          1HB       ALA  75  -4.779   8.251   8.251
   82   2HB   ALA  75          3HB       ALA  75  -3.111   7.790   7.790
   83   3HB   ALA  75          2HB       ALA  75  -3.906   9.012   9.012
   84    H    VAL  76           H        VAL  76  -5.123   5.695   5.695
   85    HA   VAL  76           HA       VAL  76  -3.003   3.940   3.940
   86    HB   VAL  76           HB       VAL  76  -4.517   2.561   2.561
   87   1HG1  VAL  76          1HG2      VAL  76  -4.547   5.529   5.529
   88   2HG1  VAL  76          3HG2      VAL  76  -5.051   4.348   4.348
   89   3HG1  VAL  76          2HG2      VAL  76  -3.388   4.353   4.353
   90   1HG2  VAL  76          2HG1      VAL  76  -6.546   4.128   4.128
   91   2HG2  VAL  76          1HG1      VAL  76  -6.655   2.534   2.534
   92   3HG2  VAL  76          3HG1      VAL  76  -6.800   3.983   3.983
   93    H    ARG  77           H        ARG  77  -6.014   3.611   3.611
   94    HA   ARG  77           HA       ARG  77  -5.794   0.897   0.897
   95   1HB   ARG  77          1HB       ARG  77  -7.540   3.004   3.004
   96   2HB   ARG  77          2HB       ARG  77  -6.921   2.475   2.475
   97   1HG   ARG  77          1HG       ARG  77  -7.497   0.091   0.091
   98   2HG   ARG  77          2HG       ARG  77  -8.701   1.100   1.100
   99   1HD   ARG  77          2HD       ARG  77  -9.543   1.871   1.871
  100   2HD   ARG  77          1HD       ARG  77  -8.272   1.001   1.001
  101    HE   ARG  77           HE       ARG  77  -9.506  -0.912  -0.912
  102   1HH1  ARG  77          1HH2      ARG  77 -10.707   1.441   1.441
  103   2HH1  ARG  77          2HH2      ARG  77 -12.078   0.488   0.488
  104   1HH2  ARG  77          2HH1      ARG  77 -11.306  -2.176  -2.176
  105   2HH2  ARG  77          1HH1      ARG  77 -12.418  -1.569  -1.569
  106    H    SER  78           H        SER  78  -4.365   3.782   3.782
  107    HA   SER  78           HA       SER  78  -3.174   2.301   2.301
  108   1HB   SER  78          1HB       SER  78  -4.045   4.616   4.616
  109   2HB   SER  78          2HB       SER  78  -2.796   5.206   5.206
  110    HG   SER  78           HG       SER  78  -1.723   5.363   5.363
  111    H    ALA  79           H        ALA  79  -2.410   3.014   3.014
  112    HA   ALA  79           HA       ALA  79  -0.579   2.462   2.462
  113   1HB   ALA  79          3HB       ALA  79  -0.262   0.641   0.641
  114   2HB   ALA  79          2HB       ALA  79   0.866   1.726   1.726
  115   3HB   ALA  79          1HB       ALA  79   1.198   1.180   1.180
  116    H    THR  80           H        THR  80  -0.677   4.864   4.864
  117    HA   THR  80           HA       THR  80   1.881   5.979   5.979
  118    HB   THR  80           HB       THR  80   1.628   6.154   6.154
  119    HG1  THR  80          1HG       THR  80   2.036   8.244   8.244
  120   1HG2  THR  80          3HG2      THR  80  -1.131   6.514   6.514
  121   2HG2  THR  80          2HG2      THR  80  -0.550   7.902   7.902
  122   3HG2  THR  80          1HG2      THR  80  -0.327   6.270   6.270
  123    H    CYS  81           H        CYS  81   0.168   5.855   5.855
  124    HA   CYS  81           HA       CYS  81  -0.894   8.591   8.591
  125   1HB   CYS  81          2HB       CYS  81  -2.138   6.109   6.109
  126   2HB   CYS  81          1HB       CYS  81  -1.807   6.830   6.830
  127    HG   CYS  81           HG       CYS  81  -3.643   8.397   8.397
  128    H    SER  82           H        SER  82  -1.037   9.059   9.059
  129    HA   SER  82           HA       SER  82   1.018   8.108   8.108
  130   1HB   SER  82          2HB       SER  82   2.234  10.496  10.496
  131   2HB   SER  82          1HB       SER  82   2.750   9.137   9.137
  132    HG   SER  82           HG       SER  82   0.769  10.890  10.890
  133    H    PHE  83           H        PHE  83   0.325   8.386   8.386
  134    HA   PHE  83           HA       PHE  83  -1.232  10.808  10.808
  135   1HB   PHE  83          2HB       PHE  83  -2.091   8.164   8.164
  136   2HB   PHE  83          1HB       PHE  83  -1.897   8.483   8.483
  137    HD1  PHE  83           HD1      PHE  83  -2.947  10.792  10.792
  138    HD2  PHE  83           HD2      PHE  83  -4.064   8.681   8.681
  139    HE1  PHE  83           HE1      PHE  83  -5.103  11.977  11.977
  140    HE2  PHE  83           HE2      PHE  83  -6.224   9.862   9.862
  141    HZ   PHE  83           HZ       PHE  83  -6.745  11.512  11.512
  142    H    SER  84           H        SER  84  -0.615  11.925  11.925
  143    HA   SER  84           HA       SER  84   1.786  11.382  11.382
  144   1HB   SER  84          2HB       SER  84   0.690  13.637  13.637
  145   2HB   SER  84          1HB       SER  84  -0.445  13.154  13.154
  146    HG   SER  84           HG       SER  84   1.910  14.228  14.228
  147    H    VAL  85           H        VAL  85   2.099  11.036  11.036
  148    HA   VAL  85           HA       VAL  85   0.073  10.058  10.058
  149    HB   VAL  85           HB       VAL  85  -0.032   8.186   8.186
  150   1HG1  VAL  85          1HG2      VAL  85   2.922   8.051   8.051
  151   2HG1  VAL  85          3HG2      VAL  85   2.015   6.647   6.647
  152   3HG1  VAL  85          2HG2      VAL  85   2.064   8.111   8.111
  153   1HG2  VAL  85          2HG1      VAL  85  -0.363   7.814   7.814
  154   2HG2  VAL  85          1HG1      VAL  85   0.224   6.386   6.386
  155   3HG2  VAL  85          3HG1      VAL  85   1.335   7.347   7.347
  156    H    LYS  86           H        LYS  86   0.885   9.140   9.140
  157    HA   LYS  86           HA       LYS  86   3.672   9.929   9.929
  158   1HB   LYS  86          2HB       LYS  86   1.267   9.768   9.768
  159   2HB   LYS  86          1HB       LYS  86   2.908   9.989   9.989
  160   1HG   LYS  86          1HG       LYS  86   2.708  11.960  11.960
  161   2HG   LYS  86          2HG       LYS  86   1.076  11.906  11.906
  162   1HD   LYS  86          2HD       LYS  86   2.775  11.731  11.731
  163   2HD   LYS  86          1HD       LYS  86   3.510  12.946  12.946
  164   1HE   LYS  86          2HE       LYS  86   1.448  14.200  14.200
  165   2HE   LYS  86          1HE       LYS  86   0.620  12.946  12.946
  166   1HZ   LYS  86          1HZ       LYS  86   2.988  13.989  13.989
  167   2HZ   LYS  86          3HZ       LYS  86   1.762  15.135  15.135
  168   3HZ   LYS  86          2HZ       LYS  86   1.448  13.707  13.707
  169    H    TYR  87           H        TYR  87   3.878   7.675   7.675
  170    HA   TYR  87           HA       TYR  87   3.167   5.315   5.315
  171   1HB   TYR  87          1HB       TYR  87   4.071   5.398   5.398
  172   2HB   TYR  87          2HB       TYR  87   5.640   5.893   5.893
  173    HD1  TYR  87           HD1      TYR  87   3.229   3.190   3.190
  174    HD2  TYR  87           HD2      TYR  87   7.188   4.212   4.212
  175    HE1  TYR  87           HE1      TYR  87   3.887   0.830   0.830
  176    HE2  TYR  87           HE2      TYR  87   7.857   1.854   1.854
  177    HH   TYR  87           HH2      TYR  87   7.173  -0.173  -0.173
  178    H    LEU  88           H        LEU  88   3.657   4.512   4.512
  179    HA   LEU  88           HA       LEU  88   5.515   5.632   5.632
  180   1HB   LEU  88          1HB       LEU  88   3.924   3.111   3.111
  181   2HB   LEU  88          2HB       LEU  88   5.212   3.243   3.243
  182    HG   LEU  88           HG       LEU  88   4.161   5.170   5.170
  183   1HD1  LEU  88          3HD2      LEU  88   2.094   4.913   4.913
  184   2HD1  LEU  88          2HD2      LEU  88   1.981   5.988   5.988
  185   3HD1  LEU  88          1HD2      LEU  88   3.254   6.226   6.226
  186   1HD2  LEU  88          2HD1      LEU  88   2.773   2.613   2.613
  187   2HD2  LEU  88          1HD1      LEU  88   3.179   3.519   3.519
  188   3HD2  LEU  88          3HD1      LEU  88   1.736   3.936   3.936
  189    H    GLY  89           H        GLY  89   5.723   2.783   2.783
  190   1HA   GLY  89          2HA       GLY  89   8.113   2.644   2.644
  191   2HA   GLY  89          1HA       GLY  89   8.555   2.488   2.488
  192    H    CYS  90           H        CYS  90   9.491   0.421   0.421
  193    HA   CYS  90           HA       CYS  90   7.441  -1.668  -1.668
  194   1HB   CYS  90          2HB       CYS  90  10.261  -2.361  -2.361
  195   2HB   CYS  90          1HB       CYS  90   8.783  -2.867  -2.867
  196    HG   CYS  90           HG       CYS  90  10.189  -0.153  -0.153
  197    H    VAL  91           H        VAL  91   7.521  -3.493  -3.493
  198    HA   VAL  91           HA       VAL  91   9.523  -3.572  -3.572
  199    HB   VAL  91           HB       VAL  91   6.941  -2.632  -2.632
  200   1HG1  VAL  91          1HG2      VAL  91   6.234  -5.085  -5.085
  201   2HG1  VAL  91          3HG2      VAL  91   7.079  -5.234  -5.234
  202   3HG1  VAL  91          2HG2      VAL  91   5.725  -4.116  -4.116
  203   1HG2  VAL  91          2HG1      VAL  91   9.174  -2.383  -2.383
  204   2HG2  VAL  91          1HG1      VAL  91   7.668  -2.249  -2.249
  205   3HG2  VAL  91          3HG1      VAL  91   8.603  -3.743  -3.743
  206    H    GLU  92           H        GLU  92   9.172  -5.719  -5.719
  207    HA   GLU  92           HA       GLU  92   8.998  -7.843  -7.843
  208   1HB   GLU  92          2HB       GLU  92  10.145  -9.180  -9.180
  209   2HB   GLU  92          1HB       GLU  92  11.084  -7.969  -7.969
  210   1HG   GLU  92          2HG       GLU  92   9.675  -7.033  -7.033
  211   2HG   GLU  92          1HG       GLU  92  10.998  -8.171  -8.171
  212    H    VAL  93           H        VAL  93   7.806  -9.729  -9.729
  213    HA   VAL  93           HA       VAL  93   6.097  -9.887  -9.887
  214    HB   VAL  93           HB       VAL  93   4.116 -10.429 -10.429
  215   1HG1  VAL  93          1HG1      VAL  93   4.645  -8.256  -8.256
  216   2HG1  VAL  93          3HG1      VAL  93   4.901  -7.559  -7.559
  217   3HG1  VAL  93          2HG1      VAL  93   3.337  -8.258  -8.258
  218   1HG2  VAL  93          1HG2      VAL  93   5.633 -10.522 -10.522
  219   2HG2  VAL  93          3HG2      VAL  93   4.079  -9.704  -9.704
  220   3HG2  VAL  93          2HG2      VAL  93   5.556  -8.760  -8.760
  221    H    PHE  94           H        PHE  94   4.919 -11.983 -11.983
  222    HA   PHE  94           HA       PHE  94   6.716 -14.106 -14.106
  223   1HB   PHE  94          2HB       PHE  94   4.115 -14.369 -14.369
  224   2HB   PHE  94          1HB       PHE  94   5.458 -15.506 -15.506
  225    HD1  PHE  94           HD2      PHE  94   7.592 -13.236 -13.236
  226    HD2  PHE  94           HD1      PHE  94   4.085 -14.230 -14.230
  227    HE1  PHE  94           HE2      PHE  94   8.547 -12.166 -12.166
  228    HE2  PHE  94           HE1      PHE  94   5.034 -13.161 -13.161
  229    HZ   PHE  94           HZ       PHE  94   7.268 -12.127 -12.127
  230    H    GLU  95           H        GLU  95   4.164 -12.629 -12.629
  231    HA   GLU  95           HA       GLU  95   3.887 -14.858 -14.858
  232   1HB   GLU  95          1HB       GLU  95   1.713 -13.983 -13.983
  233   2HB   GLU  95          2HB       GLU  95   1.263 -14.319 -14.319
  234   1HG   GLU  95          2HG       GLU  95   2.529 -16.198 -16.198
  235   2HG   GLU  95          1HG       GLU  95   0.918 -16.297 -16.297
  236    H    SER  96           H        SER  96   3.872 -14.112 -14.112
  237    HA   SER  96           HA       SER  96   3.396 -11.260 -11.260
  238   1HB   SER  96          1HB       SER  96   4.290 -11.915 -11.915
  239   2HB   SER  96          2HB       SER  96   5.420 -11.837 -11.837
  240    HG   SER  96           HG       SER  96   5.407 -13.788 -13.788
  241    H    ARG  97           H        ARG  97   1.244 -13.239 -13.239
  242    HA   ARG  97           HA       ARG  97  -0.396 -12.486 -12.486
  243   1HB   ARG  97          2HB       ARG  97   0.670 -14.723 -14.723
  244   2HB   ARG  97          1HB       ARG  97  -0.235 -15.386 -15.386
  245   1HG   ARG  97          2HG       ARG  97  -2.112 -14.013 -14.013
  246   2HG   ARG  97          1HG       ARG  97  -1.087 -14.871 -14.871
  247   1HD   ARG  97          2HD       ARG  97  -1.933 -16.398 -16.398
  248   2HD   ARG  97          1HD       ARG  97  -3.206 -15.983 -15.983
  249    HE   ARG  97           HE       ARG  97  -0.968 -17.055 -17.055
  250   1HH1  ARG  97          1HH1      ARG  97  -3.637 -17.980 -17.980
  251   2HH1  ARG  97          2HH1      ARG  97  -3.723 -19.593 -19.593
  252   1HH2  ARG  97          2HH2      ARG  97  -1.071 -19.174 -19.174
  253   2HH2  ARG  97          1HH2      ARG  97  -2.263 -20.273 -20.273
  254    H    GLY  98           H        GLY  98  -2.626 -12.532 -12.532
  255   1HA   GLY  98          1HA       GLY  98  -4.448 -13.273 -13.273
  256   2HA   GLY  98          2HA       GLY  98  -3.335 -13.079 -13.079
  257    H    MET  99           H        MET  99  -4.614 -11.635 -11.635
  258    HA   MET  99           HA       MET  99  -4.579  -8.915  -8.915
  259   1HB   MET  99          2HB       MET  99  -6.859 -10.224 -10.224
  260   2HB   MET  99          1HB       MET  99  -7.089  -9.797  -9.797
  261   1HG   MET  99          1HG       MET  99  -6.199  -7.532  -7.532
  262   2HG   MET  99          2HG       MET  99  -7.674  -8.238  -8.238
  263   1HE   MET  99          2HE       MET  99  -6.231  -5.813  -5.813
  264   2HE   MET  99          1HE       MET  99  -7.560  -5.037  -5.037
  265   3HE   MET  99          3HE       MET  99  -6.462  -6.114  -6.114
  266    H    GLN 100           H        GLN 100  -5.395 -10.995 -10.995
  267    HA   GLN 100           HA       GLN 100  -5.385  -9.102  -9.102
  268   1HB   GLN 100          2HB       GLN 100  -5.137 -11.988 -11.988
  269   2HB   GLN 100          1HB       GLN 100  -4.164 -11.344 -11.344
  270   1HG   GLN 100          2HG       GLN 100  -6.617 -10.030 -10.030
  271   2HG   GLN 100          1HG       GLN 100  -7.009 -11.713 -11.713
  272   1HE2  GLN 100          2HE2      GLN 100  -6.797 -12.349 -12.349
  273   2HE2  GLN 100          1HE2      GLN 100  -7.754 -12.322 -12.322
  274    H    VAL 101           H        VAL 101  -2.728 -10.429 -10.429
  275    HA   VAL 101           HA       VAL 101  -0.645  -9.741  -9.741
  276    HB   VAL 101           HB       VAL 101  -0.487 -10.035 -10.035
  277   1HG1  VAL 101          2HG1      VAL 101   1.538  -9.751  -9.751
  278   2HG1  VAL 101          1HG1      VAL 101   1.906 -10.799 -10.799
  279   3HG1  VAL 101          3HG1      VAL 101   1.534  -9.096  -9.096
  280   1HG2  VAL 101          1HG2      VAL 101  -1.026 -11.967 -11.967
  281   2HG2  VAL 101          3HG2      VAL 101  -0.868 -12.202 -12.202
  282   3HG2  VAL 101          2HG2      VAL 101   0.557 -12.292 -12.292
  283    H    CYS 102           H        CYS 102  -2.284  -8.042  -8.042
  284    HA   CYS 102           HA       CYS 102  -0.523  -5.820  -5.820
  285   1HB   CYS 102          2HB       CYS 102  -3.450  -5.911  -5.911
  286   2HB   CYS 102          1HB       CYS 102  -2.260  -4.734  -4.734
  287    HG   CYS 102           HG       CYS 102  -1.212  -6.492  -6.492
  288    H    GLU 103           H        GLU 103  -3.280  -6.648  -6.648
  289    HA   GLU 103           HA       GLU 103  -3.786  -4.067  -4.067
  290   1HB   GLU 103          1HB       GLU 103  -4.654  -6.815  -6.815
  291   2HB   GLU 103          2HB       GLU 103  -4.570  -5.826  -5.826
  292   1HG   GLU 103          2HG       GLU 103  -5.830  -4.208  -4.208
  293   2HG   GLU 103          1HG       GLU 103  -6.509  -5.813  -5.813
  294    H    GLU 104           H        GLU 104  -1.704  -6.735  -6.735
  295    HA   GLU 104           HA       GLU 104  -0.824  -5.372  -5.372
  296   1HB   GLU 104          1HB       GLU 104   0.621  -7.295  -7.295
  297   2HB   GLU 104          2HB       GLU 104  -1.000  -7.836  -7.836
  298   1HG   GLU 104          1HG       GLU 104  -0.347  -8.424  -8.424
  299   2HG   GLU 104          2HG       GLU 104   1.203  -7.600  -7.600
  300    H    ALA 105           H        ALA 105   0.309  -5.910  -5.910
  301    HA   ALA 105           HA       ALA 105   2.972  -5.118  -5.118
  302   1HB   ALA 105          1HB       ALA 105   1.929  -6.149  -6.149
  303   2HB   ALA 105          3HB       ALA 105   1.236  -4.571  -4.571
  304   3HB   ALA 105          2HB       ALA 105   2.987  -4.777  -4.777
  305    H    LEU 106           H        LEU 106   0.195  -3.137  -3.137
  306    HA   LEU 106           HA       LEU 106   1.419  -0.681  -0.681
  307   1HB   LEU 106          1HB       LEU 106  -1.128  -1.560  -1.560
  308   2HB   LEU 106          2HB       LEU 106  -1.255  -0.679  -0.679
  309    HG   LEU 106           HG       LEU 106   0.025   0.658   0.658
  310   1HD1  LEU 106          1HD1      LEU 106  -2.176  -0.451  -0.451
  311   2HD1  LEU 106          3HD1      LEU 106  -2.946   0.710   0.710
  312   3HD1  LEU 106          2HD1      LEU 106  -2.003   1.279   1.279
  313   1HD2  LEU 106          2HD2      LEU 106  -1.038   1.372   1.372
  314   2HD2  LEU 106          1HD2      LEU 106   0.091   2.239   2.239
  315   3HD2  LEU 106          3HD2      LEU 106  -1.646   2.404   2.404
  316    H    LYS 107           H        LYS 107   0.076  -2.280  -2.280
  317    HA   LYS 107           HA       LYS 107   0.451  -0.210  -0.210
  318   1HB   LYS 107          2HB       LYS 107  -0.861  -2.132  -2.132
  319   2HB   LYS 107          1HB       LYS 107   0.501  -3.212  -3.212
  320   1HG   LYS 107          1HG       LYS 107   0.642  -1.047  -1.047
  321   2HG   LYS 107          2HG       LYS 107  -0.158  -2.581  -2.581
  322   1HD   LYS 107          2HD       LYS 107   2.332  -3.164  -3.164
  323   2HD   LYS 107          1HD       LYS 107   2.622  -1.975  -1.975
  324   1HE   LYS 107          2HE       LYS 107   0.854  -4.281  -4.281
  325   2HE   LYS 107          1HE       LYS 107   2.588  -4.575  -4.575
  326   1HZ   LYS 107          1HZ       LYS 107   1.324  -2.549  -2.549
  327   2HZ   LYS 107          3HZ       LYS 107   1.890  -4.060  -4.060
  328   3HZ   LYS 107          2HZ       LYS 107   2.975  -2.905  -2.905
  329    H    VAL 108           H        VAL 108   2.642  -2.704  -2.704
  330    HA   VAL 108           HA       VAL 108   4.766  -2.153  -2.153
  331    HB   VAL 108           HB       VAL 108   5.158  -3.256  -3.256
  332   1HG1  VAL 108          1HG1      VAL 108   6.569  -3.477  -3.477
  333   2HG1  VAL 108          3HG1      VAL 108   6.795  -4.691  -4.691
  334   3HG1  VAL 108          2HG1      VAL 108   7.215  -3.007  -3.007
  335   1HG2  VAL 108          1HG2      VAL 108   3.463  -4.324  -4.324
  336   2HG2  VAL 108          3HG2      VAL 108   3.735  -4.908  -4.908
  337   3HG2  VAL 108          2HG2      VAL 108   4.808  -5.415  -5.415
  338    H    LEU 109           H        LEU 109   4.016  -1.033  -1.033
  339    HA   LEU 109           HA       LEU 109   6.323   0.389   0.389
  340   1HB   LEU 109          1HB       LEU 109   3.454   0.785   0.785
  341   2HB   LEU 109          2HB       LEU 109   4.670   1.939   1.939
  342    HG   LEU 109           HG       LEU 109   4.397   0.446   0.446
  343   1HD1  LEU 109          1HD2      LEU 109   6.782   0.921   0.921
  344   2HD1  LEU 109          3HD2      LEU 109   6.766  -0.794  -0.794
  345   3HD1  LEU 109          2HD2      LEU 109   6.555  -0.284  -0.284
  346   1HD2  LEU 109          3HD1      LEU 109   3.238  -1.305  -1.305
  347   2HD2  LEU 109          2HD1      LEU 109   4.349  -1.922  -1.922
  348   3HD2  LEU 109          1HD1      LEU 109   4.833  -1.889  -1.889
  349    H    ARG 110           H        ARG 110   3.846   1.084   1.084
  350    HA   ARG 110           HA       ARG 110   4.667   3.865   3.865
  351   1HB   ARG 110          1HB       ARG 110   2.259   2.483   2.483
  352   2HB   ARG 110          2HB       ARG 110   2.795   2.951   2.951
  353   1HG   ARG 110          2HG       ARG 110   2.933   5.042   5.042
  354   2HG   ARG 110          1HG       ARG 110   1.318   4.521   4.521
  355   1HD   ARG 110          1HD       ARG 110   3.361   5.158   5.158
  356   2HD   ARG 110          2HD       ARG 110   2.510   6.469   6.469
  357    HE   ARG 110           HE       ARG 110   0.748   4.455   4.455
  358   1HH1  ARG 110          1HH1      ARG 110   2.556   7.319   7.319
  359   2HH1  ARG 110          2HH1      ARG 110   1.524   7.757   7.757
  360   1HH2  ARG 110          1HH2      ARG 110  -0.617   5.021   5.021
  361   2HH2  ARG 110          2HH2      ARG 110  -0.280   6.450   6.450
  362    H    GLN 111           H        GLN 111   4.532   0.910   0.910
  363    HA   GLN 111           HA       GLN 111   5.798   2.097   2.097
  364   1HB   GLN 111          2HB       GLN 111   5.780  -0.083  -0.083
  365   2HB   GLN 111          1HB       GLN 111   4.287   0.089   0.089
  366   1HG   GLN 111          2HG       GLN 111   4.764  -1.814  -1.814
  367   2HG   GLN 111          1HG       GLN 111   6.121  -1.002  -1.002
  368   1HE2  GLN 111          2HE2      GLN 111   6.748  -3.459  -3.459
  369   2HE2  GLN 111          1HE2      GLN 111   5.194  -2.765  -2.765
  370    H    SER 112           H        SER 112   7.058   1.139   1.139
  371    HA   SER 112           HA       SER 112   9.698   0.592   0.592
  372   1HB   SER 112          1HB       SER 112   8.271  -0.667  -0.667
  373   2HB   SER 112          2HB       SER 112   9.628   0.158   0.158
  374    HG   SER 112           HG       SER 112   9.766  -1.659  -1.659
  375    H    ARG 113           H        ARG 113  11.542   1.345   1.345
  376    HA   ARG 113           HA       ARG 113  11.652   4.112   4.112
  377   1HB   ARG 113          2HB       ARG 113  13.631   3.881   3.881
  378   2HB   ARG 113          1HB       ARG 113  13.652   2.721   2.721
  379   1HG   ARG 113          2HG       ARG 113  14.122   1.212   1.212
  380   2HG   ARG 113          1HG       ARG 113  12.411   1.314   1.314
  381   1HD   ARG 113          1HD       ARG 113  13.657   1.574   1.574
  382   2HD   ARG 113          2HD       ARG 113  13.000   3.155   3.155
  383    HE   ARG 113           HE       ARG 113  15.489   3.132   3.132
  384   1HH1  ARG 113          1HH1      ARG 113  14.225   2.628   2.628
  385   2HH1  ARG 113          2HH1      ARG 113  15.640   3.230   3.230
  386   1HH2  ARG 113          1HH2      ARG 113  17.360   3.928   3.928
  387   2HH2  ARG 113          2HH2      ARG 113  17.424   3.970   3.970
  388    H    ARG 114           H        ARG 114  10.222   1.960   1.960
  389    HA   ARG 114           HA       ARG 114  10.214   3.238   3.238
  390   1HB   ARG 114          2HB       ARG 114   7.912   1.905   1.905
  391   2HB   ARG 114          1HB       ARG 114   7.840   2.394   2.394
  392   1HG   ARG 114          2HG       ARG 114   9.916   0.510   0.510
  393   2HG   ARG 114          1HG       ARG 114   8.375  -0.024  -0.024
  394   1HD   ARG 114          1HD       ARG 114   9.067   0.288   0.288
  395   2HD   ARG 114          2HD       ARG 114   9.782   1.854   1.854
  396    HE   ARG 114           HE       ARG 114  11.302  -0.400  -0.400
  397   1HH1  ARG 114          1HH1      ARG 114  10.722   1.768   1.768
  398   2HH1  ARG 114          2HH1      ARG 114  12.283   1.523   1.523
  399   1HH2  ARG 114          1HH2      ARG 114  13.362  -0.730  -0.730
  400   2HH2  ARG 114          2HH2      ARG 114  13.785   0.104   0.104
  401    H    ARG 115           H        ARG 115   9.955   5.323   5.323
  402    HA   ARG 115           HA       ARG 115   7.848   6.831   6.831
  403   1HB   ARG 115          2HB       ARG 115   9.998   7.692   7.692
  404   2HB   ARG 115          1HB       ARG 115  10.530   7.758   7.758
  405   1HG   ARG 115          2HG       ARG 115   8.649   9.433   9.433
  406   2HG   ARG 115          1HG       ARG 115   8.541   9.516   9.516
  407   1HD   ARG 115          2HD       ARG 115  10.836  10.237  10.237
  408   2HD   ARG 115          1HD       ARG 115  11.054  10.024  10.024
  409    HE   ARG 115           HE       ARG 115   8.957  11.812  11.812
  410   1HH1  ARG 115          1HH1      ARG 115  12.369  11.641  11.641
  411   2HH1  ARG 115          2HH1      ARG 115  12.613  13.351  13.351
  412   1HH2  ARG 115          1HH2      ARG 115   9.267  14.068  14.068
  413   2HH2  ARG 115          2HH2      ARG 115  10.850  14.731  14.731
  414    HA   PRO 116           HA       PRO 116   5.661   7.546   7.546
  415   1HB   PRO 116          2HB       PRO 116   5.578  10.380  10.380
  416   2HB   PRO 116          1HB       PRO 116   4.261   9.337   9.337
  417   1HG   PRO 116          1HG       PRO 116   4.594   9.836   9.836
  418   2HG   PRO 116          2HG       PRO 116   4.122   8.220   8.220
  419   1HD   PRO 116          2HD       PRO 116   6.764   9.193   9.193
  420   2HD   PRO 116          1HD       PRO 116   6.002   7.602   7.602
  421    H    VAL 117           H        VAL 117   5.887   8.540   8.540
  422    HA   VAL 117           HA       VAL 117   8.355  10.102  10.102
  423    HB   VAL 117           HB       VAL 117   8.637   7.748   7.748
  424   1HG1  VAL 117          3HG2      VAL 117   6.129   7.808   7.808
  425   2HG1  VAL 117          2HG2      VAL 117   6.925   8.274   8.274
  426   3HG1  VAL 117          1HG2      VAL 117   7.342   6.750   6.750
  427   1HG2  VAL 117          1HG1      VAL 117   9.196  10.167  10.167
  428   2HG2  VAL 117          3HG1      VAL 117  10.163   8.698   8.698
  429   3HG2  VAL 117          2HG1      VAL 117   8.946   8.852   8.852
  430    H    ARG 118           H        ARG 118   7.745  12.085  12.085
  431    HA   ARG 118           HA       ARG 118   5.268  12.684  12.684
  432   1HB   ARG 118          2HB       ARG 118   6.540  14.232  14.232
  433   2HB   ARG 118          1HB       ARG 118   7.710  14.454  14.454
  434   1HG   ARG 118          2HG       ARG 118   5.173  14.938  14.938
  435   2HG   ARG 118          1HG       ARG 118   5.226  15.786  15.786
  436   1HD   ARG 118          1HD       ARG 118   7.252  16.921  16.921
  437   2HD   ARG 118          2HD       ARG 118   7.351  15.987  15.987
  438    HE   ARG 118           HE       ARG 118   4.898  17.383  17.383
  439   1HH1  ARG 118          1HH1      ARG 118   8.308  17.886  17.886
  440   2HH1  ARG 118          2HH1      ARG 118   8.088  19.291  19.291
  441   1HH2  ARG 118          1HH2      ARG 118   4.598  19.232  19.232
  442   2HH2  ARG 118          2HH2      ARG 118   5.979  20.056  20.056
  443    H    GLY 119           H        GLY 119   5.699  11.044  11.044
  444   1HA   GLY 119          2HA       GLY 119   7.142  12.363  12.363
  445   2HA   GLY 119          1HA       GLY 119   7.234  10.632  10.632
  446    H    LEU 120           H        LEU 120   6.560  10.619  10.619
  447    HA   LEU 120           HA       LEU 120   3.635  10.849  10.849
  448   1HB   LEU 120          1HB       LEU 120   4.717  12.496  12.496
  449   2HB   LEU 120          2HB       LEU 120   5.834  11.307  11.307
  450    HG   LEU 120           HG       LEU 120   3.930  12.071  12.071
  451   1HD1  LEU 120          3HD1      LEU 120   5.301   9.684   9.684
  452   2HD1  LEU 120          2HD1      LEU 120   3.616   9.191   9.191
  453   3HD1  LEU 120          1HD1      LEU 120   4.353  10.228  10.228
  454   1HD2  LEU 120          1HD2      LEU 120   2.259  11.780  11.780
  455   2HD2  LEU 120          3HD2      LEU 120   1.777  11.274  11.274
  456   3HD2  LEU 120          2HD2      LEU 120   2.290  10.071  10.071
  457    H    LEU 121           H        LEU 121   2.644   8.941   8.941
  458    HA   LEU 121           HA       LEU 121   4.139   6.544   6.544
  459   1HB   LEU 121          1HB       LEU 121   2.436   6.265   6.265
  460   2HB   LEU 121          2HB       LEU 121   1.260   7.125   7.125
  461    HG   LEU 121           HG       LEU 121   0.941   5.280   5.280
  462   1HD1  LEU 121          3HD1      LEU 121   3.633   4.605   4.605
  463   2HD1  LEU 121          2HD1      LEU 121   2.560   3.207   3.207
  464   3HD1  LEU 121          1HD1      LEU 121   2.726   4.113   4.113
  465   1HD2  LEU 121          2HD2      LEU 121   1.161   4.479   4.479
  466   2HD2  LEU 121          1HD2      LEU 121  -0.281   4.891   4.891
  467   3HD2  LEU 121          3HD2      LEU 121   0.557   3.369   3.369
  468    H    HIS 122           H        HIS 122   4.904   7.016   7.016
  469    HA   HIS 122           HA       HIS 122   3.249   7.673   7.673
  470   1HB   HIS 122          2HB       HIS 122   5.998   7.336   7.336
  471   2HB   HIS 122          1HB       HIS 122   5.594   6.188   6.188
  472    HD1  HIS 122           HD1      HIS 122   3.930   7.516   7.516
  473    HD2  HIS 122           HD2      HIS 122   6.738   9.671   9.671
  474    HE1  HIS 122           HE1      HIS 122   4.388   9.622   9.622
  475    H    VAL 123           H        VAL 123   1.463   6.183   6.183
  476    HA   VAL 123           HA       VAL 123   1.854   3.379   3.379
  477    HB   VAL 123           HB       VAL 123  -0.448   3.125   3.125
  478   1HG1  VAL 123          2HG2      VAL 123   0.530   5.203   5.203
  479   2HG1  VAL 123          1HG2      VAL 123  -1.207   5.312   5.312
  480   3HG1  VAL 123          3HG2      VAL 123  -0.502   3.818   3.818
  481   1HG2  VAL 123          2HG1      VAL 123  -0.478   5.665   5.665
  482   2HG2  VAL 123          1HG1      VAL 123  -1.474   4.223   4.223
  483   3HG2  VAL 123          3HG1      VAL 123  -1.853   5.386   5.386
  484    H    SER 124           H        SER 124   0.508   2.400   2.400
  485    HA   SER 124           HA       SER 124   0.501   3.804   3.804
  486   1HB   SER 124          1HB       SER 124   2.495   3.222   3.222
  487   2HB   SER 124          2HB       SER 124   3.032   3.596   3.596
  488    HG   SER 124           HG       SER 124   2.595   1.039   1.039
  489    H    GLY 125           H        GLY 125  -1.041   1.808   1.808
  490   1HA   GLY 125          2HA       GLY 125  -2.103  -0.229  -0.229
  491   2HA   GLY 125          1HA       GLY 125  -2.204   0.342   0.342
  492    H    ASP 126           H        ASP 126   0.783  -0.460  -0.460
  493    HA   ASP 126           HA       ASP 126   1.035  -3.102  -3.102
  494   1HB   ASP 126          1HB       ASP 126   1.385  -1.196  -1.196
  495   2HB   ASP 126          2HB       ASP 126   3.025  -1.629  -1.629
  496    H    GLY 127           H        GLY 127   2.636  -0.126  -0.126
  497   1HA   GLY 127          2HA       GLY 127   4.294  -1.719  -1.719
  498   2HA   GLY 127          1HA       GLY 127   5.159  -0.787  -0.787
  499    H    LEU 128           H        LEU 128   4.112  -0.772  -0.772
  500    HA   LEU 128           HA       LEU 128   3.614   2.094   2.094
  501   1HB   LEU 128          1HB       LEU 128   3.888   0.292   0.292
  502   2HB   LEU 128          2HB       LEU 128   2.920   1.742   1.742
  503    HG   LEU 128           HG       LEU 128   2.191  -0.577  -0.577
  504   1HD1  LEU 128          1HD1      LEU 128   2.239  -0.647  -0.647
  505   2HD1  LEU 128          3HD1      LEU 128   0.713  -1.120  -1.120
  506   3HD1  LEU 128          2HD1      LEU 128   2.202  -1.966  -1.966
  507   1HD2  LEU 128          1HD2      LEU 128   0.801   1.667   1.667
  508   2HD2  LEU 128          3HD2      LEU 128   0.812   1.268   1.268
  509   3HD2  LEU 128          2HD2      LEU 128  -0.099   0.268   0.268
  510    H    ARG 129           H        ARG 129   5.103   3.560   3.560
  511    HA   ARG 129           HA       ARG 129   7.588   2.638   2.638
  512   1HB   ARG 129          1HB       ARG 129   7.441   4.528   4.528
  513   2HB   ARG 129          2HB       ARG 129   8.903   4.085   4.085
  514   1HG   ARG 129          1HG       ARG 129   7.627   1.691   1.691
  515   2HG   ARG 129          2HG       ARG 129   7.683   2.782   2.782
  516   1HD   ARG 129          1HD       ARG 129  10.168   2.750   2.750
  517   2HD   ARG 129          2HD       ARG 129   9.733   1.162   1.162
  518    HE   ARG 129           HE       ARG 129  10.755   3.324   3.324
  519   1HH1  ARG 129          1HH1      ARG 129   8.345   0.818   0.818
  520   2HH1  ARG 129          2HH1      ARG 129   8.385   0.729   0.729
  521   1HH2  ARG 129          1HH2      ARG 129  10.817   3.216   3.216
  522   2HH2  ARG 129          2HH2      ARG 129   9.790   2.093   2.093
  523    H    VAL 130           H        VAL 130   6.948   3.512   3.512
  524    HA   VAL 130           HA       VAL 130   6.026   6.199   6.199
  525    HB   VAL 130           HB       VAL 130   5.372   4.608   4.608
  526   1HG1  VAL 130          1HG2      VAL 130   8.196   3.914   3.914
  527   2HG1  VAL 130          3HG2      VAL 130   7.542   4.063   4.063
  528   3HG1  VAL 130          2HG2      VAL 130   6.798   2.953   2.953
  529   1HG2  VAL 130          2HG1      VAL 130   6.530   7.090   7.090
  530   2HG2  VAL 130          1HG1      VAL 130   5.352   6.195   6.195
  531   3HG2  VAL 130          3HG1      VAL 130   7.076   5.986   5.986
  532    H    VAL 131           H        VAL 131   7.364   7.774   7.774
  533    HA   VAL 131           HA       VAL 131  10.197   7.659   7.659
  534    HB   VAL 131           HB       VAL 131   8.651   9.684   9.684
  535   1HG1  VAL 131          1HG1      VAL 131  11.597   9.422   9.422
  536   2HG1  VAL 131          3HG1      VAL 131  10.944  10.377  10.377
  537   3HG1  VAL 131          2HG1      VAL 131  10.546  10.800  10.800
  538   1HG2  VAL 131          3HG2      VAL 131   9.598   7.091   7.091
  539   2HG2  VAL 131          2HG2      VAL 131   8.825   8.274   8.274
  540   3HG2  VAL 131          1HG2      VAL 131  10.581   8.268   8.268
  541    H    ASP 132           H        ASP 132  11.190   8.916   8.916
  542    HA   ASP 132           HA       ASP 132   9.561  10.332  10.332
  543   1HB   ASP 132          1HB       ASP 132  12.530  10.562  10.562
  544   2HB   ASP 132          2HB       ASP 132  11.392  10.292  10.292
  545    H    ASP 133           H        ASP 133   9.361  12.521  12.521
  546    HA   ASP 133           HA       ASP 133  10.255  14.149  14.149
  547   1HB   ASP 133          2HB       ASP 133   7.917  14.162  14.162
  548   2HB   ASP 133          1HB       ASP 133   8.727  15.281  15.281
  549    H    GLU 134           H        GLU 134  12.018  13.171  13.171
  550    HA   GLU 134           HA       GLU 134  13.148  15.816  15.816
  551   1HB   GLU 134          1HB       GLU 134  12.216  14.262  14.262
  552   2HB   GLU 134          2HB       GLU 134  13.723  13.387  13.387
  553   1HG   GLU 134          2HG       GLU 134  14.937  14.956  14.956
  554   2HG   GLU 134          1HG       GLU 134  14.054  16.278  16.278
  555    H    THR 135           H        THR 135  13.802  12.504  12.504
  556    HA   THR 135           HA       THR 135  16.540  13.315  13.315
  557    HB   THR 135           HB       THR 135  17.120  10.884  10.884
  558    HG1  THR 135          1HG       THR 135  15.051  10.001  10.001
  559   1HG2  THR 135          2HG2      THR 135  17.276  12.656  12.656
  560   2HG2  THR 135          1HG2      THR 135  15.993  11.682  11.682
  561   3HG2  THR 135          3HG2      THR 135  17.547  10.944  10.944
  562    H    LYS 136           H        LYS 136  13.533  12.195  12.195
  563    HA   LYS 136           HA       LYS 136  12.781  11.688  11.688
  564   1HB   LYS 136          1HB       LYS 136  15.368  13.046  13.046
  565   2HB   LYS 136          2HB       LYS 136  14.673  12.116  12.116
  566   1HG   LYS 136          1HG       LYS 136  13.928  14.342  14.342
  567   2HG   LYS 136          2HG       LYS 136  12.552  13.413  13.413
  568   1HD   LYS 136          2HD       LYS 136  12.631  14.380  14.380
  569   2HD   LYS 136          1HD       LYS 136  14.336  14.812  14.812
  570   1HE   LYS 136          1HE       LYS 136  12.447  16.071  16.071
  571   2HE   LYS 136          2HE       LYS 136  12.363  16.598  16.598
  572   1HZ   LYS 136          1HZ       LYS 136  15.003  16.447  16.447
  573   2HZ   LYS 136          3HZ       LYS 136  13.987  17.716  17.716
  574   3HZ   LYS 136          2HZ       LYS 136  14.415  17.531  17.531
  575    H    GLY 137           H        GLY 137  13.939   9.644   9.644
  576   1HA   GLY 137          2HA       GLY 137  15.225   7.913   7.913
  577   2HA   GLY 137          1HA       GLY 137  15.301   7.667   7.667
  578    H    LEU 138           H        LEU 138  14.629   5.445   5.445
  579    HA   LEU 138           HA       LEU 138  11.699   5.332   5.332
  580   1HB   LEU 138          2HB       LEU 138  13.566   4.247   4.247
  581   2HB   LEU 138          1HB       LEU 138  13.042   2.882   2.882
  582    HG   LEU 138           HG       LEU 138  11.484   2.712   2.712
  583   1HD1  LEU 138          1HD1      LEU 138  10.336   3.564   3.564
  584   2HD1  LEU 138          3HD1      LEU 138   9.999   4.997   4.997
  585   3HD1  LEU 138          2HD1      LEU 138   9.412   3.418   3.418
  586   1HD2  LEU 138          3HD2      LEU 138  12.214   5.512   5.512
  587   2HD2  LEU 138          2HD2      LEU 138  12.037   4.146   4.146
  588   3HD2  LEU 138          1HD2      LEU 138  10.609   5.004   5.004
  589    H    ILE 139           H        ILE 139  10.635   4.237   4.237
  590    HA   ILE 139           HA       ILE 139  12.244   2.911   2.911
  591    HB   ILE 139           HB       ILE 139   9.322   3.516   3.516
  592   1HG1  ILE 139          2HG1      ILE 139  11.620   5.429   5.429
  593   2HG1  ILE 139          1HG1      ILE 139  10.360   5.613   5.613
  594   1HG2  ILE 139          1HG2      ILE 139  11.231   2.307   2.307
  595   2HG2  ILE 139          3HG2      ILE 139  11.023   3.921   3.921
  596   3HG2  ILE 139          2HG2      ILE 139   9.628   2.860   2.860
  597   1HD1  ILE 139          3HD1      ILE 139   9.901   5.603   5.603
  598   2HD1  ILE 139          2HD1      ILE 139  10.007   7.042   7.042
  599   3HD1  ILE 139          1HD1      ILE 139   8.693   5.889   5.889
  600    H    VAL 140           H        VAL 140   9.902   2.295   2.295
  601    HA   VAL 140           HA       VAL 140  10.028  -0.555  -0.555
  602    HB   VAL 140           HB       VAL 140   7.394   0.791   0.791
  603   1HG1  VAL 140          2HG1      VAL 140   8.177  -2.032  -2.032
  604   2HG1  VAL 140          1HG1      VAL 140   6.517  -1.442  -1.442
  605   3HG1  VAL 140          3HG1      VAL 140   7.373  -1.452  -1.452
  606   1HG2  VAL 140          1HG2      VAL 140   8.462  -0.213  -0.213
  607   2HG2  VAL 140          3HG2      VAL 140   8.141   1.468   1.468
  608   3HG2  VAL 140          2HG2      VAL 140   6.807   0.322   0.322
  609    H    ASP 141           H        ASP 141  11.526   0.193   0.193
  610    HA   ASP 141           HA       ASP 141  10.304   0.607   0.607
  611   1HB   ASP 141          1HB       ASP 141  12.522   0.093   0.093
  612   2HB   ASP 141          2HB       ASP 141  12.649   1.212   1.212
  613    H    GLN 142           H        GLN 142   8.631  -1.102  -1.102
  614    HA   GLN 142           HA       GLN 142   9.555  -3.572  -3.572
  615   1HB   GLN 142          1HB       GLN 142   9.492  -3.899  -3.899
  616   2HB   GLN 142          2HB       GLN 142   7.756  -3.625  -3.625
  617   1HG   GLN 142          1HG       GLN 142   7.665  -5.541  -5.541
  618   2HG   GLN 142          2HG       GLN 142   9.330  -5.888  -5.888
  619   1HE2  GLN 142          2HE2      GLN 142   7.270  -8.047  -8.047
  620   2HE2  GLN 142          1HE2      GLN 142   7.704  -7.875  -7.875
  621    H    THR 143           H        THR 143   7.949  -4.729  -4.729
  622    HA   THR 143           HA       THR 143   5.999  -3.187  -3.187
  623    HB   THR 143           HB       THR 143   5.684  -6.151  -6.151
  624    HG1  THR 143          1HG       THR 143   7.523  -6.532  -6.532
  625   1HG2  THR 143          3HG2      THR 143   5.285  -4.046  -4.046
  626   2HG2  THR 143          2HG2      THR 143   5.931  -5.573  -5.573
  627   3HG2  THR 143          1HG2      THR 143   4.401  -5.547  -5.547
  628    H    ILE 144           H        ILE 144   3.628  -4.239  -4.239
  629    HA   ILE 144           HA       ILE 144   2.621  -4.210  -4.210
  630    HB   ILE 144           HB       ILE 144   1.864  -2.371  -2.371
  631   1HG1  ILE 144          1HG1      ILE 144  -0.330  -4.151  -4.151
  632   2HG1  ILE 144          2HG1      ILE 144   0.660  -3.081  -3.081
  633   1HG2  ILE 144          1HG2      ILE 144   1.550  -4.182  -4.182
  634   2HG2  ILE 144          3HG2      ILE 144  -0.071  -4.282  -4.282
  635   3HG2  ILE 144          2HG2      ILE 144   0.530  -2.743  -2.743
  636   1HD1  ILE 144          3HD1      ILE 144  -1.032  -2.115  -2.115
  637   2HD1  ILE 144          2HD1      ILE 144  -1.597  -2.201  -2.201
  638   3HD1  ILE 144          1HD1      ILE 144  -0.242  -1.154  -1.154
  639    H    GLU 145           H        GLU 145   2.814  -6.034  -6.034
  640    HA   GLU 145           HA       GLU 145   0.709  -7.882  -7.882
  641   1HB   GLU 145          1HB       GLU 145   1.288  -9.044  -9.044
  642   2HB   GLU 145          2HB       GLU 145   1.014  -7.332  -7.332
  643   1HG   GLU 145          2HG       GLU 145   3.684  -7.353  -7.353
  644   2HG   GLU 145          1HG       GLU 145   3.448  -8.937  -8.937
  645    H    LYS 146           H        LYS 146   4.134  -7.561  -7.561
  646    HA   LYS 146           HA       LYS 146   4.478 -10.376 -10.376
  647   1HB   LYS 146          2HB       LYS 146   6.257  -8.150  -8.150
  648   2HB   LYS 146          1HB       LYS 146   6.921  -9.261  -9.261
  649   1HG   LYS 146          1HG       LYS 146   5.931 -11.013 -11.013
  650   2HG   LYS 146          2HG       LYS 146   6.346  -9.663  -9.663
  651   1HD   LYS 146          1HD       LYS 146   8.297 -10.660 -10.660
  652   2HD   LYS 146          2HD       LYS 146   8.132 -11.468 -11.468
  653   1HE   LYS 146          2HE       LYS 146   8.472  -8.509  -8.509
  654   2HE   LYS 146          1HE       LYS 146   9.878  -9.534  -9.534
  655   1HZ   LYS 146          2HZ       LYS 146   8.216 -10.202 -10.202
  656   2HZ   LYS 146          1HZ       LYS 146   9.123  -8.778  -8.778
  657   3HZ   LYS 146          3HZ       LYS 146   9.898 -10.255 -10.255
  658    H    VAL 147           H        VAL 147   3.010  -8.295  -8.295
  659    HA   VAL 147           HA       VAL 147   4.592  -8.590  -8.590
  660    HB   VAL 147           HB       VAL 147   2.430  -6.672  -6.672
  661   1HG1  VAL 147          2HG1      VAL 147   5.111  -7.106  -7.106
  662   2HG1  VAL 147          1HG1      VAL 147   4.922  -5.442  -5.442
  663   3HG1  VAL 147          3HG1      VAL 147   3.854  -6.087  -6.087
  664   1HG2  VAL 147          2HG2      VAL 147   4.273  -6.348  -6.348
  665   2HG2  VAL 147          1HG2      VAL 147   2.599  -5.830  -5.830
  666   3HG2  VAL 147          3HG2      VAL 147   3.899  -4.925  -4.925
  667    H    SER 148           H        SER 148   2.950  -8.398  -8.398
  668    HA   SER 148           HA       SER 148   1.183 -10.676 -10.676
  669   1HB   SER 148          2HB       SER 148   2.713 -10.492 -10.492
  670   2HB   SER 148          1HB       SER 148   1.789  -9.093  -9.093
  671    HG   SER 148           HG       SER 148   0.726 -11.691 -11.691
  672    H    PHE 149           H        PHE 149   0.630  -7.725  -7.725
  673    HA   PHE 149           HA       PHE 149  -1.305  -6.608  -6.608
  674   1HB   PHE 149          2HB       PHE 149  -2.847  -8.402  -8.402
  675   2HB   PHE 149          1HB       PHE 149  -3.409  -7.553  -7.553
  676    HD1  PHE 149           HD1      PHE 149  -1.997  -8.271  -8.271
  677    HD2  PHE 149           HD2      PHE 149  -2.676 -10.674 -10.674
  678    HE1  PHE 149           HE1      PHE 149  -1.632 -10.298 -10.298
  679    HE2  PHE 149           HE2      PHE 149  -2.311 -12.706 -12.706
  680    HZ   PHE 149           HZ       PHE 149  -1.788 -12.519 -12.519
  681    H    CYS 150           H        CYS 150  -3.266  -5.587  -5.587
  682    HA   CYS 150           HA       CYS 150  -1.930  -4.425  -4.425
  683   1HB   CYS 150          2HB       CYS 150  -4.189  -3.114  -3.114
  684   2HB   CYS 150          1HB       CYS 150  -2.984  -2.370  -2.370
  685    HG   CYS 150           HG       CYS 150  -2.252  -3.419  -3.419
  686    H    ALA 151           H        ALA 151  -3.380  -3.633  -3.633
  687    HA   ALA 151           HA       ALA 151  -6.038  -4.510  -4.510
  688   1HB   ALA 151          3HB       ALA 151  -4.051  -6.506  -6.506
  689   2HB   ALA 151          2HB       ALA 151  -4.979  -6.121  -6.121
  690   3HB   ALA 151          1HB       ALA 151  -5.809  -6.645  -6.645
  691    HA   PRO 152           HA       PRO 152  -4.904  -1.199  -1.199
  692   1HB   PRO 152          2HB       PRO 152  -7.473  -0.293  -0.293
  693   2HB   PRO 152          1HB       PRO 152  -6.381   0.216   0.216
  694   1HG   PRO 152          1HG       PRO 152  -8.553  -1.840  -1.840
  695   2HG   PRO 152          2HG       PRO 152  -8.132  -0.624  -0.624
  696   1HD   PRO 152          1HD       PRO 152  -7.405  -3.204  -3.204
  697   2HD   PRO 152          2HD       PRO 152  -6.377  -1.880  -1.880
  698    H    ASP 153           H        ASP 153  -5.431  -0.815  -0.815
  699    HA   ASP 153           HA       ASP 153  -6.142  -3.210  -3.210
  700   1HB   ASP 153          2HB       ASP 153  -5.347  -0.439  -0.439
  701   2HB   ASP 153          1HB       ASP 153  -5.776  -1.712  -1.712
  702    H    ARG 154           H        ARG 154  -8.369  -2.795  -2.795
  703    HA   ARG 154           HA       ARG 154 -10.624  -2.889  -2.889
  704   1HB   ARG 154          1HB       ARG 154  -9.974  -3.106  -3.106
  705   2HB   ARG 154          2HB       ARG 154 -10.200  -1.365  -1.365
  706   1HG   ARG 154          2HG       ARG 154 -12.378  -1.627  -1.627
  707   2HG   ARG 154          1HG       ARG 154 -12.478  -2.520  -2.520
  708   1HD   ARG 154          1HD       ARG 154 -11.509  -4.471  -4.471
  709   2HD   ARG 154          2HD       ARG 154 -12.233  -3.527  -3.527
  710    HE   ARG 154           HE       ARG 154 -14.154  -3.794  -3.794
  711   1HH1  ARG 154          1HH1      ARG 154 -12.364  -5.833  -5.833
  712   2HH1  ARG 154          2HH1      ARG 154 -13.609  -7.033  -7.033
  713   1HH2  ARG 154          1HH2      ARG 154 -15.802  -5.368  -5.368
  714   2HH2  ARG 154          2HH2      ARG 154 -15.564  -6.767  -6.767
  715    H    ASN 155           H        ASN 155  -8.714  -0.440  -0.440
  716    HA   ASN 155           HA       ASN 155  -8.923   1.744   1.744
  717   1HB   ASN 155          2HB       ASN 155 -10.035   0.378   0.378
  718   2HB   ASN 155          1HB       ASN 155 -11.578   0.803   0.803
  719   1HD2  ASN 155          2HD2      ASN 155 -10.803   3.157   3.157
  720   2HD2  ASN 155          1HD2      ASN 155 -10.945   1.441   1.441
  721    H    HIS 156           H        HIS 156  -9.960   1.195   1.195
  722    HA   HIS 156           HA       HIS 156 -12.356   2.777   2.777
  723   1HB   HIS 156          1HB       HIS 156 -11.275   0.748   0.748
  724   2HB   HIS 156          2HB       HIS 156 -10.828   2.155   2.155
  725    HD1  HIS 156           HD1      HIS 156 -12.566   2.870   2.870
  726    HD2  HIS 156           HD2      HIS 156 -14.189   0.773   0.773
  727    HE1  HIS 156           HE1      HIS 156 -15.035   2.627   2.627
  728    H    GLU 157           H        GLU 157  -9.024   3.439   3.439
  729    HA   GLU 157           HA       GLU 157  -9.619   6.154   6.154
  730   1HB   GLU 157          2HB       GLU 157  -7.832   4.281   4.281
  731   2HB   GLU 157          1HB       GLU 157  -7.018   5.773   5.773
  732   1HG   GLU 157          1HG       GLU 157  -7.936   6.836   6.836
  733   2HG   GLU 157          2HG       GLU 157  -9.552   6.401   6.401
  734    H    ARG 158           H        ARG 158  -9.210   4.900   4.900
  735    HA   ARG 158           HA       ARG 158  -8.183   5.364   5.364
  736   1HB   ARG 158          1HB       ARG 158  -7.040   7.758   7.758
  737   2HB   ARG 158          2HB       ARG 158  -7.244   7.571   7.571
  738   1HG   ARG 158          1HG       ARG 158  -9.083   8.813   8.813
  739   2HG   ARG 158          2HG       ARG 158  -9.780   7.230   7.230
  740   1HD   ARG 158          1HD       ARG 158  -8.506   8.193   8.193
  741   2HD   ARG 158          2HD       ARG 158  -9.538   9.473   9.473
  742    HE   ARG 158           HE       ARG 158 -10.821   6.904   6.904
  743   1HH1  ARG 158          1HH1      ARG 158 -10.060   9.801   9.801
  744   2HH1  ARG 158          2HH1      ARG 158 -11.379   9.622   9.622
  745   1HH2  ARG 158          1HH2      ARG 158 -12.561   6.659   6.659
  746   2HH2  ARG 158          2HH2      ARG 158 -12.801   7.835   7.835
  747    H    GLY 159           H        GLY 159  -6.871   3.557   3.557
  748   1HA   GLY 159          1HA       GLY 159  -4.033   4.182   4.182
  749   2HA   GLY 159          2HA       GLY 159  -4.575   3.198   3.198
  750    H    PHE 160           H        PHE 160  -3.379   3.158   3.158
  751    HA   PHE 160           HA       PHE 160  -4.492   0.551   0.551
  752   1HB   PHE 160          1HB       PHE 160  -2.401   1.971   1.971
  753   2HB   PHE 160          2HB       PHE 160  -3.662   0.869   0.869
  754    HD1  PHE 160           HD1      PHE 160  -6.108   1.710   1.710
  755    HD2  PHE 160           HD2      PHE 160  -2.685   4.237   4.237
  756    HE1  PHE 160           HE1      PHE 160  -7.538   3.628   3.628
  757    HE2  PHE 160           HE2      PHE 160  -4.107   6.160   6.160
  758    HZ   PHE 160           HZ       PHE 160  -6.538   5.858   5.858
  759    H    SER 161           H        SER 161  -2.855  -1.076  -1.076
  760    HA   SER 161           HA       SER 161  -0.211  -1.033  -1.033
  761   1HB   SER 161          2HB       SER 161  -2.388  -2.411  -2.411
  762   2HB   SER 161          1HB       SER 161  -0.884  -3.311  -3.311
  763    HG   SER 161           HG       SER 161  -0.585  -2.150  -2.150
  764    H    TYR 162           H        TYR 162   0.779  -1.774  -1.774
  765    HA   TYR 162           HA       TYR 162  -0.386  -3.943  -3.943
  766   1HB   TYR 162          2HB       TYR 162   2.216  -2.490  -2.490
  767   2HB   TYR 162          1HB       TYR 162   1.315  -3.485  -3.485
  768    HD1  TYR 162           HD1      TYR 162  -1.322  -1.976  -1.976
  769    HD2  TYR 162           HD2      TYR 162   2.156  -0.859  -0.859
  770    HE1  TYR 162           HE1      TYR 162  -2.490   0.023   0.023
  771    HE2  TYR 162           HE2      TYR 162   0.995   1.143   1.143
  772    HH   TYR 162           HH2      TYR 162  -1.847   2.305   2.305
  773    H    ILE 163           H        ILE 163   1.529  -5.493  -5.493
  774    HA   ILE 163           HA       ILE 163   3.401  -6.253  -6.253
  775    HB   ILE 163           HB       ILE 163   2.312  -8.697  -8.697
  776   1HG1  ILE 163          1HG1      ILE 163  -0.106  -6.894  -6.894
  777   2HG1  ILE 163          2HG1      ILE 163   0.361  -7.727  -7.727
  778   1HG2  ILE 163          3HG2      ILE 163   2.354  -6.540  -6.540
  779   2HG2  ILE 163          2HG2      ILE 163   0.972  -7.611  -7.611
  780   3HG2  ILE 163          1HG2      ILE 163   2.608  -8.271  -8.271
  781   1HD1  ILE 163          1HD1      ILE 163   0.209  -9.874  -9.874
  782   2HD1  ILE 163          3HD1      ILE 163  -0.503  -8.948  -8.948
  783   3HD1  ILE 163          2HD1      ILE 163  -1.317  -9.024  -9.024
  784    H    CYS 164           H        CYS 164   4.946  -7.742  -7.742
  785    HA   CYS 164           HA       CYS 164   4.724  -8.760  -8.760
  786   1HB   CYS 164          1HB       CYS 164   6.890  -7.949  -7.949
  787   2HB   CYS 164          2HB       CYS 164   5.967  -6.578  -6.578
  788    HG   CYS 164           HG       CYS 164   8.603  -7.429  -7.429
  789    H    ARG 165           H        ARG 165   6.255 -10.475 -10.475
  790    HA   ARG 165           HA       ARG 165   7.115 -11.883 -11.883
  791   1HB   ARG 165          1HB       ARG 165   6.880 -13.971 -13.971
  792   2HB   ARG 165          2HB       ARG 165   5.373 -13.139 -13.139
  793   1HG   ARG 165          1HG       ARG 165   6.422 -12.140 -12.140
  794   2HG   ARG 165          2HG       ARG 165   6.388 -13.904 -13.904
  795   1HD   ARG 165          2HD       ARG 165   4.065 -12.129 -12.129
  796   2HD   ARG 165          1HD       ARG 165   4.298 -12.902 -12.902
  797    HE   ARG 165           HE       ARG 165   3.367 -14.141 -14.141
  798   1HH1  ARG 165          1HH1      ARG 165   4.837 -14.652 -14.652
  799   2HH1  ARG 165          2HH1      ARG 165   4.335 -16.306 -16.306
  800   1HH2  ARG 165          1HH2      ARG 165   2.700 -16.318 -16.318
  801   2HH2  ARG 165          2HH2      ARG 165   3.120 -17.253 -17.253
  802    H    ASP 166           H        ASP 166   9.177 -10.946 -10.946
  803    HA   ASP 166           HA       ASP 166  11.356 -10.622 -10.622
  804   1HB   ASP 166          1HB       ASP 166  12.563 -12.619 -12.619
  805   2HB   ASP 166          2HB       ASP 166  11.212 -13.092 -13.092
  806    H    GLY 167           H        GLY 167   9.317  -9.838  -9.838
  807   1HA   GLY 167          1HA       GLY 167  10.176 -10.446 -10.446
  808   2HA   GLY 167          2HA       GLY 167   9.252  -9.024  -9.024
  809    H    THR 168           H        THR 168  12.518 -10.350 -10.350
  810    HA   THR 168           HA       THR 168  14.553  -9.369  -9.369
  811    HB   THR 168           HB       THR 168  14.689  -7.574  -7.574
  812    HG1  THR 168          1HG       THR 168  13.383  -5.964  -5.964
  813   1HG2  THR 168          1HG2      THR 168  12.219  -9.177  -9.177
  814   2HG2  THR 168          3HG2      THR 168  13.029  -8.116  -8.116
  815   3HG2  THR 168          2HG2      THR 168  13.873  -9.523  -9.523
  816    H    THR 169           H        THR 169  12.936  -8.776  -8.776
  817    HA   THR 169           HA       THR 169  14.257  -6.263  -6.263
  818    HB   THR 169           HB       THR 169  11.644  -7.425  -7.425
  819    HG1  THR 169          1HG       THR 169  12.303  -5.187  -5.187
  820   1HG2  THR 169          2HG2      THR 169  13.114  -4.964  -4.964
  821   2HG2  THR 169          1HG2      THR 169  11.405  -5.265  -5.265
  822   3HG2  THR 169          3HG2      THR 169  12.630  -6.348  -6.348
  823    H    ARG 170           H        ARG 170  12.655  -8.782  -8.782
  824    HA   ARG 170           HA       ARG 170  15.149  -9.773  -9.773
  825   1HB   ARG 170          2HB       ARG 170  13.353  -7.974  -7.974
  826   2HB   ARG 170          1HB       ARG 170  14.337  -9.196  -9.196
  827   1HG   ARG 170          1HG       ARG 170  16.173  -7.982  -7.982
  828   2HG   ARG 170          2HG       ARG 170  15.106  -6.635  -6.635
  829   1HD   ARG 170          1HD       ARG 170  15.602  -8.231  -8.231
  830   2HD   ARG 170          2HD       ARG 170  17.130  -7.767  -7.767
  831    HE   ARG 170           HE       ARG 170  15.404  -5.535  -5.535
  832   1HH1  ARG 170          1HH1      ARG 170  17.423  -7.600  -7.600
  833   2HH1  ARG 170          2HH1      ARG 170  17.737  -6.386  -6.386
  834   1HH2  ARG 170          1HH2      ARG 170  15.811  -3.929  -3.929
  835   2HH2  ARG 170          2HH2      ARG 170  16.821  -4.299  -4.299
  836    H    ARG 171           H        ARG 171  12.035  -9.548  -9.548
  837    HA   ARG 171           HA       ARG 171  11.408 -12.320 -12.320
  838   1HB   ARG 171          2HB       ARG 171  11.156 -12.997 -12.997
  839   2HB   ARG 171          1HB       ARG 171  12.767 -12.319 -12.319
  840   1HG   ARG 171          2HG       ARG 171  12.372 -10.667 -10.667
  841   2HG   ARG 171          1HG       ARG 171  10.752 -10.366 -10.366
  842   1HD   ARG 171          1HD       ARG 171   9.801 -11.555 -11.555
  843   2HD   ARG 171          2HD       ARG 171  10.905 -12.908 -12.908
  844    HE   ARG 171           HE       ARG 171  11.125 -10.831 -10.831
  845   1HH1  ARG 171          1HH1      ARG 171  12.824 -13.262 -13.262
  846   2HH1  ARG 171          2HH1      ARG 171  14.109 -13.413 -13.413
  847   1HH2  ARG 171          1HH2      ARG 171  12.815 -11.022 -11.022
  848   2HH2  ARG 171          2HH2      ARG 171  14.105 -12.140 -12.140
  849    H    TRP 172           H        TRP 172   9.345 -12.259 -12.259
  850    HA   TRP 172           HA       TRP 172   7.223 -11.123 -11.123
  851   1HB   TRP 172          1HB       TRP 172   7.131 -11.845 -11.845
  852   2HB   TRP 172          2HB       TRP 172   5.791 -11.795 -11.795
  853    HD1  TRP 172           HD1      TRP 172   6.300 -14.396 -14.396
  854    HE1  TRP 172           HE1      TRP 172   6.885 -16.604 -16.604
  855    HE3  TRP 172           HE3      TRP 172   8.061 -12.523 -12.523
  856    HZ2  TRP 172          2HZ       TRP 172   7.946 -17.445 -17.445
  857    HZ3  TRP 172           HZ3      TRP 172   8.838 -14.101 -14.101
  858    HH2  TRP 172           HH2      TRP 172   8.783 -16.511 -16.511
  859    H    MET 173           H        MET 173   8.260  -8.997  -8.997
  860    HA   MET 173           HA       MET 173   8.284  -7.297  -7.297
  861   1HB   MET 173          1HB       MET 173   8.894  -6.651  -6.651
  862   2HB   MET 173          2HB       MET 173   9.164  -5.580  -5.580
  863   1HG   MET 173          1HG       MET 173  10.436  -8.106  -8.106
  864   2HG   MET 173          2HG       MET 173  10.932  -7.452  -7.452
  865   1HE   MET 173          3HE       MET 173  10.270  -6.500  -6.500
  866   2HE   MET 173          2HE       MET 173  11.307  -5.096  -5.096
  867   3HE   MET 173          1HE       MET 173   9.875  -4.963  -4.963
  868    H    CYS 174           H        CYS 174   6.555  -6.262  -6.262
  869    HA   CYS 174           HA       CYS 174   4.243  -5.930  -5.930
  870   1HB   CYS 174          2HB       CYS 174   4.832  -5.678  -5.678
  871   2HB   CYS 174          1HB       CYS 174   3.577  -4.613  -4.613
  872    HG   CYS 174           HG       CYS 174   2.942  -7.242  -7.242
  873    H    HIS 175           H        HIS 175   3.135  -3.727  -3.727
  874    HA   HIS 175           HA       HIS 175   5.062  -1.524  -1.524
  875   1HB   HIS 175          2HB       HIS 175   3.220  -2.193  -2.193
  876   2HB   HIS 175          1HB       HIS 175   4.268  -0.784  -0.784
  877    HD1  HIS 175           HD1      HIS 175   6.509  -1.069  -1.069
  878    HD2  HIS 175           HD2      HIS 175   4.783  -4.698  -4.698
  879    HE1  HIS 175           HE1      HIS 175   8.059  -2.868  -2.868
  880    H    GLY 176           H        GLY 176   4.045  -0.640  -0.640
  881   1HA   GLY 176          1HA       GLY 176   1.227  -0.197  -0.197
  882   2HA   GLY 176          2HA       GLY 176   2.446   0.551   0.551
  883    H    PHE 177           H        PHE 177   0.243   1.027   1.027
  884    HA   PHE 177           HA       PHE 177   1.534   3.537   3.537
  885   1HB   PHE 177          2HB       PHE 177  -0.283   1.618   1.618
  886   2HB   PHE 177          1HB       PHE 177  -0.548   3.319   3.319
  887    HD1  PHE 177           HD2      PHE 177   1.366   4.676   4.676
  888    HD2  PHE 177           HD1      PHE 177   1.484   0.432   0.432
  889    HE1  PHE 177           HE2      PHE 177   3.212   4.617   4.617
  890    HE2  PHE 177           HE1      PHE 177   3.330   0.366   0.366
  891    HZ   PHE 177           HZ       PHE 177   4.196   2.460   2.460
  892    H    LEU 178           H        LEU 178   0.589   5.483   5.483
  893    HA   LEU 178           HA       LEU 178  -2.115   5.576   5.576
  894   1HB   LEU 178          2HB       LEU 178  -0.460   5.706   5.706
  895   2HB   LEU 178          1HB       LEU 178   0.256   7.110   7.110
  896    HG   LEU 178           HG       LEU 178  -1.390   7.429   7.429
  897   1HD1  LEU 178          2HD1      LEU 178  -0.781   8.982   8.982
  898   2HD1  LEU 178          1HD1      LEU 178  -2.419   9.336   9.336
  899   3HD1  LEU 178          3HD1      LEU 178  -1.061   9.513   9.513
  900   1HD2  LEU 178          1HD2      LEU 178  -3.139   5.971   5.971
  901   2HD2  LEU 178          3HD2      LEU 178  -3.697   7.546   7.546
  902   3HD2  LEU 178          2HD2      LEU 178  -3.405   7.277   7.277
  903    H    ALA 179           H        ALA 179  -3.222   6.634   6.634
  904    HA   ALA 179           HA       ALA 179  -2.352   8.213   8.213
  905   1HB   ALA 179          1HB       ALA 179  -4.813   7.484   7.484
  906   2HB   ALA 179          3HB       ALA 179  -4.844   9.244   9.244
  907   3HB   ALA 179          2HB       ALA 179  -4.517   8.472   8.472
  908    H    CYS 180           H        CYS 180  -2.021  10.384  10.384
  909    HA   CYS 180           HA       CYS 180  -0.898  11.910  11.910
  910   1HB   CYS 180          1HB       CYS 180  -0.124  12.139  12.139
  911   2HB   CYS 180          2HB       CYS 180  -1.706  12.740  12.740
  912    HG   CYS 180           HG       CYS 180  -1.156  14.837  14.837
  913    H    LYS 181           H        LYS 181  -3.753  12.559  12.559
  914    HA   LYS 181           HA       LYS 181  -4.724  14.645  14.645
  915   1HB   LYS 181          1HB       LYS 181  -6.447  13.030  13.030
  916   2HB   LYS 181          2HB       LYS 181  -6.587  14.731  14.731
  917   1HG   LYS 181          2HG       LYS 181  -4.527  13.446  13.446
  918   2HG   LYS 181          1HG       LYS 181  -5.776  14.605  14.605
  919   1HD   LYS 181          2HD       LYS 181  -4.202  15.715  15.715
  920   2HD   LYS 181          1HD       LYS 181  -3.128  15.130  15.130
  921   1HE   LYS 181          2HE       LYS 181  -4.560  16.371  16.371
  922   2HE   LYS 181          1HE       LYS 181  -5.400  17.087  17.087
  923   1HZ   LYS 181          3HZ       LYS 181  -3.213  17.934  17.934
  924   2HZ   LYS 181          2HZ       LYS 181  -2.531  17.385  17.385
  925   3HZ   LYS 181          1HZ       LYS 181  -3.720  18.590  18.590
  926    H    ASP 182           H        ASP 182  -5.077  11.197  11.197
  927    HA   ASP 182           HA       ASP 182  -6.111   9.732   9.732
  928   1HB   ASP 182          1HB       ASP 182  -5.027  11.710  11.710
  929   2HB   ASP 182          2HB       ASP 182  -6.697  11.626  11.626
  930    H    SER 183           H        SER 183  -7.945   9.644   9.644
  931    HA   SER 183           HA       SER 183 -10.395  10.135  10.135
  932   1HB   SER 183          2HB       SER 183  -9.812  12.426  12.426
  933   2HB   SER 183          1HB       SER 183 -10.051  11.730  11.730
  934    HG   SER 183           HG       SER 183 -12.118  11.893  11.893
  935    H    GLY 184           H        GLY 184  -8.929   7.976   7.976
  936   1HA   GLY 184          2HA       GLY 184  -9.264   6.267   6.267
  937   2HA   GLY 184          1HA       GLY 184 -10.936   6.452   6.452
  938    H    GLU 185           H        GLU 185  -9.252   8.994   8.994
  939    HA   GLU 185           HA       GLU 185 -10.510   8.251   8.251
  940   1HB   GLU 185          2HB       GLU 185 -11.335  10.455  10.455
  941   2HB   GLU 185          1HB       GLU 185 -10.950  10.979  10.979
  942   1HG   GLU 185          2HG       GLU 185 -12.560   9.489   9.489
  943   2HG   GLU 185          1HG       GLU 185 -12.844   8.734   8.734
  944    H    ARG 186           H        ARG 186  -7.890   7.966   7.966
  945    HA   ARG 186           HA       ARG 186  -6.749   9.951   9.951
  946   1HB   ARG 186          2HB       ARG 186  -5.407   9.333   9.333
  947   2HB   ARG 186          1HB       ARG 186  -4.847  10.453  10.453
  948   1HG   ARG 186          2HG       ARG 186  -7.430  10.792  10.792
  949   2HG   ARG 186          1HG       ARG 186  -5.898  11.511  11.511
  950   1HD   ARG 186          1HD       ARG 186  -5.786  12.872  12.872
  951   2HD   ARG 186          2HD       ARG 186  -7.031  11.943  11.943
  952    HE   ARG 186           HE       ARG 186  -8.192  12.996  12.996
  953   1HH1  ARG 186          1HH1      ARG 186  -6.750  14.159  14.159
  954   2HH1  ARG 186          2HH1      ARG 186  -7.707  15.601  15.601
  955   1HH2  ARG 186          2HH2      ARG 186  -9.459  14.892  14.892
  956   2HH2  ARG 186          1HH2      ARG 186  -9.248  16.018  16.018
  957    H    LEU 187           H        LEU 187  -6.151   7.099   7.099
  958    HA   LEU 187           HA       LEU 187  -4.545   5.974   5.974
  959   1HB   LEU 187          1HB       LEU 187  -4.223   5.771   5.771
  960   2HB   LEU 187          2HB       LEU 187  -3.536   4.560   4.560
  961    HG   LEU 187           HG       LEU 187  -1.993   6.064   6.064
  962   1HD1  LEU 187          2HD1      LEU 187  -3.771   8.233   8.233
  963   2HD1  LEU 187          1HD1      LEU 187  -2.122   8.538   8.538
  964   3HD1  LEU 187          3HD1      LEU 187  -3.317   7.912   7.912
  965   1HD2  LEU 187          3HD2      LEU 187  -2.111   5.720   5.720
  966   2HD2  LEU 187          2HD2      LEU 187  -0.717   6.257   6.257
  967   3HD2  LEU 187          1HD2      LEU 187  -1.802   7.444   7.444
  968    H    SER 188           H        SER 188  -6.927   5.332   5.332
  969    HA   SER 188           HA       SER 188  -7.276   2.617   2.617
  970   1HB   SER 188          1HB       SER 188  -8.520   4.468   4.468
  971   2HB   SER 188          2HB       SER 188  -9.731   4.309   4.309
  972    HG   SER 188           HG       SER 188  -9.459   2.771   2.771
  973    H    HIS 189           H        HIS 189  -9.124   5.076   5.076
  974    HA   HIS 189           HA       HIS 189 -10.160   3.088   3.088
  975   1HB   HIS 189          2HB       HIS 189 -11.118   5.469   5.469
  976   2HB   HIS 189          1HB       HIS 189 -10.419   5.956   5.956
  977    HD1  HIS 189           HD1      HIS 189 -13.564   5.716   5.716
  978    HD2  HIS 189           HD2      HIS 189 -11.322   3.143   3.143
  979    HE1  HIS 189           HE1      HIS 189 -15.211   4.514   4.514
  980    H    ALA 190           H        ALA 190  -7.376   5.087   5.087
  981    HA   ALA 190           HA       ALA 190  -6.987   5.094   5.094
  982   1HB   ALA 190          2HB       ALA 190  -6.059   6.662   6.662
  983   2HB   ALA 190          1HB       ALA 190  -4.645   5.909   5.909
  984   3HB   ALA 190          3HB       ALA 190  -5.750   6.876   6.876
  985    H    VAL 191           H        VAL 191  -4.699   4.208   4.208
  986    HA   VAL 191           HA       VAL 191  -3.134   2.533   2.533
  987    HB   VAL 191           HB       VAL 191  -2.702   3.394   3.394
  988   1HG1  VAL 191          2HG1      VAL 191  -4.799   1.774   1.774
  989   2HG1  VAL 191          1HG1      VAL 191  -3.400   0.799   0.799
  990   3HG1  VAL 191          3HG1      VAL 191  -3.595   2.419   2.419
  991   1HG2  VAL 191          3HG2      VAL 191  -1.710   1.147   1.147
  992   2HG2  VAL 191          2HG2      VAL 191  -0.839   2.268   2.268
  993   3HG2  VAL 191          1HG2      VAL 191  -1.595   0.827   0.827
  994    H    GLY 192           H        GLY 192  -6.188   1.953   1.953
  995   1HA   GLY 192          1HA       GLY 192  -6.153  -0.911  -0.911
  996   2HA   GLY 192          2HA       GLY 192  -7.554   0.083   0.083
  997    H    CYS 193           H        CYS 193  -7.085   1.850   1.850
  998    HA   CYS 193           HA       CYS 193  -8.558   0.414   0.414
  999   1HB   CYS 193          1HB       CYS 193  -7.649   3.177   3.177
 1000   2HB   CYS 193          2HB       CYS 193  -7.645   2.694   2.694
 1001    HG   CYS 193           HG       CYS 193 -10.258   2.385   2.385
 1002    H    ALA 194           H        ALA 194  -5.227   1.272   1.272
 1003    HA   ALA 194           HA       ALA 194  -4.067   0.882   0.882
 1004   1HB   ALA 194          1HB       ALA 194  -3.179   0.766   0.766
 1005   2HB   ALA 194          3HB       ALA 194  -2.223  -0.233  -0.233
 1006   3HB   ALA 194          2HB       ALA 194  -2.405   1.494   1.494
 1007    H    PHE 195           H        PHE 195  -5.263  -1.479  -1.479
 1008    HA   PHE 195           HA       PHE 195  -4.124  -3.792  -3.792
 1009   1HB   PHE 195          1HB       PHE 195  -6.523  -3.236  -3.236
 1010   2HB   PHE 195          2HB       PHE 195  -6.316  -4.844  -4.844
 1011    HD1  PHE 195           HD1      PHE 195  -3.723  -5.671  -5.671
 1012    HD2  PHE 195           HD2      PHE 195  -5.812  -3.019  -3.019
 1013    HE1  PHE 195           HE1      PHE 195  -2.195  -6.265  -6.265
 1014    HE2  PHE 195           HE2      PHE 195  -4.288  -3.609  -3.609
 1015    HZ   PHE 195           HZ       PHE 195  -2.476  -5.234  -5.234
 1016    H    ALA 196           H        ALA 196  -6.753  -1.788  -1.788
 1017    HA   ALA 196           HA       ALA 196  -8.370  -3.402  -3.402
 1018   1HB   ALA 196          1HB       ALA 196  -8.709  -0.995  -0.995
 1019   2HB   ALA 196          3HB       ALA 196  -7.346  -0.694  -0.694
 1020   3HB   ALA 196          2HB       ALA 196  -8.795  -1.492  -1.492
 1021    H    VAL 197           H        VAL 197  -5.069  -2.556  -2.556
 1022    HA   VAL 197           HA       VAL 197  -5.215  -3.806  -3.806
 1023    HB   VAL 197           HB       VAL 197  -2.989  -2.230  -2.230
 1024   1HG1  VAL 197          1HG2      VAL 197  -3.040  -3.944  -3.944
 1025   2HG1  VAL 197          3HG2      VAL 197  -2.421  -2.319  -2.319
 1026   3HG1  VAL 197          2HG2      VAL 197  -1.673  -3.338  -3.338
 1027   1HG2  VAL 197          2HG1      VAL 197  -5.126  -1.568  -1.568
 1028   2HG2  VAL 197          1HG1      VAL 197  -4.587  -0.660  -0.660
 1029   3HG2  VAL 197          3HG1      VAL 197  -3.586  -0.710  -0.710
 1030    H    CYS 198           H        CYS 198  -3.752  -4.152  -4.152
 1031    HA   CYS 198           HA       CYS 198  -1.854  -6.102  -6.102
 1032   1HB   CYS 198          2HB       CYS 198  -2.037  -5.099  -5.099
 1033   2HB   CYS 198          1HB       CYS 198  -3.670  -5.723  -5.723
 1034    HG   CYS 198           HG       CYS 198  -1.892  -7.177  -7.177
 1035    H    LEU 199           H        LEU 199  -5.320  -6.354  -6.354
 1036    HA   LEU 199           HA       LEU 199  -5.080  -9.240  -9.240
 1037   1HB   LEU 199          1HB       LEU 199  -7.588  -8.005  -8.005
 1038   2HB   LEU 199          2HB       LEU 199  -7.076  -9.680  -9.680
 1039    HG   LEU 199           HG       LEU 199  -5.163  -8.697  -8.697
 1040   1HD1  LEU 199          3HD1      LEU 199  -6.959  -6.478  -6.478
 1041   2HD1  LEU 199          2HD1      LEU 199  -6.895  -6.970  -6.970
 1042   3HD1  LEU 199          1HD1      LEU 199  -5.409  -6.548  -6.548
 1043   1HD2  LEU 199          2HD2      LEU 199  -6.880 -10.399 -10.399
 1044   2HD2  LEU 199          1HD2      LEU 199  -6.473  -9.327  -9.327
 1045   3HD2  LEU 199          3HD2      LEU 199  -7.974  -9.089  -9.089
 1046    H    GLU 200           H        GLU 200  -6.779  -6.236  -6.236
 1047    HA   GLU 200           HA       GLU 200  -7.925  -5.538  -5.538
 1048   1HB   GLU 200          2HB       GLU 200  -5.937  -6.348  -6.348
 1049   2HB   GLU 200          1HB       GLU 200  -6.672  -7.942  -7.942
 1050   1HG   GLU 200          1HG       GLU 200  -8.596  -6.214  -6.214
 1051   2HG   GLU 200          2HG       GLU 200  -7.067  -5.603  -5.603
 1052    H    ARG 201           H        ARG 201 -10.029  -5.745  -5.745
 1053    HA   ARG 201           HA       ARG 201 -12.163  -6.561  -6.561
 1054   1HB   ARG 201          1HB       ARG 201 -10.851  -8.114  -8.114
 1055   2HB   ARG 201          2HB       ARG 201 -11.474  -9.323  -9.323
 1056   1HG   ARG 201          1HG       ARG 201 -13.726  -8.154  -8.154
 1057   2HG   ARG 201          2HG       ARG 201 -12.999  -7.337  -7.337
 1058   1HD   ARG 201          2HD       ARG 201 -12.991  -9.207  -9.207
 1059   2HD   ARG 201          1HD       ARG 201 -12.643 -10.261 -10.261
 1060    HE   ARG 201           HE       ARG 201 -14.890 -10.608 -10.608
 1061   1HH1  ARG 201          1HH2      ARG 201 -14.390  -7.836  -7.836
 1062   2HH1  ARG 201          2HH2      ARG 201 -16.065  -7.681  -7.681
 1063   1HH2  ARG 201          2HH1      ARG 201 -17.098 -10.414 -10.414
 1064   2HH2  ARG 201          1HH1      ARG 201 -17.604  -9.148  -9.148
 1065    H    LYS 202           H        LYS 202 -10.157  -6.978  -6.978
 1066    HA   LYS 202           HA       LYS 202 -10.006  -8.018  -8.018
 1067   1HB   LYS 202          2HB       LYS 202 -12.987  -8.361  -8.361
 1068   2HB   LYS 202          1HB       LYS 202 -11.993  -7.966  -7.966
 1069   1HG   LYS 202          1HG       LYS 202 -12.685  -6.169  -6.169
 1070   2HG   LYS 202          2HG       LYS 202 -13.217  -6.019  -6.019
 1071   1HD   LYS 202          1HD       LYS 202 -10.302  -6.089  -6.089
 1072   2HD   LYS 202          2HD       LYS 202 -11.110  -4.682  -4.682
 1073   1HE   LYS 202          2HE       LYS 202 -11.764  -5.543  -5.543
 1074   2HE   LYS 202          1HE       LYS 202 -10.285  -4.635  -4.635
 1075   1HZ   LYS 202          1HZ       LYS 202 -12.634  -3.520  -3.520
 1076   2HZ   LYS 202          3HZ       LYS 202 -12.699  -3.536  -3.536
 1077   3HZ   LYS 202          2HZ       LYS 202 -11.421  -2.759  -2.759
 1078    H    GLN 203           H        GLN 203  -9.376  -9.817  -9.817
 1079    HA   GLN 203           HA       GLN 203 -10.872 -12.179 -12.179
 1080   1HB   GLN 203          1HB       GLN 203  -8.030 -11.448 -11.448
 1081   2HB   GLN 203          2HB       GLN 203  -8.394 -13.155 -13.155
 1082   1HG   GLN 203          2HG       GLN 203  -9.625 -11.314 -11.314
 1083   2HG   GLN 203          1HG       GLN 203  -8.402 -12.547 -12.547
 1084   1HE2  GLN 203          1HE2      GLN 203 -10.717 -15.258 -15.258
 1085   2HE2  GLN 203          2HE2      GLN 203  -9.123 -14.765 -14.765
 1086    H    ARG 204           H        ARG 204  -8.695 -10.919 -10.919
 1087    HA   ARG 204           HA       ARG 204  -8.258 -11.553 -11.553
 1088   1HB   ARG 204          2HB       ARG 204 -10.811 -12.810 -12.810
 1089   2HB   ARG 204          1HB       ARG 204  -9.886 -13.731 -13.731
 1090   1HG   ARG 204          2HG       ARG 204 -10.687 -12.355 -12.355
 1091   2HG   ARG 204          1HG       ARG 204  -9.652 -11.103 -11.103
 1092   1HD   ARG 204          1HD       ARG 204 -12.026 -10.415 -10.415
 1093   2HD   ARG 204          2HD       ARG 204 -11.423 -10.344 -10.344
 1094    HE   ARG 204           HE       ARG 204 -12.934 -11.959 -11.959
 1095   1HH1  ARG 204          1HH1      ARG 204 -12.640 -11.877 -11.877
 1096   2HH1  ARG 204          2HH1      ARG 204 -13.956 -12.972 -12.972
 1097   1HH2  ARG 204          1HH2      ARG 204 -14.667 -13.400 -13.400
 1098   2HH2  ARG 204          2HH2      ARG 204 -15.108 -13.837 -13.837
 1099    H    ARG 205           H        ARG 205  -6.933 -12.991 -12.991
 1100    HA   ARG 205           HA       ARG 205  -5.759 -15.061 -15.061
 1101   1HB   ARG 205          2HB       ARG 205  -4.409 -13.273 -13.273
 1102   2HB   ARG 205          1HB       ARG 205  -4.762 -14.189 -14.189
 1103   1HG   ARG 205          2HG       ARG 205  -2.681 -14.976 -14.976
 1104   2HG   ARG 205          1HG       ARG 205  -3.779 -16.193 -16.193
 1105   1HD   ARG 205          2HD       ARG 205  -2.438 -15.841 -15.841
 1106   2HD   ARG 205          1HD       ARG 205  -3.701 -14.647 -14.647
 1107    HE   ARG 205           HE       ARG 205  -1.863 -13.257 -13.257
 1108   1HH1  ARG 205          1HH1      ARG 205  -1.689 -15.242 -15.242
 1109   2HH1  ARG 205          2HH1      ARG 205  -0.367 -14.362 -14.362
 1110   1HH2  ARG 205          1HH2      ARG 205  -0.121 -12.089 -12.089
 1111   2HH2  ARG 205          2HH2      ARG 205   0.526 -12.570 -12.570
 1112    H    THR 206           H        THR 206  -8.375 -15.304 -15.304
 1113    HA   THR 206           HA       THR 206  -7.808 -17.357 -17.357
 1114    HB   THR 206           HB       THR 206 -10.110 -17.304 -17.304
 1115    HG1  THR 206          1HG       THR 206 -11.173 -17.491 -17.491
 1116   1HG2  THR 206          1HG2      THR 206  -9.089 -14.607 -14.607
 1117   2HG2  THR 206          3HG2      THR 206 -10.747 -14.802 -14.802
 1118   3HG2  THR 206          2HG2      THR 206  -9.400 -15.295 -15.295
 1119    H    ARG 207           H        ARG 207  -9.933 -19.095 -19.095
 1120    HA   ARG 207           HA       ARG 207  -8.849 -20.805 -20.805
 1121   1HB   ARG 207          2HB       ARG 207 -10.716 -21.030 -21.030
 1122   2HB   ARG 207          1HB       ARG 207 -11.314 -21.863 -21.863
 1123   1HG   ARG 207          2HG       ARG 207  -9.894 -23.540 -23.540
 1124   2HG   ARG 207          1HG       ARG 207  -8.523 -22.439 -22.439
 1125   1HD   ARG 207          1HD       ARG 207  -8.453 -22.717 -22.717
 1126   2HD   ARG 207          2HD       ARG 207 -10.164 -22.317 -22.317
 1127    HE   ARG 207           HE       ARG 207 -10.565 -24.532 -24.532
 1128   1HH1  ARG 207          2HH1      ARG 207  -7.599 -24.202 -24.202
 1129   2HH1  ARG 207          1HH1      ARG 207  -7.275 -25.903 -25.903
 1130   1HH2  ARG 207          2HH2      ARG 207 -10.151 -26.774 -26.774
 1131   2HH2  ARG 207          1HH2      ARG 207  -8.728 -27.366 -27.366
 1132    H    ALA 208           H        ALA 208  -9.192 -19.237 -19.237
 1133    HA   ALA 208           HA       ALA 208 -11.591 -18.310 -18.310
 1134   1HB   ALA 208          2HB       ALA 208  -9.277 -17.884 -17.884
 1135   2HB   ALA 208          1HB       ALA 208  -9.454 -19.394 -19.394
 1136   3HB   ALA 208          3HB       ALA 208 -10.567 -18.060 -18.060
 1137    H    ALA 209           H        ALA 209 -10.140 -21.494 -21.494
 1138    HA   ALA 209           HA       ALA 209 -10.974 -23.408 -23.408
 1139   1HB   ALA 209          3HB       ALA 209 -12.943 -22.404 -22.404
 1140   2HB   ALA 209          2HB       ALA 209 -13.603 -23.534 -23.534
 1141   3HB   ALA 209          1HB       ALA 209 -12.242 -24.013 -24.013
 1142    H    ALA 210           H        ALA 210 -10.964 -21.246 -21.246
 1143    HA   ALA 210           HA       ALA 210 -13.131 -22.074 -22.074
 1144   1HB   ALA 210          1HB       ALA 210 -12.727 -19.333 -19.333
 1145   2HB   ALA 210          3HB       ALA 210 -13.200 -19.503 -19.503
 1146   3HB   ALA 210          2HB       ALA 210 -14.216 -20.180 -20.180
 1147   1H    ALA   1          1HT       ALA   1 -13.839  -7.138  -7.138
 1148   2H    ALA   1          3HT       ALA   1 -14.173  -6.377  -6.377
 1149   3H    ALA   1          2HT       ALA   1 -14.980  -5.859  -5.859
 1150    HA   ALA   1           HA       ALA   1 -13.300  -4.325  -4.325
 1151   1HB   ALA   1          1HB       ALA   1 -11.745  -6.792  -6.792
 1152   2HB   ALA   1          3HB       ALA   1 -10.886  -5.458  -5.458
 1153   3HB   ALA   1          2HB       ALA   1 -11.612  -5.238  -5.238
 1154    H    TYR   2           H        TYR   2 -11.564  -6.611  -6.611
 1155    HA   TYR   2           HA       TYR   2 -12.660  -5.965  -5.965
 1156   1HB   TYR   2          1HB       TYR   2 -10.468  -4.480  -4.480
 1157   2HB   TYR   2          2HB       TYR   2 -12.046  -3.810  -3.810
 1158    HD1  TYR   2           HD2      TYR   2  -9.654  -5.299  -5.299
 1159    HD2  TYR   2           HD1      TYR   2 -11.408  -1.735  -1.735
 1160    HE1  TYR   2           HE2      TYR   2  -8.654  -4.022  -4.022
 1161    HE2  TYR   2           HE1      TYR   2 -10.414  -0.450  -0.450
 1162    HH   TYR   2           HH2      TYR   2  -8.014  -1.202  -1.202
 1163    H    ILE   3           H        ILE   3  -9.175  -5.619  -5.619
 1164    HA   ILE   3           HA       ILE   3  -8.830  -8.450  -8.450
 1165    HB   ILE   3           HB       ILE   3  -7.140  -6.379  -6.379
 1166   1HG1  ILE   3          2HG1      ILE   3  -9.502  -5.809  -5.809
 1167   2HG1  ILE   3          1HG1      ILE   3  -8.631  -6.373  -6.373
 1168   1HG2  ILE   3          3HG2      ILE   3  -7.164  -9.159  -9.159
 1169   2HG2  ILE   3          2HG2      ILE   3  -7.828  -8.747  -8.747
 1170   3HG2  ILE   3          1HG2      ILE   3  -6.244  -8.137  -8.137
 1171   1HD1  ILE   3          3HD1      ILE   3  -9.894  -8.581  -8.581
 1172   2HD1  ILE   3          2HD1      ILE   3 -11.065  -7.304  -7.304
 1173   3HD1  ILE   3          1HD1      ILE   3 -10.108  -7.980  -7.980
 1174    H    GLY   4           H        GLY   4  -8.368  -8.140  -8.140
 1175   1HA   GLY   4          2HA       GLY   4  -5.581  -8.433  -8.433
 1176   2HA   GLY   4          1HA       GLY   4  -6.088  -6.844  -6.844
 1177    HA   PRO   5           HA       PRO   5  -7.329  -8.211  -8.211
 1178   1HB   PRO   5          2HB       PRO   5 -10.122  -7.436  -7.436
 1179   2HB   PRO   5          1HB       PRO   5  -9.177  -7.024  -7.024
 1180   1HG   PRO   5          1HG       PRO   5  -9.536  -5.246  -5.246
 1181   2HG   PRO   5          2HG       PRO   5  -7.986  -5.365  -5.365
 1182   1HD   PRO   5          2HD       PRO   5  -8.716  -6.264  -6.264
 1183   2HD   PRO   5          1HD       PRO   5  -7.159  -5.685  -5.685
 1184   1HN   PTR   6           H        PTR   6  -9.661  -9.022  -9.022
 1185    HA   PTR   6           HA       PTR   6 -10.271 -11.545 -11.545
 1186   1HB   PTR   6          1HB       PTR   6 -11.579 -10.062 -10.062
 1187   2HB   PTR   6          2HB       PTR   6 -12.239 -10.391 -10.391
 1188    HD1  PTR   6           HD1      PTR   6 -12.224 -11.437 -11.437
 1189    HD2  PTR   6           HD2      PTR   6 -12.673 -12.878 -12.878
 1190    HE1  PTR   6           HE1      PTR   6 -12.500 -13.747 -13.747
 1191    HE2  PTR   6           HE2      PTR   6 -13.708 -14.926 -14.926
 1192    H    LEU   7           H        LEU   7 -10.266 -10.966 -10.966
 1193    HA   LEU   7           HA       LEU   7  -9.414 -12.212 -12.212
 1194   1HB   LEU   7          2HB       LEU   7  -7.241 -11.351 -11.351
 1195   2HB   LEU   7          1HB       LEU   7  -6.828 -12.808 -12.808
 1196    HG   LEU   7           HG       LEU   7  -7.673 -10.158 -10.158
 1197   1HD1  LEU   7          1HD1      LEU   7  -5.127 -11.414 -11.414
 1198   2HD1  LEU   7          3HD1      LEU   7  -5.278 -10.973 -10.973
 1199   3HD1  LEU   7          2HD1      LEU   7  -5.490  -9.747  -9.747
 1200   1HD2  LEU   7          1HD2      LEU   7  -7.318 -12.857 -12.857
 1201   2HD2  LEU   7          3HD2      LEU   7  -8.654 -11.719 -11.719
 1202   3HD2  LEU   7          2HD2      LEU   7  -7.093 -11.371 -11.371

  Start of MODEL    8
    1    HA   SER  64           HA       SER  64 -18.939   8.886   8.886
    2   1HB   SER  64          2HB       SER  64 -21.351   9.756   9.756
    3   2HB   SER  64          1HB       SER  64 -20.876  10.738  10.738
    4    HG   SER  64           HG       SER  64 -21.445   8.086   8.086
    5    H    LYS  65           H        LYS  65 -16.720   9.562   9.562
    6    HA   LYS  65           HA       LYS  65 -15.027  10.249  10.249
    7   1HB   LYS  65          2HB       LYS  65 -17.109   9.088   9.088
    8   2HB   LYS  65          1HB       LYS  65 -16.183  10.278  10.278
    9   1HG   LYS  65          2HG       LYS  65 -14.118   9.033   9.033
   10   2HG   LYS  65          1HG       LYS  65 -15.261   7.729   7.729
   11   1HD   LYS  65          2HD       LYS  65 -14.700   9.008   9.008
   12   2HD   LYS  65          1HD       LYS  65 -14.231   7.385   7.385
   13   1HE   LYS  65          1HE       LYS  65 -16.609   6.796   6.796
   14   2HE   LYS  65          2HE       LYS  65 -17.050   8.405   8.405
   15   1HZ   LYS  65          1HZ       LYS  65 -15.743   7.846   7.846
   16   2HZ   LYS  65          3HZ       LYS  65 -15.707   6.244   6.244
   17   3HZ   LYS  65          2HZ       LYS  65 -17.187   6.990   6.990
   18    HA   PRO  66           HA       PRO  66 -17.201  14.520  14.520
   19   1HB   PRO  66          2HB       PRO  66 -15.340  15.621  15.621
   20   2HB   PRO  66          1HB       PRO  66 -16.989  15.138  15.138
   21   1HG   PRO  66          2HG       PRO  66 -14.428  13.656  13.656
   22   2HG   PRO  66          1HG       PRO  66 -15.854  13.735  13.735
   23   1HD   PRO  66          2HD       PRO  66 -15.372  11.583  11.583
   24   2HD   PRO  66          1HD       PRO  66 -17.028  12.179  12.179
   25    H    HIS  67           H        HIS  67 -13.801  14.813  14.813
   26    HA   HIS  67           HA       HIS  67 -13.063  15.277  15.277
   27   1HB   HIS  67          2HB       HIS  67 -12.756  17.303  17.303
   28   2HB   HIS  67          1HB       HIS  67 -11.803  17.361  17.361
   29    HD1  HIS  67           HD1      HIS  67 -12.803  18.753  18.753
   30    HD2  HIS  67           HD2      HIS  67 -15.662  17.347  17.347
   31    HE1  HIS  67           HE1      HIS  67 -15.005  19.768  19.768
   32    H    GLN  68           H        GLN  68 -11.567  15.839  15.839
   33    HA   GLN  68           HA       GLN  68  -9.036  14.876  14.876
   34   1HB   GLN  68          2HB       GLN  68 -10.382  15.745  15.745
   35   2HB   GLN  68          1HB       GLN  68  -9.587  14.222  14.222
   36   1HG   GLN  68          1HG       GLN  68  -7.540  15.119  15.119
   37   2HG   GLN  68          2HG       GLN  68  -7.933  16.127  16.127
   38   1HE2  GLN  68          2HE2      GLN  68  -7.341  18.595  18.595
   39   2HE2  GLN  68          1HE2      GLN  68  -6.521  17.567  17.567
   40    H    TRP  69           H        TRP  69 -11.976  13.231  13.231
   41    HA   TRP  69           HA       TRP  69 -10.726  10.653  10.653
   42   1HB   TRP  69          1HB       TRP  69 -13.445  11.787  11.787
   43   2HB   TRP  69          2HB       TRP  69 -13.384  10.124  10.124
   44    HD1  TRP  69           HD1      TRP  69 -10.726  11.153  11.153
   45    HE1  TRP  69           HE1      TRP  69 -11.184   9.987   9.987
   46    HE3  TRP  69           HE3      TRP  69 -15.357   9.233   9.233
   47    HZ2  TRP  69          2HZ       TRP  69 -13.237   8.456   8.456
   48    HZ3  TRP  69           HZ3      TRP  69 -16.499   7.930   7.930
   49    HH2  TRP  69           HH2      TRP  69 -15.460   7.550   7.550
   50    H    GLN  70           H        GLN  70 -12.358  12.451  12.451
   51    HA   GLN  70           HA       GLN  70 -12.719  10.313  10.313
   52   1HB   GLN  70          1HB       GLN  70 -14.030  12.282  12.282
   53   2HB   GLN  70          2HB       GLN  70 -12.605  13.310  13.310
   54   1HG   GLN  70          2HG       GLN  70 -12.428  13.106  13.106
   55   2HG   GLN  70          1HG       GLN  70 -12.468  11.346  11.346
   56   1HE2  GLN  70          2HE2      GLN  70 -16.069  13.269  13.269
   57   2HE2  GLN  70          1HE2      GLN  70 -14.823  13.918  13.918
   58    H    ALA  71           H        ALA  71  -9.994  12.262  12.262
   59    HA   ALA  71           HA       ALA  71  -8.515  11.483  11.483
   60   1HB   ALA  71          3HB       ALA  71  -8.443  13.823  13.823
   61   2HB   ALA  71          2HB       ALA  71  -7.485  13.153  13.153
   62   3HB   ALA  71          1HB       ALA  71  -6.883  13.070  13.070
   63    H    ASP  72           H        ASP  72  -8.271  11.164  11.164
   64    HA   ASP  72           HA       ASP  72  -5.954   9.524   9.524
   65   1HB   ASP  72          2HB       ASP  72  -8.013  10.013  10.013
   66   2HB   ASP  72          1HB       ASP  72  -6.581   9.017   9.017
   67    H    GLU  73           H        GLU  73  -9.414   8.801   8.801
   68    HA   GLU  73           HA       GLU  73  -9.294   6.085   6.085
   69   1HB   GLU  73          1HB       GLU  73 -11.367   7.483   7.483
   70   2HB   GLU  73          2HB       GLU  73 -11.311   7.463   7.463
   71   1HG   GLU  73          2HG       GLU  73 -12.138   5.389   5.389
   72   2HG   GLU  73          1HG       GLU  73 -11.191   4.816   4.816
   73    H    GLU  74           H        GLU  74  -9.113   7.805   7.805
   74    HA   GLU  74           HA       GLU  74  -8.877   5.354   5.354
   75   1HB   GLU  74          2HB       GLU  74  -9.014   8.258   8.258
   76   2HB   GLU  74          1HB       GLU  74  -8.205   7.222   7.222
   77   1HG   GLU  74          2HG       GLU  74 -10.344   5.764   5.764
   78   2HG   GLU  74          1HG       GLU  74 -11.062   7.239   7.239
   79    H    ALA  75           H        ALA  75  -6.772   7.603   7.603
   80    HA   ALA  75           HA       ALA  75  -4.425   7.198   7.198
   81   1HB   ALA  75          3HB       ALA  75  -5.120   8.782   8.782
   82   2HB   ALA  75          2HB       ALA  75  -4.018   7.627   7.627
   83   3HB   ALA  75          1HB       ALA  75  -3.484   8.587   8.587
   84    H    VAL  76           H        VAL  76  -5.515   5.693   5.693
   85    HA   VAL  76           HA       VAL  76  -3.383   3.911   3.911
   86    HB   VAL  76           HB       VAL  76  -5.762   4.465   4.465
   87   1HG1  VAL  76          1HG1      VAL  76  -5.565   1.549   1.549
   88   2HG1  VAL  76          3HG1      VAL  76  -6.317   2.118   2.118
   89   3HG1  VAL  76          2HG1      VAL  76  -6.974   2.607   2.607
   90   1HG2  VAL  76          2HG2      VAL  76  -3.484   4.372   4.372
   91   2HG2  VAL  76          1HG2      VAL  76  -4.605   3.412   3.412
   92   3HG2  VAL  76          3HG2      VAL  76  -3.504   2.615   2.615
   93    H    ARG  77           H        ARG  77  -6.499   3.542   3.542
   94    HA   ARG  77           HA       ARG  77  -6.338   0.869   0.869
   95   1HB   ARG  77          1HB       ARG  77  -8.017   3.005   3.005
   96   2HB   ARG  77          2HB       ARG  77  -7.375   2.520   2.520
   97   1HG   ARG  77          1HG       ARG  77  -8.327   0.420   0.420
   98   2HG   ARG  77          2HG       ARG  77  -8.469   0.462   0.462
   99   1HD   ARG  77          1HD       ARG  77 -10.241   2.101   2.101
  100   2HD   ARG  77          2HD       ARG  77 -10.056   2.186   2.186
  101    HE   ARG  77           HE       ARG  77 -10.574  -0.464  -0.464
  102   1HH1  ARG  77          1HH1      ARG  77 -12.182   2.615   2.615
  103   2HH1  ARG  77          2HH1      ARG  77 -13.772   1.941   1.941
  104   1HH2  ARG  77          1HH2      ARG  77 -12.661  -1.360  -1.360
  105   2HH2  ARG  77          2HH2      ARG  77 -14.044  -0.320  -0.320
  106    H    SER  78           H        SER  78  -5.034   3.715   3.715
  107    HA   SER  78           HA       SER  78  -3.664   2.000   2.000
  108   1HB   SER  78          1HB       SER  78  -4.856   4.465   4.465
  109   2HB   SER  78          2HB       SER  78  -3.148   4.888   4.888
  110    HG   SER  78           HG       SER  78  -4.513   3.654   3.654
  111    H    ALA  79           H        ALA  79  -2.969   2.440   2.440
  112    HA   ALA  79           HA       ALA  79  -1.099   2.566   2.566
  113   1HB   ALA  79          1HB       ALA  79   0.012   1.714   1.714
  114   2HB   ALA  79          3HB       ALA  79   1.067   1.979   1.979
  115   3HB   ALA  79          2HB       ALA  79  -0.213   0.768   0.768
  116    H    THR  80           H        THR  80  -1.353   4.812   4.812
  117    HA   THR  80           HA       THR  80   0.892   6.371   6.371
  118    HB   THR  80           HB       THR  80   0.476   6.608   6.608
  119    HG1  THR  80          1HG       THR  80  -0.724   8.885   8.885
  120   1HG2  THR  80          3HG2      THR  80  -2.387   7.223   7.223
  121   2HG2  THR  80          2HG2      THR  80  -1.657   7.407   7.407
  122   3HG2  THR  80          1HG2      THR  80  -1.774   5.809   5.809
  123    H    CYS  81           H        CYS  81  -0.571   5.935   5.935
  124    HA   CYS  81           HA       CYS  81  -1.963   8.493   8.493
  125   1HB   CYS  81          2HB       CYS  81  -3.062   5.976   5.976
  126   2HB   CYS  81          1HB       CYS  81  -2.582   6.352   6.352
  127    HG   CYS  81           HG       CYS  81  -4.908   7.585   7.585
  128    H    SER  82           H        SER  82  -1.920   9.164   9.164
  129    HA   SER  82           HA       SER  82   0.169   8.194   8.194
  130   1HB   SER  82          1HB       SER  82   0.694  10.515  10.515
  131   2HB   SER  82          2HB       SER  82   1.286  10.619  10.619
  132    HG   SER  82           HG       SER  82   2.661   9.593   9.593
  133    H    PHE  83           H        PHE  83   0.364   9.452   9.452
  134    HA   PHE  83           HA       PHE  83  -1.400  11.612  11.612
  135   1HB   PHE  83          1HB       PHE  83  -2.255   8.828   8.828
  136   2HB   PHE  83          2HB       PHE  83  -2.666  10.154  10.154
  137    HD1  PHE  83           HD1      PHE  83  -3.607  12.299  12.299
  138    HD2  PHE  83           HD2      PHE  83  -3.874   8.230   8.230
  139    HE1  PHE  83           HE1      PHE  83  -5.554  12.849  12.849
  140    HE2  PHE  83           HE2      PHE  83  -5.819   8.772   8.772
  141    HZ   PHE  83           HZ       PHE  83  -6.662  11.085  11.085
  142    H    SER  84           H        SER  84  -0.896  12.612  12.612
  143    HA   SER  84           HA       SER  84   1.589  12.083  12.083
  144   1HB   SER  84          1HB       SER  84   0.292  14.279  14.279
  145   2HB   SER  84          2HB       SER  84  -0.645  13.607  13.607
  146    HG   SER  84           HG       SER  84   1.265  14.914  14.914
  147    H    VAL  85           H        VAL  85   2.044  11.491  11.491
  148    HA   VAL  85           HA       VAL  85   0.132  10.251  10.251
  149    HB   VAL  85           HB       VAL  85   0.115   8.559   8.559
  150   1HG1  VAL  85          2HG2      VAL  85   3.050   8.506   8.506
  151   2HG1  VAL  85          1HG2      VAL  85   2.232   7.079   7.079
  152   3HG1  VAL  85          3HG2      VAL  85   2.220   8.587   8.587
  153   1HG2  VAL  85          3HG1      VAL  85  -0.273   7.984   7.984
  154   2HG2  VAL  85          2HG1      VAL  85   0.326   6.643   6.643
  155   3HG2  VAL  85          1HG1      VAL  85   1.422   7.504   7.504
  156    H    LYS  86           H        LYS  86   1.076   9.155   9.155
  157    HA   LYS  86           HA       LYS  86   3.849  10.019  10.019
  158   1HB   LYS  86          2HB       LYS  86   1.405   9.995   9.995
  159   2HB   LYS  86          1HB       LYS  86   2.977   9.778   9.778
  160   1HG   LYS  86          2HG       LYS  86   3.563  11.927  11.927
  161   2HG   LYS  86          1HG       LYS  86   1.817  12.167  12.167
  162   1HD   LYS  86          1HD       LYS  86   1.847  12.319  12.319
  163   2HD   LYS  86          2HD       LYS  86   3.426  11.540  11.540
  164   1HE   LYS  86          2HE       LYS  86   4.468  13.500  13.500
  165   2HE   LYS  86          1HE       LYS  86   3.611  13.931  13.931
  166   1HZ   LYS  86          2HZ       LYS  86   2.134  14.128  14.128
  167   2HZ   LYS  86          1HZ       LYS  86   3.330  15.290  15.290
  168   3HZ   LYS  86          3HZ       LYS  86   2.056  15.104  15.104
  169    H    TYR  87           H        TYR  87   3.896   7.735   7.735
  170    HA   TYR  87           HA       TYR  87   3.307   5.356   5.356
  171   1HB   TYR  87          1HB       TYR  87   4.256   5.467   5.467
  172   2HB   TYR  87          2HB       TYR  87   5.784   6.056   6.056
  173    HD1  TYR  87           HD1      TYR  87   3.556   3.213   3.213
  174    HD2  TYR  87           HD2      TYR  87   7.419   4.462   4.462
  175    HE1  TYR  87           HE1      TYR  87   4.362   0.898   0.898
  176    HE2  TYR  87           HE2      TYR  87   8.236   2.150   2.150
  177    HH   TYR  87           HH2      TYR  87   7.748   0.094   0.094
  178    H    LEU  88           H        LEU  88   4.036   4.161   4.161
  179    HA   LEU  88           HA       LEU  88   5.818   5.382   5.382
  180   1HB   LEU  88          2HB       LEU  88   4.210   2.849   2.849
  181   2HB   LEU  88          1HB       LEU  88   5.410   3.110   3.110
  182    HG   LEU  88           HG       LEU  88   4.229   5.046   5.046
  183   1HD1  LEU  88          1HD2      LEU  88   2.330   4.613   4.613
  184   2HD1  LEU  88          3HD2      LEU  88   2.117   5.782   5.782
  185   3HD1  LEU  88          2HD2      LEU  88   3.465   5.951   5.951
  186   1HD2  LEU  88          1HD1      LEU  88   2.796   2.483   2.483
  187   2HD2  LEU  88          3HD1      LEU  88   3.286   3.322   3.322
  188   3HD2  LEU  88          2HD1      LEU  88   1.854   3.854   3.854
  189    H    GLY  89           H        GLY  89   5.822   2.236   2.236
  190   1HA   GLY  89          1HA       GLY  89   8.228   2.106   2.106
  191   2HA   GLY  89          2HA       GLY  89   8.665   1.939   1.939
  192    H    CYS  90           H        CYS  90   9.509  -0.150  -0.150
  193    HA   CYS  90           HA       CYS  90   7.409  -2.188  -2.188
  194   1HB   CYS  90          1HB       CYS  90   8.973  -3.597  -3.597
  195   2HB   CYS  90          2HB       CYS  90   8.999  -2.015  -2.015
  196    HG   CYS  90           HG       CYS  90  11.441  -2.463  -2.463
  197    H    VAL  91           H        VAL  91   7.462  -3.985  -3.985
  198    HA   VAL  91           HA       VAL  91   9.546  -4.083  -4.083
  199    HB   VAL  91           HB       VAL  91   7.740  -4.728  -4.728
  200   1HG1  VAL  91          1HG1      VAL  91   8.461  -2.089  -2.089
  201   2HG1  VAL  91          3HG1      VAL  91   6.918  -2.108  -2.108
  202   3HG1  VAL  91          2HG1      VAL  91   8.376  -2.690  -2.690
  203   1HG2  VAL  91          1HG2      VAL  91   6.048  -3.731  -3.731
  204   2HG2  VAL  91          3HG2      VAL  91   5.877  -5.211  -5.211
  205   3HG2  VAL  91          2HG2      VAL  91   5.492  -3.652  -3.652
  206    H    GLU  92           H        GLU  92  10.112  -6.116  -6.116
  207    HA   GLU  92           HA       GLU  92   9.508  -8.287  -8.287
  208   1HB   GLU  92          2HB       GLU  92  10.780  -8.684  -8.684
  209   2HB   GLU  92          1HB       GLU  92  11.131  -9.484  -9.484
  210   1HG   GLU  92          1HG       GLU  92  11.926  -7.117  -7.117
  211   2HG   GLU  92          2HG       GLU  92  12.037  -6.827  -6.827
  212    H    VAL  93           H        VAL  93   7.886  -9.694  -9.694
  213    HA   VAL  93           HA       VAL  93   6.535 -10.096 -10.096
  214    HB   VAL  93           HB       VAL  93   4.399 -10.409 -10.409
  215   1HG1  VAL  93          2HG1      VAL  93   5.115  -8.312  -8.312
  216   2HG1  VAL  93          1HG1      VAL  93   5.502  -7.635  -7.635
  217   3HG1  VAL  93          3HG1      VAL  93   3.848  -8.121  -8.121
  218   1HG2  VAL  93          1HG2      VAL  93   5.632 -10.683 -10.683
  219   2HG2  VAL  93          3HG2      VAL  93   4.177  -9.687  -9.687
  220   3HG2  VAL  93          2HG2      VAL  93   5.768  -8.925  -8.925
  221    H    PHE  94           H        PHE  94   4.977 -12.105 -12.105
  222    HA   PHE  94           HA       PHE  94   6.699 -14.280 -14.280
  223   1HB   PHE  94          1HB       PHE  94   4.604 -13.973 -13.973
  224   2HB   PHE  94          2HB       PHE  94   4.677 -15.542 -15.542
  225    HD1  PHE  94           HD1      PHE  94   7.414 -13.198 -13.198
  226    HD2  PHE  94           HD2      PHE  94   5.591 -16.991 -16.991
  227    HE1  PHE  94           HE1      PHE  94   9.284 -13.846 -13.846
  228    HE2  PHE  94           HE2      PHE  94   7.458 -17.646 -17.646
  229    HZ   PHE  94           HZ       PHE  94   9.307 -16.072 -16.072
  230    H    GLU  95           H        GLU  95   4.346 -12.515 -12.515
  231    HA   GLU  95           HA       GLU  95   3.709 -14.648 -14.648
  232   1HB   GLU  95          1HB       GLU  95   1.734 -13.529 -13.529
  233   2HB   GLU  95          2HB       GLU  95   1.195 -13.700 -13.700
  234   1HG   GLU  95          2HG       GLU  95   2.532 -15.998 -15.998
  235   2HG   GLU  95          1HG       GLU  95   0.850 -15.628 -15.628
  236    H    SER  96           H        SER  96   2.460 -13.825 -13.825
  237    HA   SER  96           HA       SER  96   2.811 -10.941 -10.941
  238   1HB   SER  96          1HB       SER  96   3.654 -11.368 -11.368
  239   2HB   SER  96          2HB       SER  96   4.718 -12.070 -12.070
  240    HG   SER  96           HG       SER  96   3.410 -13.288 -13.288
  241    H    ARG  97           H        ARG  97   0.509 -12.781 -12.781
  242    HA   ARG  97           HA       ARG  97  -1.198 -11.802 -11.802
  243   1HB   ARG  97          1HB       ARG  97  -2.352 -14.048 -14.048
  244   2HB   ARG  97          2HB       ARG  97  -0.747 -13.996 -13.996
  245   1HG   ARG  97          2HG       ARG  97   0.211 -15.164 -15.164
  246   2HG   ARG  97          1HG       ARG  97  -1.205 -14.909 -14.909
  247   1HD   ARG  97          1HD       ARG  97  -1.064 -16.627 -16.627
  248   2HD   ARG  97          2HD       ARG  97  -1.147 -17.197 -17.197
  249    HE   ARG  97           HE       ARG  97  -3.368 -15.672 -15.672
  250   1HH1  ARG  97          2HH2      ARG  97  -2.048 -18.296 -18.296
  251   2HH1  ARG  97          1HH2      ARG  97  -3.595 -18.875 -18.875
  252   1HH2  ARG  97          2HH1      ARG  97  -5.411 -16.426 -16.426
  253   2HH2  ARG  97          1HH1      ARG  97  -5.508 -17.812 -17.812
  254    H    GLY  98           H        GLY  98  -3.566 -12.198 -12.198
  255   1HA   GLY  98          1HA       GLY  98  -5.312 -12.285 -12.285
  256   2HA   GLY  98          2HA       GLY  98  -4.130 -12.491 -12.491
  257    H    MET  99           H        MET  99  -6.418 -10.741 -10.741
  258    HA   MET  99           HA       MET  99  -5.352  -8.061  -8.061
  259   1HB   MET  99          2HB       MET  99  -7.822  -8.982  -8.982
  260   2HB   MET  99          1HB       MET  99  -7.979  -8.561  -8.561
  261   1HG   MET  99          1HG       MET  99  -6.754  -6.353  -6.353
  262   2HG   MET  99          2HG       MET  99  -7.958  -6.861  -6.861
  263   1HE   MET  99          3HE       MET  99  -7.267  -4.535  -4.535
  264   2HE   MET  99          2HE       MET  99  -8.648  -4.350  -4.350
  265   3HE   MET  99          1HE       MET  99  -7.493  -5.658  -5.658
  266    H    GLN 100           H        GLN 100  -5.807 -10.395 -10.395
  267    HA   GLN 100           HA       GLN 100  -5.887  -8.682  -8.682
  268   1HB   GLN 100          1HB       GLN 100  -4.744 -11.478 -11.478
  269   2HB   GLN 100          2HB       GLN 100  -5.275 -10.643 -10.643
  270   1HG   GLN 100          2HG       GLN 100  -7.519 -10.519 -10.519
  271   2HG   GLN 100          1HG       GLN 100  -6.830 -12.046 -12.046
  272   1HE2  GLN 100          2HE2      GLN 100  -8.547 -13.504 -13.504
  273   2HE2  GLN 100          1HE2      GLN 100  -8.403 -13.302 -13.302
  274    H    VAL 101           H        VAL 101  -3.192 -10.193 -10.193
  275    HA   VAL 101           HA       VAL 101  -1.152  -9.347  -9.347
  276    HB   VAL 101           HB       VAL 101  -0.909  -9.888  -9.888
  277   1HG1  VAL 101          2HG1      VAL 101   0.977  -8.725  -8.725
  278   2HG1  VAL 101          1HG1      VAL 101   1.245 -10.342 -10.342
  279   3HG1  VAL 101          3HG1      VAL 101   1.375 -10.055 -10.055
  280   1HG2  VAL 101          2HG2      VAL 101  -1.104 -11.690 -11.690
  281   2HG2  VAL 101          1HG2      VAL 101  -1.775 -11.877 -11.877
  282   3HG2  VAL 101          3HG2      VAL 101  -0.056 -12.151 -12.151
  283    H    CYS 102           H        CYS 102  -2.808  -7.764  -7.764
  284    HA   CYS 102           HA       CYS 102  -0.936  -5.650  -5.650
  285   1HB   CYS 102          2HB       CYS 102  -3.868  -5.846  -5.846
  286   2HB   CYS 102          1HB       CYS 102  -2.809  -4.533  -4.533
  287    HG   CYS 102           HG       CYS 102  -1.723  -6.010  -6.010
  288    H    GLU 103           H        GLU 103  -4.169  -5.685  -5.685
  289    HA   GLU 103           HA       GLU 103  -4.226  -3.142  -3.142
  290   1HB   GLU 103          2HB       GLU 103  -5.704  -5.511  -5.511
  291   2HB   GLU 103          1HB       GLU 103  -5.274  -4.962  -4.962
  292   1HG   GLU 103          1HG       GLU 103  -6.341  -2.871  -2.871
  293   2HG   GLU 103          2HG       GLU 103  -6.547  -3.179  -3.179
  294    H    GLU 104           H        GLU 104  -2.580  -5.957  -5.957
  295    HA   GLU 104           HA       GLU 104  -1.730  -4.530  -4.530
  296   1HB   GLU 104          1HB       GLU 104  -0.597  -6.594  -6.594
  297   2HB   GLU 104          2HB       GLU 104  -2.238  -6.948  -6.948
  298   1HG   GLU 104          1HG       GLU 104  -1.418  -7.659  -7.659
  299   2HG   GLU 104          2HG       GLU 104   0.230  -7.250  -7.250
  300    H    ALA 105           H        ALA 105  -0.278  -5.710  -5.710
  301    HA   ALA 105           HA       ALA 105   2.384  -5.182  -5.182
  302   1HB   ALA 105          2HB       ALA 105   0.819  -4.849  -4.849
  303   2HB   ALA 105          1HB       ALA 105   2.579  -4.813  -4.813
  304   3HB   ALA 105          3HB       ALA 105   1.702  -6.278  -6.278
  305    H    LEU 106           H        LEU 106  -0.076  -2.931  -2.931
  306    HA   LEU 106           HA       LEU 106   1.521  -0.688  -0.688
  307   1HB   LEU 106          1HB       LEU 106  -1.177  -1.259  -1.259
  308   2HB   LEU 106          2HB       LEU 106  -1.101  -0.077  -0.077
  309    HG   LEU 106           HG       LEU 106   0.289   0.469   0.469
  310   1HD1  LEU 106          2HD2      LEU 106  -2.652   0.792   0.792
  311   2HD1  LEU 106          1HD2      LEU 106  -1.797   1.622   1.622
  312   3HD1  LEU 106          3HD2      LEU 106  -1.897  -0.139  -0.139
  313   1HD2  LEU 106          1HD1      LEU 106   0.586   1.887   1.887
  314   2HD2  LEU 106          3HD1      LEU 106   0.018   2.741   2.741
  315   3HD2  LEU 106          2HD1      LEU 106  -1.115   2.325   2.325
  316    H    LYS 107           H        LYS 107  -0.324  -1.662  -1.662
  317    HA   LYS 107           HA       LYS 107   0.353   0.402   0.402
  318   1HB   LYS 107          2HB       LYS 107  -1.259  -1.126  -1.126
  319   2HB   LYS 107          1HB       LYS 107  -0.230  -2.514  -2.514
  320   1HG   LYS 107          2HG       LYS 107   0.618  -0.522  -0.522
  321   2HG   LYS 107          1HG       LYS 107  -0.649  -1.687  -1.687
  322   1HD   LYS 107          2HD       LYS 107   1.674  -2.885  -2.885
  323   2HD   LYS 107          1HD       LYS 107   2.052  -2.123  -2.123
  324   1HE   LYS 107          1HE       LYS 107  -0.393  -3.706  -3.706
  325   2HE   LYS 107          2HE       LYS 107   1.033  -4.655  -4.655
  326   1HZ   LYS 107          2HZ       LYS 107   1.979  -3.253  -3.253
  327   2HZ   LYS 107          1HZ       LYS 107   0.352  -3.339  -3.339
  328   3HZ   LYS 107          3HZ       LYS 107   1.230  -4.759  -4.759
  329    H    VAL 108           H        VAL 108   2.157  -2.537  -2.537
  330    HA   VAL 108           HA       VAL 108   4.223  -2.137  -2.137
  331    HB   VAL 108           HB       VAL 108   4.730  -3.590  -3.590
  332   1HG1  VAL 108          2HG1      VAL 108   6.486  -3.382  -3.382
  333   2HG1  VAL 108          1HG1      VAL 108   5.428  -4.194  -4.194
  334   3HG1  VAL 108          3HG1      VAL 108   6.005  -5.056  -5.056
  335   1HG2  VAL 108          2HG2      VAL 108   2.631  -4.211  -4.211
  336   2HG2  VAL 108          1HG2      VAL 108   2.791  -4.708  -4.708
  337   3HG2  VAL 108          3HG2      VAL 108   3.692  -5.554  -5.554
  338    H    LEU 109           H        LEU 109   3.777  -1.080  -1.080
  339    HA   LEU 109           HA       LEU 109   6.346  -0.254  -0.254
  340   1HB   LEU 109          1HB       LEU 109   3.666   0.271   0.271
  341   2HB   LEU 109          2HB       LEU 109   4.664   1.708   1.708
  342    HG   LEU 109           HG       LEU 109   4.862   0.617   0.617
  343   1HD1  LEU 109          1HD2      LEU 109   7.103   0.823   0.823
  344   2HD1  LEU 109          3HD2      LEU 109   7.332  -0.566  -0.566
  345   3HD1  LEU 109          2HD2      LEU 109   7.037   1.033   1.033
  346   1HD2  LEU 109          1HD1      LEU 109   4.995  -1.854  -1.854
  347   2HD2  LEU 109          3HD1      LEU 109   4.061  -1.515  -1.515
  348   3HD2  LEU 109          2HD1      LEU 109   5.791  -1.838  -1.838
  349    H    ARG 110           H        ARG 110   3.851   1.398   1.398
  350    HA   ARG 110           HA       ARG 110   5.393   3.800   3.800
  351   1HB   ARG 110          2HB       ARG 110   2.759   2.791   2.791
  352   2HB   ARG 110          1HB       ARG 110   3.530   3.949   3.949
  353   1HG   ARG 110          1HG       ARG 110   3.281   5.669   5.669
  354   2HG   ARG 110          2HG       ARG 110   3.479   4.646   4.646
  355   1HD   ARG 110          1HD       ARG 110   1.276   4.297   4.297
  356   2HD   ARG 110          2HD       ARG 110   1.067   4.059   4.059
  357    HE   ARG 110           HE       ARG 110   1.498   6.800   6.800
  358   1HH1  ARG 110          1HH1      ARG 110  -0.866   4.280   4.280
  359   2HH1  ARG 110          2HH1      ARG 110  -2.184   5.378   5.378
  360   1HH2  ARG 110          1HH2      ARG 110  -0.228   8.256   8.256
  361   2HH2  ARG 110          2HH2      ARG 110  -1.821   7.639   7.639
  362    H    GLN 111           H        GLN 111   4.422   1.162   1.162
  363    HA   GLN 111           HA       GLN 111   5.716   1.944   1.944
  364   1HB   GLN 111          1HB       GLN 111   5.038  -0.726  -0.726
  365   2HB   GLN 111          2HB       GLN 111   6.023  -0.660  -0.660
  366   1HG   GLN 111          1HG       GLN 111   3.547   0.954   0.954
  367   2HG   GLN 111          2HG       GLN 111   3.363  -0.798  -0.798
  368   1HE2  GLN 111          2HE2      GLN 111   3.591  -0.567  -0.567
  369   2HE2  GLN 111          1HE2      GLN 111   2.647  -0.974  -0.974
  370    H    SER 112           H        SER 112   7.076   0.382   0.382
  371    HA   SER 112           HA       SER 112   9.647  -0.071  -0.071
  372   1HB   SER 112          1HB       SER 112   8.342  -0.923  -0.923
  373   2HB   SER 112          2HB       SER 112   9.649   0.093   0.093
  374    HG   SER 112           HG       SER 112   9.865  -2.368  -2.368
  375    H    ARG 113           H        ARG 113  11.423   0.815   0.815
  376    HA   ARG 113           HA       ARG 113  11.386   3.702   3.702
  377   1HB   ARG 113          2HB       ARG 113  13.870   3.075   3.075
  378   2HB   ARG 113          1HB       ARG 113  13.519   3.376   3.376
  379   1HG   ARG 113          2HG       ARG 113  14.681   1.361   1.361
  380   2HG   ARG 113          1HG       ARG 113  12.990   0.883   0.883
  381   1HD   ARG 113          1HD       ARG 113  13.312  -0.462  -0.462
  382   2HD   ARG 113          2HD       ARG 113  13.411   0.990   0.990
  383    HE   ARG 113           HE       ARG 113  15.934   0.702   0.702
  384   1HH1  ARG 113          1HH1      ARG 113  13.725  -1.426  -1.426
  385   2HH1  ARG 113          2HH1      ARG 113  14.978  -2.326  -2.326
  386   1HH2  ARG 113          1HH2      ARG 113  17.591  -0.477  -0.477
  387   2HH2  ARG 113          2HH2      ARG 113  17.176  -1.786  -1.786
  388    H    ARG 114           H        ARG 114   9.792   2.476   2.476
  389    HA   ARG 114           HA       ARG 114  11.101   3.226   3.226
  390   1HB   ARG 114          2HB       ARG 114   8.521   1.867   1.867
  391   2HB   ARG 114          1HB       ARG 114   8.757   2.527   2.527
  392   1HG   ARG 114          2HG       ARG 114  10.594   0.526   0.526
  393   2HG   ARG 114          1HG       ARG 114   9.276   0.109   0.109
  394   1HD   ARG 114          1HD       ARG 114  10.666   0.407   0.407
  395   2HD   ARG 114          2HD       ARG 114  10.747   2.119   2.119
  396    HE   ARG 114           HE       ARG 114  12.839   1.777   1.777
  397   1HH1  ARG 114          1HH1      ARG 114  11.284  -1.299  -1.299
  398   2HH1  ARG 114          2HH1      ARG 114  12.714  -2.220  -2.220
  399   1HH2  ARG 114          1HH2      ARG 114  14.725   0.573   0.573
  400   2HH2  ARG 114          2HH2      ARG 114  14.670  -1.156  -1.156
  401    H    ARG 115           H        ARG 115  11.274   5.489   5.489
  402    HA   ARG 115           HA       ARG 115   9.141   7.158   7.158
  403   1HB   ARG 115          1HB       ARG 115  11.768   7.652   7.652
  404   2HB   ARG 115          2HB       ARG 115  10.619   8.955   8.955
  405   1HG   ARG 115          1HG       ARG 115  10.726   8.628   8.628
  406   2HG   ARG 115          2HG       ARG 115  11.760   7.213   7.213
  407   1HD   ARG 115          2HD       ARG 115  12.412  10.094  10.094
  408   2HD   ARG 115          1HD       ARG 115  13.183   9.014   9.014
  409    HE   ARG 115           HE       ARG 115  13.801   9.268   9.268
  410   1HH1  ARG 115          1HH1      ARG 115  13.684   7.002   7.002
  411   2HH1  ARG 115          2HH1      ARG 115  14.903   5.966   5.966
  412   1HH2  ARG 115          1HH2      ARG 115  15.408   7.911   7.911
  413   2HH2  ARG 115          2HH2      ARG 115  15.883   6.483   6.483
  414    HA   PRO 116           HA       PRO 116   6.762   7.057   7.057
  415   1HB   PRO 116          2HB       PRO 116   5.666   9.622   9.622
  416   2HB   PRO 116          1HB       PRO 116   4.826   8.124   8.124
  417   1HG   PRO 116          1HG       PRO 116   5.122   8.894   8.894
  418   2HG   PRO 116          2HG       PRO 116   5.201   7.185   7.185
  419   1HD   PRO 116          1HD       PRO 116   7.422   9.078   9.078
  420   2HD   PRO 116          2HD       PRO 116   7.235   7.363   7.363
  421    H    VAL 117           H        VAL 117   6.487   8.294   8.294
  422    HA   VAL 117           HA       VAL 117   8.598  10.292  10.292
  423    HB   VAL 117           HB       VAL 117   7.921   9.791   9.791
  424   1HG1  VAL 117          1HG1      VAL 117  10.037   9.180   9.180
  425   2HG1  VAL 117          3HG1      VAL 117   9.493   7.563   7.563
  426   3HG1  VAL 117          2HG1      VAL 117   9.906   8.738   8.738
  427   1HG2  VAL 117          1HG2      VAL 117   6.102   8.183   8.183
  428   2HG2  VAL 117          3HG2      VAL 117   6.973   7.771   7.771
  429   3HG2  VAL 117          2HG2      VAL 117   7.452   7.048   7.048
  430    H    ARG 118           H        ARG 118   7.902  11.706  11.706
  431    HA   ARG 118           HA       ARG 118   5.136  12.567  12.567
  432   1HB   ARG 118          2HB       ARG 118   6.485  13.817  13.817
  433   2HB   ARG 118          1HB       ARG 118   7.325  14.595  14.595
  434   1HG   ARG 118          2HG       ARG 118   4.842  15.108  15.108
  435   2HG   ARG 118          1HG       ARG 118   4.547  14.948  14.948
  436   1HD   ARG 118          1HD       ARG 118   6.081  16.686  16.686
  437   2HD   ARG 118          2HD       ARG 118   6.702  16.710  16.710
  438    HE   ARG 118           HE       ARG 118   4.106  17.325  17.325
  439   1HH1  ARG 118          1HH1      ARG 118   6.557  18.575  18.575
  440   2HH1  ARG 118          2HH1      ARG 118   5.883  20.170  20.170
  441   1HH2  ARG 118          1HH2      ARG 118   3.209  19.422  19.422
  442   2HH2  ARG 118          2HH2      ARG 118   3.979  20.651  20.651
  443    H    GLY 119           H        GLY 119   5.509  11.529  11.529
  444   1HA   GLY 119          2HA       GLY 119   6.280  13.634  13.634
  445   2HA   GLY 119          1HA       GLY 119   6.970  12.030  12.030
  446    H    LEU 120           H        LEU 120   6.060  11.125  11.125
  447    HA   LEU 120           HA       LEU 120   3.128  11.058  11.058
  448   1HB   LEU 120          2HB       LEU 120   3.972  12.805  12.805
  449   2HB   LEU 120          1HB       LEU 120   4.959  11.603  11.603
  450    HG   LEU 120           HG       LEU 120   2.433  10.510  10.510
  451   1HD1  LEU 120          3HD2      LEU 120   1.456  12.592  12.592
  452   2HD1  LEU 120          2HD2      LEU 120   2.210  13.478  13.478
  453   3HD1  LEU 120          1HD2      LEU 120   0.972  12.268  12.268
  454   1HD2  LEU 120          3HD1      LEU 120   4.413  11.659  11.659
  455   2HD2  LEU 120          2HD1      LEU 120   3.309  10.314  10.314
  456   3HD2  LEU 120          1HD1      LEU 120   2.785  11.967  11.967
  457    H    LEU 121           H        LEU 121   2.237   9.174   9.174
  458    HA   LEU 121           HA       LEU 121   4.060   6.922   6.922
  459   1HB   LEU 121          1HB       LEU 121   2.374   6.513   6.513
  460   2HB   LEU 121          2HB       LEU 121   1.109   7.114   7.114
  461    HG   LEU 121           HG       LEU 121   1.659   5.135   5.135
  462   1HD1  LEU 121          1HD1      LEU 121   3.843   4.768   4.768
  463   2HD1  LEU 121          3HD1      LEU 121   2.778   3.836   3.836
  464   3HD1  LEU 121          2HD1      LEU 121   2.950   3.390   3.390
  465   1HD2  LEU 121          3HD2      LEU 121   0.484   4.710   4.710
  466   2HD2  LEU 121          2HD2      LEU 121  -0.371   5.173   5.173
  467   3HD2  LEU 121          1HD2      LEU 121   0.341   3.564   3.564
  468    H    HIS 122           H        HIS 122   4.480   6.103   6.103
  469    HA   HIS 122           HA       HIS 122   3.074   7.116   7.116
  470   1HB   HIS 122          2HB       HIS 122   5.463   5.295   5.295
  471   2HB   HIS 122          1HB       HIS 122   4.788   5.740   5.740
  472    HD1  HIS 122           HD1      HIS 122   6.541   7.289   7.289
  473    HD2  HIS 122           HD2      HIS 122   5.548   8.183   8.183
  474    HE1  HIS 122           HE1      HIS 122   7.750   9.436   9.436
  475    H    VAL 123           H        VAL 123   1.136   6.211   6.211
  476    HA   VAL 123           HA       VAL 123   0.929   3.275   3.275
  477    HB   VAL 123           HB       VAL 123  -1.274   5.340   5.340
  478   1HG1  VAL 123          2HG1      VAL 123  -1.851   3.169   3.169
  479   2HG1  VAL 123          1HG1      VAL 123  -1.528   2.367   2.367
  480   3HG1  VAL 123          3HG1      VAL 123  -2.816   3.566   3.566
  481   1HG2  VAL 123          2HG2      VAL 123   0.290   4.983   4.983
  482   2HG2  VAL 123          1HG2      VAL 123  -1.449   4.871   4.871
  483   3HG2  VAL 123          3HG2      VAL 123  -0.480   3.402   3.402
  484    H    SER 124           H        SER 124   1.325   2.515   2.515
  485    HA   SER 124           HA       SER 124  -0.163   3.728   3.728
  486   1HB   SER 124          1HB       SER 124   2.340   2.430   2.430
  487   2HB   SER 124          2HB       SER 124   1.698   4.007   4.007
  488    HG   SER 124           HG       SER 124   3.660   3.502   3.502
  489    H    GLY 125           H        GLY 125  -1.091   1.565   1.565
  490   1HA   GLY 125          2HA       GLY 125  -1.712  -0.668  -0.668
  491   2HA   GLY 125          1HA       GLY 125  -2.085  -0.204  -0.204
  492    H    ASP 126           H        ASP 126   1.006  -0.720  -0.720
  493    HA   ASP 126           HA       ASP 126   1.557  -3.127  -3.127
  494   1HB   ASP 126          1HB       ASP 126   2.034  -1.056  -1.056
  495   2HB   ASP 126          2HB       ASP 126   3.495  -0.915  -0.915
  496    H    GLY 127           H        GLY 127   2.874  -0.464  -0.464
  497   1HA   GLY 127          2HA       GLY 127   3.862  -2.234  -2.234
  498   2HA   GLY 127          1HA       GLY 127   5.175  -1.683  -1.683
  499    H    LEU 128           H        LEU 128   3.579  -1.082  -1.082
  500    HA   LEU 128           HA       LEU 128   3.397   1.737   1.737
  501   1HB   LEU 128          1HB       LEU 128   3.863  -0.136  -0.136
  502   2HB   LEU 128          2HB       LEU 128   3.304   1.516   1.516
  503    HG   LEU 128           HG       LEU 128   1.203   0.791   0.791
  504   1HD1  LEU 128          2HD2      LEU 128   1.561   1.027   1.027
  505   2HD1  LEU 128          1HD2      LEU 128   1.552  -0.736  -0.736
  506   3HD1  LEU 128          3HD2      LEU 128   0.146   0.150   0.150
  507   1HD2  LEU 128          3HD1      LEU 128   2.117  -1.252  -1.252
  508   2HD2  LEU 128          2HD1      LEU 128   0.672  -1.566  -1.566
  509   3HD2  LEU 128          1HD1      LEU 128   2.265  -1.958  -1.958
  510    H    ARG 129           H        ARG 129   4.861   3.296   3.296
  511    HA   ARG 129           HA       ARG 129   7.506   2.561   2.561
  512   1HB   ARG 129          1HB       ARG 129   7.079   4.237   4.237
  513   2HB   ARG 129          2HB       ARG 129   8.627   3.869   3.869
  514   1HG   ARG 129          2HG       ARG 129   7.649   1.375   1.375
  515   2HG   ARG 129          1HG       ARG 129   6.943   2.241   2.241
  516   1HD   ARG 129          2HD       ARG 129   9.823   2.668   2.668
  517   2HD   ARG 129          1HD       ARG 129   9.343   1.142   1.142
  518    HE   ARG 129           HE       ARG 129   9.421   3.720   3.720
  519   1HH1  ARG 129          2HH1      ARG 129   7.899   0.588   0.588
  520   2HH1  ARG 129          1HH1      ARG 129   7.465   0.678   0.678
  521   1HH2  ARG 129          1HH2      ARG 129   8.855   3.849   3.849
  522   2HH2  ARG 129          2HH2      ARG 129   8.009   2.532   2.532
  523    H    VAL 130           H        VAL 130   6.916   3.594   3.594
  524    HA   VAL 130           HA       VAL 130   5.986   6.304   6.304
  525    HB   VAL 130           HB       VAL 130   5.324   4.802   4.802
  526   1HG1  VAL 130          1HG2      VAL 130   8.280   4.569   4.569
  527   2HG1  VAL 130          3HG2      VAL 130   7.133   4.240   4.240
  528   3HG1  VAL 130          2HG2      VAL 130   7.080   3.289   3.289
  529   1HG2  VAL 130          2HG1      VAL 130   5.464   7.192   7.192
  530   2HG2  VAL 130          1HG1      VAL 130   5.834   6.215   6.215
  531   3HG2  VAL 130          3HG1      VAL 130   7.138   6.987   6.987
  532    H    VAL 131           H        VAL 131   7.072   8.155   8.155
  533    HA   VAL 131           HA       VAL 131   9.961   8.004   8.004
  534    HB   VAL 131           HB       VAL 131   8.820  10.013  10.013
  535   1HG1  VAL 131          2HG1      VAL 131  11.427   9.436   9.436
  536   2HG1  VAL 131          1HG1      VAL 131  11.458   9.507   9.507
  537   3HG1  VAL 131          3HG1      VAL 131  10.851  10.879  10.879
  538   1HG2  VAL 131          2HG2      VAL 131   9.474   7.188   7.188
  539   2HG2  VAL 131          1HG2      VAL 131   8.444   8.286   8.286
  540   3HG2  VAL 131          3HG2      VAL 131  10.194   8.326   8.326
  541    H    ASP 132           H        ASP 132  10.838   9.866   9.866
  542    HA   ASP 132           HA       ASP 132   8.832  11.305  11.305
  543   1HB   ASP 132          2HB       ASP 132  10.577  10.185  10.185
  544   2HB   ASP 132          1HB       ASP 132  11.824  11.036  11.036
  545    H    ASP 133           H        ASP 133   8.855  13.571  13.571
  546    HA   ASP 133           HA       ASP 133   9.851  14.948  14.948
  547   1HB   ASP 133          2HB       ASP 133   7.463  15.151  15.151
  548   2HB   ASP 133          1HB       ASP 133   8.223  16.246  16.246
  549    H    GLU 134           H        GLU 134  11.530  14.109  14.109
  550    HA   GLU 134           HA       GLU 134  12.760  16.745  16.745
  551   1HB   GLU 134          1HB       GLU 134  11.588  15.882  15.882
  552   2HB   GLU 134          2HB       GLU 134  12.681  14.506  14.506
  553   1HG   GLU 134          1HG       GLU 134  14.433  15.707  15.707
  554   2HG   GLU 134          2HG       GLU 134  13.924  17.184  17.184
  555    H    THR 135           H        THR 135  13.231  13.248  13.248
  556    HA   THR 135           HA       THR 135  16.065  13.719  13.719
  557    HB   THR 135           HB       THR 135  16.484  11.424  11.424
  558    HG1  THR 135          1HG       THR 135  14.904  10.106  10.106
  559   1HG2  THR 135          3HG2      THR 135  15.707  13.528  13.528
  560   2HG2  THR 135          2HG2      THR 135  15.053  12.031  12.031
  561   3HG2  THR 135          1HG2      THR 135  16.781  12.172  12.172
  562    H    LYS 136           H        LYS 136  13.061  12.531  12.531
  563    HA   LYS 136           HA       LYS 136  12.416  11.609  11.609
  564   1HB   LYS 136          2HB       LYS 136  15.051  12.835  12.835
  565   2HB   LYS 136          1HB       LYS 136  14.124  11.906  11.906
  566   1HG   LYS 136          2HG       LYS 136  13.064  14.289  14.289
  567   2HG   LYS 136          1HG       LYS 136  13.744  14.346  14.346
  568   1HD   LYS 136          1HD       LYS 136  11.914  12.332  12.332
  569   2HD   LYS 136          2HD       LYS 136  11.118  13.430  13.430
  570   1HE   LYS 136          1HE       LYS 136  10.417  14.444  14.444
  571   2HE   LYS 136          2HE       LYS 136  12.012  15.194  15.194
  572   1HZ   LYS 136          1HZ       LYS 136  12.789  13.297  13.297
  573   2HZ   LYS 136          3HZ       LYS 136  11.168  12.864  12.864
  574   3HZ   LYS 136          2HZ       LYS 136  11.721  14.365  14.365
  575    H    GLY 137           H        GLY 137  14.074  10.081  10.081
  576   1HA   GLY 137          1HA       GLY 137  15.480   8.141   8.141
  577   2HA   GLY 137          2HA       GLY 137  15.346   8.126   8.126
  578    H    LEU 138           H        LEU 138  14.529   6.492   6.492
  579    HA   LEU 138           HA       LEU 138  11.851   5.802   5.802
  580   1HB   LEU 138          1HB       LEU 138  13.652   5.175   5.175
  581   2HB   LEU 138          2HB       LEU 138  13.934   3.785   3.785
  582    HG   LEU 138           HG       LEU 138  11.962   2.773   2.773
  583   1HD1  LEU 138          3HD1      LEU 138  10.801   5.468   5.468
  584   2HD1  LEU 138          2HD1      LEU 138   9.965   3.921   3.921
  585   3HD1  LEU 138          1HD1      LEU 138  10.447   4.507   4.507
  586   1HD2  LEU 138          2HD2      LEU 138  12.897   4.457   4.457
  587   2HD2  LEU 138          1HD2      LEU 138  13.047   2.717   2.717
  588   3HD2  LEU 138          3HD2      LEU 138  11.489   3.413   3.413
  589    H    ILE 139           H        ILE 139  10.726   4.502   4.502
  590    HA   ILE 139           HA       ILE 139  12.257   3.194   3.194
  591    HB   ILE 139           HB       ILE 139   9.320   3.779   3.779
  592   1HG1  ILE 139          2HG1      ILE 139  11.566   5.654   5.654
  593   2HG1  ILE 139          1HG1      ILE 139  10.472   5.891   5.891
  594   1HG2  ILE 139          3HG2      ILE 139  10.450   2.258   2.258
  595   2HG2  ILE 139          2HG2      ILE 139  11.415   3.638   3.638
  596   3HG2  ILE 139          1HG2      ILE 139   9.663   3.662   3.662
  597   1HD1  ILE 139          3HD1      ILE 139   8.592   5.865   5.865
  598   2HD1  ILE 139          2HD1      ILE 139   9.842   5.989   5.989
  599   3HD1  ILE 139          1HD1      ILE 139   9.668   7.262   7.262
  600    H    VAL 140           H        VAL 140   9.498   2.712   2.712
  601    HA   VAL 140           HA       VAL 140   9.850  -0.186  -0.186
  602    HB   VAL 140           HB       VAL 140   7.184   1.185   1.185
  603   1HG1  VAL 140          2HG1      VAL 140   8.014  -1.686  -1.686
  604   2HG1  VAL 140          1HG1      VAL 140   6.377  -1.142  -1.142
  605   3HG1  VAL 140          3HG1      VAL 140   7.028  -0.948  -0.948
  606   1HG2  VAL 140          2HG2      VAL 140   8.706   0.383   0.383
  607   2HG2  VAL 140          1HG2      VAL 140   7.529   1.677   1.677
  608   3HG2  VAL 140          3HG2      VAL 140   6.981   0.013   0.013
  609    H    ASP 141           H        ASP 141  11.086  -0.245  -0.245
  610    HA   ASP 141           HA       ASP 141   9.682   0.463   0.463
  611   1HB   ASP 141          2HB       ASP 141  11.935   1.297   1.297
  612   2HB   ASP 141          1HB       ASP 141  12.558  -0.288  -0.288
  613    H    GLN 142           H        GLN 142   8.209  -1.398  -1.398
  614    HA   GLN 142           HA       GLN 142   9.317  -3.890  -3.890
  615   1HB   GLN 142          1HB       GLN 142   7.631  -3.433  -3.433
  616   2HB   GLN 142          2HB       GLN 142   7.307  -4.872  -4.872
  617   1HG   GLN 142          1HG       GLN 142   8.870  -5.831  -5.831
  618   2HG   GLN 142          2HG       GLN 142  10.018  -4.964  -4.964
  619   1HE2  GLN 142          2HE2      GLN 142   9.957  -4.273  -4.273
  620   2HE2  GLN 142          1HE2      GLN 142   9.251  -5.638  -5.638
  621    H    THR 143           H        THR 143   7.300  -5.386  -5.386
  622    HA   THR 143           HA       THR 143   5.763  -3.847  -3.847
  623    HB   THR 143           HB       THR 143   5.574  -6.823  -6.823
  624    HG1  THR 143          1HG       THR 143   7.711  -6.765  -6.765
  625   1HG2  THR 143          3HG2      THR 143   5.265  -4.817  -4.817
  626   2HG2  THR 143          2HG2      THR 143   5.903  -6.400  -6.400
  627   3HG2  THR 143          1HG2      THR 143   4.330  -6.270  -6.270
  628    H    ILE 144           H        ILE 144   3.448  -4.698  -4.698
  629    HA   ILE 144           HA       ILE 144   2.134  -4.771  -4.771
  630    HB   ILE 144           HB       ILE 144   1.681  -2.826  -2.826
  631   1HG1  ILE 144          1HG1      ILE 144  -0.865  -4.323  -4.323
  632   2HG1  ILE 144          2HG1      ILE 144   0.167  -3.836  -3.836
  633   1HG2  ILE 144          3HG2      ILE 144   1.502  -4.480  -4.480
  634   2HG2  ILE 144          2HG2      ILE 144  -0.186  -4.586  -4.586
  635   3HG2  ILE 144          1HG2      ILE 144   0.506  -3.027  -3.027
  636   1HD1  ILE 144          1HD1      ILE 144  -0.240  -1.628  -1.628
  637   2HD1  ILE 144          3HD1      ILE 144  -1.786  -2.317  -2.317
  638   3HD1  ILE 144          2HD1      ILE 144  -0.629  -1.777  -1.777
  639    H    GLU 145           H        GLU 145   2.687  -6.605  -6.605
  640    HA   GLU 145           HA       GLU 145   0.363  -8.315  -8.315
  641   1HB   GLU 145          1HB       GLU 145   0.876  -9.344  -9.344
  642   2HB   GLU 145          2HB       GLU 145   1.009  -7.605  -7.605
  643   1HG   GLU 145          1HG       GLU 145   3.526  -7.999  -7.999
  644   2HG   GLU 145          2HG       GLU 145   3.159  -9.673  -9.673
  645    H    LYS 146           H        LYS 146   3.884  -8.385  -8.385
  646    HA   LYS 146           HA       LYS 146   3.974 -11.177 -11.177
  647   1HB   LYS 146          1HB       LYS 146   6.060  -9.007  -9.007
  648   2HB   LYS 146          2HB       LYS 146   6.432 -10.613 -10.613
  649   1HG   LYS 146          1HG       LYS 146   5.550 -11.525 -11.525
  650   2HG   LYS 146          2HG       LYS 146   5.505  -9.861  -9.861
  651   1HD   LYS 146          1HD       LYS 146   7.569 -10.687 -10.687
  652   2HD   LYS 146          2HD       LYS 146   7.963  -9.740  -9.740
  653   1HE   LYS 146          2HE       LYS 146   8.887 -11.520 -11.520
  654   2HE   LYS 146          1HE       LYS 146   7.365 -12.401 -12.401
  655   1HZ   LYS 146          1HZ       LYS 146   8.110 -12.795 -12.795
  656   2HZ   LYS 146          3HZ       LYS 146   9.654 -12.373 -12.373
  657   3HZ   LYS 146          2HZ       LYS 146   8.848 -13.699 -13.699
  658    H    VAL 147           H        VAL 147   3.773  -8.125  -8.125
  659    HA   VAL 147           HA       VAL 147   4.780  -8.937  -8.937
  660    HB   VAL 147           HB       VAL 147   4.665  -6.578  -6.578
  661   1HG1  VAL 147          2HG2      VAL 147   1.694  -7.027  -7.027
  662   2HG1  VAL 147          1HG2      VAL 147   2.440  -5.430  -5.430
  663   3HG1  VAL 147          3HG2      VAL 147   2.652  -6.503  -6.503
  664   1HG2  VAL 147          2HG1      VAL 147   4.525  -7.421  -7.421
  665   2HG2  VAL 147          1HG1      VAL 147   4.199  -5.722  -5.722
  666   3HG2  VAL 147          3HG1      VAL 147   2.863  -6.838  -6.838
  667    H    SER 148           H        SER 148   3.402  -8.998  -8.998
  668    HA   SER 148           HA       SER 148   1.360 -10.951 -10.951
  669   1HB   SER 148          1HB       SER 148   2.632  -9.535  -9.535
  670   2HB   SER 148          2HB       SER 148   1.097 -10.359 -10.359
  671    HG   SER 148           HG       SER 148   2.049 -12.237 -12.237
  672    H    PHE 149           H        PHE 149   1.186  -7.676  -7.676
  673    HA   PHE 149           HA       PHE 149  -0.632  -6.365  -6.365
  674   1HB   PHE 149          1HB       PHE 149  -2.484  -8.303  -8.303
  675   2HB   PHE 149          2HB       PHE 149  -2.830  -7.174  -7.174
  676    HD1  PHE 149           HD2      PHE 149  -0.579  -7.820  -7.820
  677    HD2  PHE 149           HD1      PHE 149  -3.169 -10.338 -10.338
  678    HE1  PHE 149           HE2      PHE 149  -0.249  -9.620  -9.620
  679    HE2  PHE 149           HE1      PHE 149  -2.845 -12.143 -12.143
  680    HZ   PHE 149           HZ       PHE 149  -1.384 -11.786 -11.786
  681    H    CYS 150           H        CYS 150  -2.812  -5.723  -5.723
  682    HA   CYS 150           HA       CYS 150  -1.675  -5.149  -5.149
  683   1HB   CYS 150          2HB       CYS 150  -2.590  -2.868  -2.868
  684   2HB   CYS 150          1HB       CYS 150  -1.414  -3.168  -3.168
  685    HG   CYS 150           HG       CYS 150  -4.015  -2.086  -2.086
  686    H    ALA 151           H        ALA 151  -3.705  -3.792  -3.792
  687    HA   ALA 151           HA       ALA 151  -6.254  -4.980  -4.980
  688   1HB   ALA 151          1HB       ALA 151  -4.437  -6.406  -6.406
  689   2HB   ALA 151          3HB       ALA 151  -5.795  -5.831  -5.831
  690   3HB   ALA 151          2HB       ALA 151  -6.087  -6.823  -6.823
  691    HA   PRO 152           HA       PRO 152  -5.880  -0.836  -0.836
  692   1HB   PRO 152          1HB       PRO 152  -7.865  -0.242  -0.242
  693   2HB   PRO 152          2HB       PRO 152  -6.567   0.768   0.768
  694   1HG   PRO 152          1HG       PRO 152  -6.329  -0.404  -0.404
  695   2HG   PRO 152          2HG       PRO 152  -4.940  -0.277  -0.277
  696   1HD   PRO 152          1HD       PRO 152  -6.650  -2.642  -2.642
  697   2HD   PRO 152          2HD       PRO 152  -4.909  -2.560  -2.560
  698    H    ASP 153           H        ASP 153  -7.043  -1.190  -1.190
  699    HA   ASP 153           HA       ASP 153  -9.862  -0.960  -0.960
  700   1HB   ASP 153          1HB       ASP 153  -8.795  -3.634  -3.634
  701   2HB   ASP 153          2HB       ASP 153  -9.732  -3.495  -3.495
  702    H    ARG 154           H        ARG 154  -9.591   0.529   0.529
  703    HA   ARG 154           HA       ARG 154  -9.712  -0.329  -0.329
  704   1HB   ARG 154          1HB       ARG 154  -7.653   0.120   0.120
  705   2HB   ARG 154          2HB       ARG 154  -7.232  -0.755  -0.755
  706   1HG   ARG 154          2HG       ARG 154  -6.753   1.425   1.425
  707   2HG   ARG 154          1HG       ARG 154  -7.019   2.206   2.206
  708   1HD   ARG 154          1HD       ARG 154  -5.289   0.339   0.339
  709   2HD   ARG 154          2HD       ARG 154  -4.789   0.487   0.487
  710    HE   ARG 154           HE       ARG 154  -4.861   3.050   3.050
  711   1HH1  ARG 154          2HH2      ARG 154  -3.425   0.207   0.207
  712   2HH1  ARG 154          1HH2      ARG 154  -2.138   1.079   1.079
  713   1HH2  ARG 154          2HH1      ARG 154  -3.169   4.206   4.206
  714   2HH2  ARG 154          1HH1      ARG 154  -1.992   3.353   3.353
  715    H    ASN 155           H        ASN 155 -11.135   1.113   1.113
  716    HA   ASN 155           HA       ASN 155 -11.251   3.768   3.768
  717   1HB   ASN 155          1HB       ASN 155 -12.703   2.549   2.549
  718   2HB   ASN 155          2HB       ASN 155 -13.113   4.073   4.073
  719   1HD2  ASN 155          1HD2      ASN 155 -15.392   1.565   1.565
  720   2HD2  ASN 155          2HD2      ASN 155 -15.070   2.321   2.321
  721    H    HIS 156           H        HIS 156  -9.209   2.439   2.439
  722    HA   HIS 156           HA       HIS 156  -9.072   4.046   4.046
  723   1HB   HIS 156          1HB       HIS 156  -7.472   2.146   2.146
  724   2HB   HIS 156          2HB       HIS 156  -6.515   3.510   3.510
  725    HD1  HIS 156           HD1      HIS 156  -5.005   2.022   2.022
  726    HD2  HIS 156           HD2      HIS 156  -7.887   4.770   4.770
  727    HE1  HIS 156           HE1      HIS 156  -4.444   2.655   2.655
  728    H    GLU 157           H        GLU 157  -7.154   4.802   4.802
  729    HA   GLU 157           HA       GLU 157  -7.926   7.541   7.541
  730   1HB   GLU 157          2HB       GLU 157  -5.408   6.595   6.595
  731   2HB   GLU 157          1HB       GLU 157  -5.184   7.911   7.911
  732   1HG   GLU 157          2HG       GLU 157  -7.211   8.095   8.095
  733   2HG   GLU 157          1HG       GLU 157  -5.514   8.481   8.481
  734    H    ARG 158           H        ARG 158  -8.242   5.705   5.705
  735    HA   ARG 158           HA       ARG 158  -8.006   5.540   5.540
  736   1HB   ARG 158          1HB       ARG 158  -6.505   8.140   8.140
  737   2HB   ARG 158          2HB       ARG 158  -7.586   7.511   7.511
  738   1HG   ARG 158          2HG       ARG 158  -8.318   8.629   8.629
  739   2HG   ARG 158          1HG       ARG 158  -8.723   9.274   9.274
  740   1HD   ARG 158          2HD       ARG 158 -10.558   8.028   8.028
  741   2HD   ARG 158          1HD       ARG 158  -9.645   6.563   6.563
  742    HE   ARG 158           HE       ARG 158  -9.905   7.731   7.731
  743   1HH1  ARG 158          1HH1      ARG 158 -12.160   6.871   6.871
  744   2HH1  ARG 158          2HH1      ARG 158 -13.471   6.587   6.587
  745   1HH2  ARG 158          2HH2      ARG 158 -11.625   7.359   7.359
  746   2HH2  ARG 158          1HH2      ARG 158 -13.167   6.864   6.864
  747    H    GLY 159           H        GLY 159  -6.372   3.873   3.873
  748   1HA   GLY 159          1HA       GLY 159  -3.731   4.464   4.464
  749   2HA   GLY 159          2HA       GLY 159  -3.923   3.507   3.507
  750    H    PHE 160           H        PHE 160  -2.693   2.865   2.865
  751    HA   PHE 160           HA       PHE 160  -4.219   0.411   0.411
  752   1HB   PHE 160          2HB       PHE 160  -2.681   1.672   1.672
  753   2HB   PHE 160          1HB       PHE 160  -4.117   0.655   0.655
  754    HD1  PHE 160           HD2      PHE 160  -6.189   1.850   1.850
  755    HD2  PHE 160           HD1      PHE 160  -2.994   3.819   3.819
  756    HE1  PHE 160           HE2      PHE 160  -7.594   3.851   3.851
  757    HE2  PHE 160           HE1      PHE 160  -4.395   5.825   5.825
  758    HZ   PHE 160           HZ       PHE 160  -6.698   5.842   5.842
  759    H    SER 161           H        SER 161  -2.921  -1.414  -1.414
  760    HA   SER 161           HA       SER 161  -0.033  -1.062  -1.062
  761   1HB   SER 161          1HB       SER 161  -1.888  -2.521  -2.521
  762   2HB   SER 161          2HB       SER 161  -0.474  -3.457  -3.457
  763    HG   SER 161           HG       SER 161  -0.085  -2.243  -2.243
  764    H    TYR 162           H        TYR 162   1.122  -2.056  -2.056
  765    HA   TYR 162           HA       TYR 162  -0.181  -4.030  -4.030
  766   1HB   TYR 162          2HB       TYR 162   2.508  -2.681  -2.681
  767   2HB   TYR 162          1HB       TYR 162   1.667  -3.662  -3.662
  768    HD1  TYR 162           HD1      TYR 162  -0.941  -1.954  -1.954
  769    HD2  TYR 162           HD2      TYR 162   2.526  -1.196  -1.196
  770    HE1  TYR 162           HE1      TYR 162  -2.006   0.065   0.065
  771    HE2  TYR 162           HE2      TYR 162   1.465   0.825   0.825
  772    HH   TYR 162           HH2      TYR 162  -1.799   1.475   1.475
  773    H    ILE 163           H        ILE 163   1.861  -5.554  -5.554
  774    HA   ILE 163           HA       ILE 163   3.552  -6.529  -6.529
  775    HB   ILE 163           HB       ILE 163   2.404  -8.899  -8.899
  776   1HG1  ILE 163          1HG1      ILE 163   0.112  -6.962  -6.962
  777   2HG1  ILE 163          2HG1      ILE 163   0.593  -8.265  -8.265
  778   1HG2  ILE 163          1HG2      ILE 163   2.528  -6.870  -6.870
  779   2HG2  ILE 163          3HG2      ILE 163   0.863  -7.453  -7.453
  780   3HG2  ILE 163          2HG2      ILE 163   2.198  -8.582  -8.582
  781   1HD1  ILE 163          2HD1      ILE 163   0.040  -9.247  -9.247
  782   2HD1  ILE 163          1HD1      ILE 163  -1.335  -8.377  -8.377
  783   3HD1  ILE 163          3HD1      ILE 163  -0.633  -9.742  -9.742
  784    H    CYS 164           H        CYS 164   4.829  -8.389  -8.389
  785    HA   CYS 164           HA       CYS 164   4.678  -9.288  -9.288
  786   1HB   CYS 164          1HB       CYS 164   6.823  -8.446  -8.446
  787   2HB   CYS 164          2HB       CYS 164   5.832  -7.087  -7.087
  788    HG   CYS 164           HG       CYS 164   7.274  -7.119  -7.119
  789    H    ARG 165           H        ARG 165   6.243 -10.973 -10.973
  790    HA   ARG 165           HA       ARG 165   7.257 -12.243 -12.243
  791   1HB   ARG 165          1HB       ARG 165   5.338 -13.386 -13.386
  792   2HB   ARG 165          2HB       ARG 165   6.440 -13.671 -13.671
  793   1HG   ARG 165          1HG       ARG 165   7.734 -14.563 -14.563
  794   2HG   ARG 165          2HG       ARG 165   6.083 -15.186 -15.186
  795   1HD   ARG 165          1HD       ARG 165   6.699 -15.681 -15.681
  796   2HD   ARG 165          2HD       ARG 165   8.305 -15.798 -15.798
  797    HE   ARG 165           HE       ARG 165   6.761 -17.326 -17.326
  798   1HH1  ARG 165          1HH1      ARG 165   7.321 -17.254 -17.254
  799   2HH1  ARG 165          2HH1      ARG 165   7.056 -18.954 -18.954
  800   1HH2  ARG 165          1HH2      ARG 165   6.410 -19.565 -19.565
  801   2HH2  ARG 165          2HH2      ARG 165   6.539 -20.267 -20.267
  802    H    ASP 166           H        ASP 166   9.293 -11.206 -11.206
  803    HA   ASP 166           HA       ASP 166  11.417 -10.883 -10.883
  804   1HB   ASP 166          1HB       ASP 166  12.646 -12.907 -12.907
  805   2HB   ASP 166          2HB       ASP 166  11.402 -13.260 -13.260
  806    H    GLY 167           H        GLY 167  12.857 -12.043 -12.043
  807   1HA   GLY 167          1HA       GLY 167  12.712 -12.308 -12.308
  808   2HA   GLY 167          2HA       GLY 167  11.328 -11.224 -11.224
  809    H    THR 168           H        THR 168  12.330  -9.201  -9.201
  810    HA   THR 168           HA       THR 168  14.844  -8.293  -8.293
  811    HB   THR 168           HB       THR 168  13.675  -6.085  -6.085
  812    HG1  THR 168          1HG       THR 168  11.547  -6.268  -6.268
  813   1HG2  THR 168          1HG2      THR 168  14.587  -8.033  -8.033
  814   2HG2  THR 168          3HG2      THR 168  12.872  -8.240  -8.240
  815   3HG2  THR 168          2HG2      THR 168  13.659  -6.694  -6.694
  816    H    THR 169           H        THR 169  13.543  -8.894  -8.894
  817    HA   THR 169           HA       THR 169  14.284  -6.392  -6.392
  818    HB   THR 169           HB       THR 169  12.136  -7.616  -7.616
  819    HG1  THR 169          1HG       THR 169  10.755  -8.075  -8.075
  820   1HG2  THR 169          1HG2      THR 169  12.588  -4.977  -4.977
  821   2HG2  THR 169          3HG2      THR 169  11.003  -5.393  -5.393
  822   3HG2  THR 169          2HG2      THR 169  12.411  -5.369  -5.369
  823    H    ARG 170           H        ARG 170  12.916  -9.493  -9.493
  824    HA   ARG 170           HA       ARG 170  15.282 -10.658 -10.658
  825   1HB   ARG 170          2HB       ARG 170  14.452 -10.224 -10.224
  826   2HB   ARG 170          1HB       ARG 170  15.772  -9.371  -9.371
  827   1HG   ARG 170          2HG       ARG 170  14.484  -7.473  -7.473
  828   2HG   ARG 170          1HG       ARG 170  12.967  -8.344  -8.344
  829   1HD   ARG 170          2HD       ARG 170  12.963  -7.905  -7.905
  830   2HD   ARG 170          1HD       ARG 170  14.600  -8.536  -8.536
  831    HE   ARG 170           HE       ARG 170  13.823  -5.791  -5.791
  832   1HH1  ARG 170          2HH2      ARG 170  16.389  -8.032  -8.032
  833   2HH1  ARG 170          1HH2      ARG 170  17.636  -6.833  -6.833
  834   1HH2  ARG 170          2HH1      ARG 170  15.456  -4.204  -4.204
  835   2HH2  ARG 170          1HH1      ARG 170  17.105  -4.656  -4.656
  836    H    ARG 171           H        ARG 171  12.375 -10.294 -10.294
  837    HA   ARG 171           HA       ARG 171  11.528 -12.999 -12.999
  838   1HB   ARG 171          1HB       ARG 171  11.089 -13.593 -13.593
  839   2HB   ARG 171          2HB       ARG 171  12.742 -13.002 -13.002
  840   1HG   ARG 171          2HG       ARG 171  12.246 -11.043 -11.043
  841   2HG   ARG 171          1HG       ARG 171  10.526 -11.143 -11.143
  842   1HD   ARG 171          2HD       ARG 171  10.084 -12.391 -12.391
  843   2HD   ARG 171          1HD       ARG 171  11.503 -13.407 -13.407
  844    HE   ARG 171           HE       ARG 171  12.451 -10.989 -10.989
  845   1HH1  ARG 171          1HH1      ARG 171  10.305 -13.482 -13.482
  846   2HH1  ARG 171          2HH1      ARG 171  10.661 -13.203 -13.203
  847   1HH2  ARG 171          1HH2      ARG 171  12.928 -10.613 -10.613
  848   2HH2  ARG 171          2HH2      ARG 171  12.153 -11.571 -11.571
  849    H    TRP 172           H        TRP 172   9.317 -12.863 -12.863
  850    HA   TRP 172           HA       TRP 172   7.341 -11.660 -11.660
  851   1HB   TRP 172          1HB       TRP 172   6.951 -12.077 -12.077
  852   2HB   TRP 172          2HB       TRP 172   5.798 -12.301 -12.301
  853    HD1  TRP 172           HD1      TRP 172   8.614 -14.090 -14.090
  854    HE1  TRP 172           HE1      TRP 172   8.560 -16.583 -16.583
  855    HE3  TRP 172           HE3      TRP 172   5.124 -13.913 -13.913
  856    HZ2  TRP 172          2HZ       TRP 172   7.217 -18.256 -18.256
  857    HZ3  TRP 172           HZ3      TRP 172   4.511 -16.005 -16.005
  858    HH2  TRP 172           HH2      TRP 172   5.536 -18.131 -18.131
  859    H    MET 173           H        MET 173   8.217  -9.557  -9.557
  860    HA   MET 173           HA       MET 173   8.452  -7.749  -7.749
  861   1HB   MET 173          1HB       MET 173   9.058  -7.555  -7.555
  862   2HB   MET 173          2HB       MET 173   9.016  -6.111  -6.111
  863   1HG   MET 173          1HG       MET 173  10.593  -8.161  -8.161
  864   2HG   MET 173          2HG       MET 173  11.155  -7.855  -7.855
  865   1HE   MET 173          2HE       MET 173  11.086  -6.974  -6.974
  866   2HE   MET 173          1HE       MET 173  11.660  -5.313  -5.313
  867   3HE   MET 173          3HE       MET 173   9.978  -5.627  -5.627
  868    H    CYS 174           H        CYS 174   6.718  -6.808  -6.808
  869    HA   CYS 174           HA       CYS 174   4.362  -6.344  -6.344
  870   1HB   CYS 174          2HB       CYS 174   5.051  -6.294  -6.294
  871   2HB   CYS 174          1HB       CYS 174   3.879  -5.078  -5.078
  872    HG   CYS 174           HG       CYS 174   2.162  -6.824  -6.824
  873    H    HIS 175           H        HIS 175   3.318  -4.075  -4.075
  874    HA   HIS 175           HA       HIS 175   5.300  -1.943  -1.943
  875   1HB   HIS 175          2HB       HIS 175   3.491  -2.451  -2.451
  876   2HB   HIS 175          1HB       HIS 175   4.556  -1.066  -1.066
  877    HD1  HIS 175           HD1      HIS 175   7.037  -1.401  -1.401
  878    HD2  HIS 175           HD2      HIS 175   4.799  -4.898  -4.898
  879    HE1  HIS 175           HE1      HIS 175   8.520  -3.149  -3.149
  880    H    GLY 176           H        GLY 176   4.535  -0.388  -0.388
  881   1HA   GLY 176          1HA       GLY 176   1.648  -0.141  -0.141
  882   2HA   GLY 176          2HA       GLY 176   2.899   0.629   0.629
  883    H    PHE 177           H        PHE 177   0.468   1.321   1.321
  884    HA   PHE 177           HA       PHE 177   1.846   3.680   3.680
  885   1HB   PHE 177          2HB       PHE 177   0.023   1.730   1.730
  886   2HB   PHE 177          1HB       PHE 177  -0.292   3.420   3.420
  887    HD1  PHE 177           HD1      PHE 177   1.470   4.792   4.792
  888    HD2  PHE 177           HD2      PHE 177   1.889   0.592   0.592
  889    HE1  PHE 177           HE1      PHE 177   3.271   4.755   4.755
  890    HE2  PHE 177           HE2      PHE 177   3.691   0.550   0.550
  891    HZ   PHE 177           HZ       PHE 177   4.384   2.633   2.633
  892    H    LEU 178           H        LEU 178   0.949   5.631   5.631
  893    HA   LEU 178           HA       LEU 178  -1.707   5.735   5.735
  894   1HB   LEU 178          2HB       LEU 178   0.620   6.271   6.271
  895   2HB   LEU 178          1HB       LEU 178   0.193   7.865   7.865
  896    HG   LEU 178           HG       LEU 178  -1.321   6.114   6.114
  897   1HD1  LEU 178          1HD1      LEU 178   0.243   8.566   8.566
  898   2HD1  LEU 178          3HD1      LEU 178  -1.341   8.720   8.720
  899   3HD1  LEU 178          2HD1      LEU 178  -0.227   7.460   7.460
  900   1HD2  LEU 178          1HD2      LEU 178  -2.373   8.328   8.328
  901   2HD2  LEU 178          3HD2      LEU 178  -3.085   6.753   6.753
  902   3HD2  LEU 178          2HD2      LEU 178  -3.063   8.002   8.002
  903    H    ALA 179           H        ALA 179  -2.999   6.627   6.627
  904    HA   ALA 179           HA       ALA 179  -2.277   8.121   8.121
  905   1HB   ALA 179          1HB       ALA 179  -4.580   7.125   7.125
  906   2HB   ALA 179          3HB       ALA 179  -4.861   8.759   8.759
  907   3HB   ALA 179          2HB       ALA 179  -4.502   8.497   8.497
  908    H    CYS 180           H        CYS 180  -1.789  10.186  10.186
  909    HA   CYS 180           HA       CYS 180  -0.957  11.907  11.907
  910   1HB   CYS 180          2HB       CYS 180  -0.949  11.874  11.874
  911   2HB   CYS 180          1HB       CYS 180  -1.374  13.476  13.476
  912    HG   CYS 180           HG       CYS 180   1.054  13.760  13.760
  913    H    LYS 181           H        LYS 181  -3.626  12.339  12.339
  914    HA   LYS 181           HA       LYS 181  -4.792  14.549  14.549
  915   1HB   LYS 181          1HB       LYS 181  -6.303  12.421  12.421
  916   2HB   LYS 181          2HB       LYS 181  -6.722  14.120  14.120
  917   1HG   LYS 181          1HG       LYS 181  -4.092  13.735  13.735
  918   2HG   LYS 181          2HG       LYS 181  -5.376  12.973  12.973
  919   1HD   LYS 181          2HD       LYS 181  -5.065  15.231  15.231
  920   2HD   LYS 181          1HD       LYS 181  -6.618  15.121  15.121
  921   1HE   LYS 181          2HE       LYS 181  -5.595  16.065  16.065
  922   2HE   LYS 181          1HE       LYS 181  -4.054  16.192  16.192
  923   1HZ   LYS 181          3HZ       LYS 181  -6.158  17.440  17.440
  924   2HZ   LYS 181          2HZ       LYS 181  -6.024  18.092  18.092
  925   3HZ   LYS 181          1HZ       LYS 181  -4.684  18.086  18.086
  926    H    ASP 182           H        ASP 182  -5.112  11.119  11.119
  927    HA   ASP 182           HA       ASP 182  -5.992   9.963   9.963
  928   1HB   ASP 182          1HB       ASP 182  -5.083  12.291  12.291
  929   2HB   ASP 182          2HB       ASP 182  -6.775  12.287  12.287
  930    H    SER 183           H        SER 183  -7.748   9.461   9.461
  931    HA   SER 183           HA       SER 183 -10.269   9.837   9.837
  932   1HB   SER 183          2HB       SER 183  -9.514  12.031  12.031
  933   2HB   SER 183          1HB       SER 183 -10.626  11.115  11.115
  934    HG   SER 183           HG       SER 183 -11.513  12.742  12.742
  935    H    GLY 184           H        GLY 184  -8.583   7.759   7.759
  936   1HA   GLY 184          2HA       GLY 184  -8.645   6.041   6.041
  937   2HA   GLY 184          1HA       GLY 184 -10.274   5.933   5.933
  938    H    GLU 185           H        GLU 185  -8.999   8.520   8.520
  939    HA   GLU 185           HA       GLU 185 -10.469   7.471   7.471
  940   1HB   GLU 185          1HB       GLU 185 -11.427   9.627   9.627
  941   2HB   GLU 185          2HB       GLU 185 -11.229  10.157  10.157
  942   1HG   GLU 185          2HG       GLU 185 -12.634   8.301   8.301
  943   2HG   GLU 185          1HG       GLU 185 -12.850   7.796   7.796
  944    H    ARG 186           H        ARG 186  -7.784   7.570   7.570
  945    HA   ARG 186           HA       ARG 186  -7.184   9.427   9.427
  946   1HB   ARG 186          2HB       ARG 186  -6.585  10.215  10.215
  947   2HB   ARG 186          1HB       ARG 186  -5.056   9.642   9.642
  948   1HG   ARG 186          1HG       ARG 186  -4.999  11.857  11.857
  949   2HG   ARG 186          2HG       ARG 186  -5.687  11.133  11.133
  950   1HD   ARG 186          2HD       ARG 186  -7.849  11.681  11.681
  951   2HD   ARG 186          1HD       ARG 186  -6.812  13.105  13.105
  952    HE   ARG 186           HE       ARG 186  -7.235  12.212  12.212
  953   1HH1  ARG 186          1HH1      ARG 186  -8.716  13.948  13.948
  954   2HH1  ARG 186          2HH1      ARG 186  -9.731  14.903  14.903
  955   1HH2  ARG 186          1HH2      ARG 186  -8.566  13.465  13.465
  956   2HH2  ARG 186          2HH2      ARG 186  -9.645  14.628  14.628
  957    H    LEU 187           H        LEU 187  -5.947   7.000   7.000
  958    HA   LEU 187           HA       LEU 187  -4.210   5.985   5.985
  959   1HB   LEU 187          2HB       LEU 187  -3.959   5.950   5.950
  960   2HB   LEU 187          1HB       LEU 187  -3.150   4.726   4.726
  961    HG   LEU 187           HG       LEU 187  -1.767   6.333   6.333
  962   1HD1  LEU 187          1HD1      LEU 187  -3.607   8.386   8.386
  963   2HD1  LEU 187          3HD1      LEU 187  -2.041   8.778   8.778
  964   3HD1  LEU 187          2HD1      LEU 187  -3.310   8.068   8.068
  965   1HD2  LEU 187          3HD2      LEU 187  -1.662   5.874   5.874
  966   2HD2  LEU 187          2HD2      LEU 187  -0.434   6.740   6.740
  967   3HD2  LEU 187          1HD2      LEU 187  -1.680   7.637   7.637
  968    H    SER 188           H        SER 188  -6.407   5.013   5.013
  969    HA   SER 188           HA       SER 188  -6.437   2.275   2.275
  970   1HB   SER 188          1HB       SER 188  -8.555   2.241   2.241
  971   2HB   SER 188          2HB       SER 188  -7.566   3.504   3.504
  972    HG   SER 188           HG       SER 188  -8.857   5.006   5.006
  973    H    HIS 189           H        HIS 189  -8.808   4.612   4.612
  974    HA   HIS 189           HA       HIS 189  -9.931   2.725   2.725
  975   1HB   HIS 189          2HB       HIS 189 -10.224   5.669   5.669
  976   2HB   HIS 189          1HB       HIS 189 -10.868   4.963   4.963
  977    HD1  HIS 189           HD1      HIS 189 -12.697   2.980   2.980
  978    HD2  HIS 189           HD2      HIS 189 -11.815   5.433   5.433
  979    HE1  HIS 189           HE1      HIS 189 -14.573   2.661   2.661
  980    H    ALA 190           H        ALA 190  -7.321   5.012   5.012
  981    HA   ALA 190           HA       ALA 190  -7.118   5.114   5.114
  982   1HB   ALA 190          1HB       ALA 190  -5.095   5.762   5.762
  983   2HB   ALA 190          3HB       ALA 190  -4.901   6.115   6.115
  984   3HB   ALA 190          2HB       ALA 190  -6.190   6.894   6.894
  985    H    VAL 191           H        VAL 191  -4.812   3.723   3.723
  986    HA   VAL 191           HA       VAL 191  -3.501   2.100   2.100
  987    HB   VAL 191           HB       VAL 191  -3.662   1.335   1.335
  988   1HG1  VAL 191          1HG2      VAL 191  -2.106   0.559   0.559
  989   2HG1  VAL 191          3HG2      VAL 191  -1.038   1.358   1.358
  990   3HG1  VAL 191          2HG2      VAL 191  -2.009  -0.025  -0.025
  991   1HG2  VAL 191          2HG1      VAL 191  -2.862   3.905   3.905
  992   2HG2  VAL 191          1HG1      VAL 191  -2.954   3.338   3.338
  993   3HG2  VAL 191          3HG1      VAL 191  -1.486   3.074   3.074
  994    H    GLY 192           H        GLY 192  -6.192   1.449   1.449
  995   1HA   GLY 192          1HA       GLY 192  -6.476  -1.284  -1.284
  996   2HA   GLY 192          2HA       GLY 192  -7.822  -0.174  -0.174
  997    H    CYS 193           H        CYS 193  -7.531   1.294   1.294
  998    HA   CYS 193           HA       CYS 193  -8.796  -0.501  -0.501
  999   1HB   CYS 193          1HB       CYS 193  -8.248   2.424   2.424
 1000   2HB   CYS 193          2HB       CYS 193  -8.495   1.723   1.723
 1001    HG   CYS 193           HG       CYS 193 -10.905   1.367   1.367
 1002    H    ALA 194           H        ALA 194  -5.638   0.837   0.837
 1003    HA   ALA 194           HA       ALA 194  -4.513   0.474   0.474
 1004   1HB   ALA 194          1HB       ALA 194  -3.507   1.734   1.734
 1005   2HB   ALA 194          3HB       ALA 194  -3.055   0.179   0.179
 1006   3HB   ALA 194          2HB       ALA 194  -2.394   0.673   0.673
 1007    H    PHE 195           H        PHE 195  -4.834  -1.704  -1.704
 1008    HA   PHE 195           HA       PHE 195  -3.365  -3.866  -3.866
 1009   1HB   PHE 195          1HB       PHE 195  -5.596  -3.621  -3.621
 1010   2HB   PHE 195          2HB       PHE 195  -5.006  -5.209  -5.209
 1011    HD1  PHE 195           HD1      PHE 195  -2.789  -5.955  -5.955
 1012    HD2  PHE 195           HD2      PHE 195  -4.233  -2.130  -2.130
 1013    HE1  PHE 195           HE1      PHE 195  -0.966  -5.777  -5.777
 1014    HE2  PHE 195           HE2      PHE 195  -2.412  -1.945  -1.945
 1015    HZ   PHE 195           HZ       PHE 195  -0.775  -3.771  -3.771
 1016    H    ALA 196           H        ALA 196  -6.682  -2.833  -2.833
 1017    HA   ALA 196           HA       ALA 196  -7.805  -5.074  -5.074
 1018   1HB   ALA 196          1HB       ALA 196  -8.752  -2.663  -2.663
 1019   2HB   ALA 196          3HB       ALA 196  -8.391  -2.429  -2.429
 1020   3HB   ALA 196          2HB       ALA 196  -9.493  -3.711  -3.711
 1021    H    VAL 197           H        VAL 197  -5.408  -2.919  -2.919
 1022    HA   VAL 197           HA       VAL 197  -5.710  -3.646  -3.646
 1023    HB   VAL 197           HB       VAL 197  -3.266  -2.511  -2.511
 1024   1HG1  VAL 197          1HG2      VAL 197  -4.121  -2.545  -2.545
 1025   2HG1  VAL 197          3HG2      VAL 197  -2.728  -1.671  -1.671
 1026   3HG1  VAL 197          2HG2      VAL 197  -2.773  -3.433  -3.433
 1027   1HG2  VAL 197          2HG1      VAL 197  -5.846  -1.343  -1.343
 1028   2HG2  VAL 197          1HG1      VAL 197  -4.471  -0.670  -0.670
 1029   3HG2  VAL 197          3HG1      VAL 197  -4.569  -0.501  -0.501
 1030    H    CYS 198           H        CYS 198  -3.907  -4.920  -4.920
 1031    HA   CYS 198           HA       CYS 198  -1.987  -6.473  -6.473
 1032   1HB   CYS 198          2HB       CYS 198  -2.176  -6.334  -6.334
 1033   2HB   CYS 198          1HB       CYS 198  -3.740  -7.143  -7.143
 1034    HG   CYS 198           HG       CYS 198  -1.915  -9.105  -9.105
 1035    H    LEU 199           H        LEU 199  -5.350  -7.452  -7.452
 1036    HA   LEU 199           HA       LEU 199  -5.010  -9.697  -9.697
 1037   1HB   LEU 199          2HB       LEU 199  -7.429 -10.167 -10.167
 1038   2HB   LEU 199          1HB       LEU 199  -5.979 -10.654 -10.654
 1039    HG   LEU 199           HG       LEU 199  -7.254  -8.006  -8.006
 1040   1HD1  LEU 199          2HD2      LEU 199  -8.876 -10.045 -10.045
 1041   2HD1  LEU 199          1HD2      LEU 199  -7.979 -10.444 -10.444
 1042   3HD1  LEU 199          3HD2      LEU 199  -8.819  -8.896  -8.896
 1043   1HD2  LEU 199          2HD1      LEU 199  -4.949  -8.867  -8.867
 1044   2HD2  LEU 199          1HD1      LEU 199  -6.060  -8.091  -8.091
 1045   3HD2  LEU 199          3HD1      LEU 199  -5.923  -9.850  -9.850
 1046    H    GLU 200           H        GLU 200  -6.820  -6.758  -6.758
 1047    HA   GLU 200           HA       GLU 200  -8.360  -5.626  -5.626
 1048   1HB   GLU 200          2HB       GLU 200  -6.025  -5.734  -5.734
 1049   2HB   GLU 200          1HB       GLU 200  -7.038  -6.541  -6.541
 1050   1HG   GLU 200          2HG       GLU 200  -8.443  -4.649  -4.649
 1051   2HG   GLU 200          1HG       GLU 200  -7.725  -3.869  -3.869
 1052    H    ARG 201           H        ARG 201  -9.176  -8.309  -8.309
 1053    HA   ARG 201           HA       ARG 201 -11.431  -8.518  -8.518
 1054   1HB   ARG 201          1HB       ARG 201  -9.310  -9.372  -9.372
 1055   2HB   ARG 201          2HB       ARG 201  -9.780 -10.878 -10.878
 1056   1HG   ARG 201          2HG       ARG 201 -11.552  -9.124  -9.124
 1057   2HG   ARG 201          1HG       ARG 201 -10.833 -10.662 -10.662
 1058   1HD   ARG 201          1HD       ARG 201 -12.093 -11.811 -11.811
 1059   2HD   ARG 201          2HD       ARG 201 -12.791 -10.276 -10.276
 1060    HE   ARG 201           HE       ARG 201 -13.429 -10.489 -10.489
 1061   1HH1  ARG 201          1HH2      ARG 201 -13.953 -12.415 -12.415
 1062   2HH1  ARG 201          2HH2      ARG 201 -15.449 -13.079 -13.079
 1063   1HH2  ARG 201          2HH1      ARG 201 -15.400 -11.359 -11.359
 1064   2HH2  ARG 201          1HH1      ARG 201 -16.272 -12.479 -12.479
 1065    H    LYS 202           H        LYS 202 -10.670  -8.708  -8.708
 1066    HA   LYS 202           HA       LYS 202 -10.904 -10.000 -10.000
 1067   1HB   LYS 202          1HB       LYS 202 -13.273 -10.037 -10.037
 1068   2HB   LYS 202          2HB       LYS 202 -13.101 -11.623 -11.623
 1069   1HG   LYS 202          1HG       LYS 202 -14.416 -10.274 -10.274
 1070   2HG   LYS 202          2HG       LYS 202 -12.835 -10.489 -10.489
 1071   1HD   LYS 202          1HD       LYS 202 -12.236  -8.302  -8.302
 1072   2HD   LYS 202          2HD       LYS 202 -13.252  -8.111  -8.111
 1073   1HE   LYS 202          2HE       LYS 202 -14.211  -6.816  -6.816
 1074   2HE   LYS 202          1HE       LYS 202 -15.248  -8.216  -8.216
 1075   1HZ   LYS 202          2HZ       LYS 202 -13.192  -8.620  -8.620
 1076   2HZ   LYS 202          1HZ       LYS 202 -14.336  -7.444  -7.444
 1077   3HZ   LYS 202          3HZ       LYS 202 -14.836  -9.017  -9.017
 1078    H    GLN 203           H        GLN 203  -9.112 -11.114 -11.114
 1079    HA   GLN 203           HA       GLN 203  -9.458 -13.874 -13.874
 1080   1HB   GLN 203          1HB       GLN 203  -7.020 -12.113 -12.113
 1081   2HB   GLN 203          2HB       GLN 203  -6.882 -13.852 -13.852
 1082   1HG   GLN 203          1HG       GLN 203  -8.804 -12.619 -12.619
 1083   2HG   GLN 203          2HG       GLN 203  -7.171 -11.980 -11.980
 1084   1HE2  GLN 203          1HE2      GLN 203  -6.265 -14.621 -14.621
 1085   2HE2  GLN 203          2HE2      GLN 203  -6.226 -12.933 -12.933
 1086    H    ARG 204           H        ARG 204  -8.828 -12.074 -12.074
 1087    HA   ARG 204           HA       ARG 204  -7.252 -13.456 -13.456
 1088   1HB   ARG 204          1HB       ARG 204  -9.286 -11.618 -11.618
 1089   2HB   ARG 204          2HB       ARG 204  -9.817 -12.982 -12.982
 1090   1HG   ARG 204          1HG       ARG 204  -8.504 -11.317 -11.317
 1091   2HG   ARG 204          2HG       ARG 204  -7.792 -12.931 -12.931
 1092   1HD   ARG 204          1HD       ARG 204  -6.919 -11.137 -11.137
 1093   2HD   ARG 204          2HD       ARG 204  -6.402 -10.702 -10.702
 1094    HE   ARG 204           HE       ARG 204  -5.922 -13.448 -13.448
 1095   1HH1  ARG 204          2HH2      ARG 204  -4.713 -10.252 -10.252
 1096   2HH1  ARG 204          1HH2      ARG 204  -3.080 -10.776 -10.776
 1097   1HH2  ARG 204          2HH1      ARG 204  -3.775 -14.152 -14.152
 1098   2HH2  ARG 204          1HH1      ARG 204  -2.545 -12.995 -12.995
 1099    H    ARG 205           H        ARG 205  -7.430 -15.207 -15.207
 1100    HA   ARG 205           HA       ARG 205  -8.721 -17.509 -17.509
 1101   1HB   ARG 205          2HB       ARG 205  -7.001 -16.887 -16.887
 1102   2HB   ARG 205          1HB       ARG 205  -8.044 -18.292 -18.292
 1103   1HG   ARG 205          1HG       ARG 205  -6.635 -18.210 -18.210
 1104   2HG   ARG 205          2HG       ARG 205  -5.560 -18.264 -18.264
 1105   1HD   ARG 205          2HD       ARG 205  -7.423 -20.119 -20.119
 1106   2HD   ARG 205          1HD       ARG 205  -7.379 -20.307 -20.307
 1107    HE   ARG 205           HE       ARG 205  -5.392 -21.374 -21.374
 1108   1HH1  ARG 205          1HH1      ARG 205  -5.821 -19.194 -19.194
 1109   2HH1  ARG 205          2HH1      ARG 205  -4.346 -19.658 -19.658
 1110   1HH2  ARG 205          2HH2      ARG 205  -3.447 -21.994 -21.994
 1111   2HH2  ARG 205          1HH2      ARG 205  -2.996 -21.251 -21.251
 1112    H    THR 206           H        THR 206 -10.849 -16.205 -16.205
 1113    HA   THR 206           HA       THR 206 -12.211 -16.361 -16.361
 1114    HB   THR 206           HB       THR 206 -13.795 -14.867 -14.867
 1115    HG1  THR 206          1HG       THR 206 -14.414 -14.845 -14.845
 1116   1HG2  THR 206          1HG2      THR 206 -11.204 -14.121 -14.121
 1117   2HG2  THR 206          3HG2      THR 206 -11.745 -13.808 -13.808
 1118   3HG2  THR 206          2HG2      THR 206 -12.573 -13.048 -13.048
 1119    H    ARG 207           H        ARG 207 -12.665 -17.442 -17.442
 1120    HA   ARG 207           HA       ARG 207 -13.998 -19.829 -19.829
 1121   1HB   ARG 207          1HB       ARG 207 -15.863 -19.518 -19.518
 1122   2HB   ARG 207          2HB       ARG 207 -15.911 -18.448 -18.448
 1123   1HG   ARG 207          2HG       ARG 207 -14.719 -16.745 -16.745
 1124   2HG   ARG 207          1HG       ARG 207 -15.157 -17.801 -17.801
 1125   1HD   ARG 207          2HD       ARG 207 -17.221 -16.880 -16.880
 1126   2HD   ARG 207          1HD       ARG 207 -16.733 -15.850 -15.850
 1127    HE   ARG 207           HE       ARG 207 -17.348 -18.364 -18.364
 1128   1HH1  ARG 207          1HH1      ARG 207 -18.953 -15.717 -15.717
 1129   2HH1  ARG 207          2HH1      ARG 207 -20.483 -16.021 -16.021
 1130   1HH2  ARG 207          1HH2      ARG 207 -19.357 -18.773 -18.773
 1131   2HH2  ARG 207          2HH2      ARG 207 -20.713 -17.759 -17.759
 1132    H    ALA 208           H        ALA 208 -13.075 -21.485 -21.485
 1133    HA   ALA 208           HA       ALA 208 -11.976 -22.761 -22.761
 1134   1HB   ALA 208          1HB       ALA 208 -14.142 -21.453 -21.453
 1135   2HB   ALA 208          3HB       ALA 208 -12.794 -21.705 -21.705
 1136   3HB   ALA 208          2HB       ALA 208 -13.488 -23.074 -23.074
 1137    H    ALA 209           H        ALA 209 -10.438 -22.717 -22.717
 1138    HA   ALA 209           HA       ALA 209  -9.111 -20.152 -20.152
 1139   1HB   ALA 209          1HB       ALA 209  -8.021 -21.085 -21.085
 1140   2HB   ALA 209          3HB       ALA 209  -7.647 -22.556 -22.556
 1141   3HB   ALA 209          2HB       ALA 209  -6.917 -21.023 -21.023
 1142    H    ALA 210           H        ALA 210  -9.461 -20.139 -20.139
 1143    HA   ALA 210           HA       ALA 210  -8.018 -22.140 -22.140
 1144   1HB   ALA 210          2HB       ALA 210 -10.946 -21.750 -21.750
 1145   2HB   ALA 210          1HB       ALA 210 -10.165 -21.926 -21.926
 1146   3HB   ALA 210          3HB       ALA 210  -9.987 -23.189 -23.189
 1147   1H    ALA   1          2HT       ALA   1 -13.599  -8.673  -8.673
 1148   2H    ALA   1          1HT       ALA   1 -11.921  -8.829  -8.829
 1149   3H    ALA   1          3HT       ALA   1 -13.022  -8.553  -8.553
 1150    HA   ALA   1           HA       ALA   1 -13.509  -6.414  -6.414
 1151   1HB   ALA   1          3HB       ALA   1 -10.580  -7.066  -7.066
 1152   2HB   ALA   1          2HB       ALA   1 -11.187  -5.412  -5.412
 1153   3HB   ALA   1          1HB       ALA   1 -11.625  -6.444  -6.444
 1154    H    TYR   2           H        TYR   2 -10.572  -6.962  -6.962
 1155    HA   TYR   2           HA       TYR   2 -11.667  -6.988  -6.988
 1156   1HB   TYR   2          1HB       TYR   2 -10.940  -4.541  -4.541
 1157   2HB   TYR   2          2HB       TYR   2 -12.531  -4.841  -4.841
 1158    HD1  TYR   2           HD2      TYR   2  -9.606  -5.085  -5.085
 1159    HD2  TYR   2           HD1      TYR   2 -12.649  -2.492  -2.492
 1160    HE1  TYR   2           HE2      TYR   2  -9.115  -3.491  -3.491
 1161    HE2  TYR   2           HE1      TYR   2 -12.164  -0.896  -0.896
 1162    HH   TYR   2           HH2      TYR   2  -9.430  -0.895  -0.895
 1163    H    ILE   3           H        ILE   3  -9.850  -8.520  -8.520
 1164    HA   ILE   3           HA       ILE   3  -7.689  -9.201  -9.201
 1165    HB   ILE   3           HB       ILE   3  -7.585  -6.785  -6.785
 1166   1HG1  ILE   3          1HG1      ILE   3  -8.075  -8.795  -8.795
 1167   2HG1  ILE   3          2HG1      ILE   3  -8.869  -9.466  -9.466
 1168   1HG2  ILE   3          3HG2      ILE   3  -5.705  -8.841  -8.841
 1169   2HG2  ILE   3          2HG2      ILE   3  -6.134  -8.941  -8.941
 1170   3HG2  ILE   3          1HG2      ILE   3  -5.501  -7.434  -7.434
 1171   1HD1  ILE   3          3HD1      ILE   3  -9.564  -6.684  -6.684
 1172   2HD1  ILE   3          2HD1      ILE   3 -10.023  -7.802  -7.802
 1173   3HD1  ILE   3          1HD1      ILE   3 -10.596  -8.068  -8.068
 1174    H    GLY   4           H        GLY   4  -7.921  -7.735  -7.735
 1175   1HA   GLY   4          2HA       GLY   4  -5.778  -7.222  -7.222
 1176   2HA   GLY   4          1HA       GLY   4  -5.552  -5.980  -5.980
 1177    HA   PRO   5           HA       PRO   5  -6.440  -7.409  -7.409
 1178   1HB   PRO   5          2HB       PRO   5  -9.412  -7.814  -7.814
 1179   2HB   PRO   5          1HB       PRO   5  -8.172  -8.093  -8.093
 1180   1HG   PRO   5          1HG       PRO   5  -9.582  -5.879  -5.879
 1181   2HG   PRO   5          2HG       PRO   5  -7.825  -5.805  -5.805
 1182   1HD   PRO   5          2HD       PRO   5  -9.457  -5.017  -5.017
 1183   2HD   PRO   5          1HD       PRO   5  -7.974  -4.289  -4.289
 1184   1HN   PTR   6           H        PTR   6  -5.962  -9.421  -9.421
 1185    HA   PTR   6           HA       PTR   6  -5.980 -10.513 -10.513
 1186   1HB   PTR   6          1HB       PTR   6  -6.759 -12.456 -12.456
 1187   2HB   PTR   6          2HB       PTR   6  -5.315 -11.487 -11.487
 1188    HD1  PTR   6           HD1      PTR   6  -3.656 -13.243 -13.243
 1189    HD2  PTR   6           HD2      PTR   6  -6.242 -12.451 -12.451
 1190    HE1  PTR   6           HE1      PTR   6  -3.051 -15.426 -15.426
 1191    HE2  PTR   6           HE2      PTR   6  -5.489 -14.511 -14.511
 1192    H    LEU   7           H        LEU   7  -7.563 -10.411 -10.411
 1193    HA   LEU   7           HA       LEU   7  -9.432 -11.006 -11.006
 1194   1HB   LEU   7          1HB       LEU   7  -8.930 -13.164 -13.164
 1195   2HB   LEU   7          2HB       LEU   7 -10.583 -12.763 -12.763
 1196    HG   LEU   7           HG       LEU   7  -9.510 -13.465 -13.465
 1197   1HD1  LEU   7          2HD2      LEU   7 -10.806 -14.930 -14.930
 1198   2HD1  LEU   7          1HD2      LEU   7 -11.728 -15.012 -15.012
 1199   3HD1  LEU   7          3HD2      LEU   7 -10.041 -15.525 -15.525
 1200   1HD2  LEU   7          2HD1      LEU   7 -11.695 -11.771 -11.771
 1201   2HD2  LEU   7          1HD1      LEU   7 -11.152 -12.301 -12.301
 1202   3HD2  LEU   7          3HD1      LEU   7 -12.324 -13.266 -13.266

  Start of MODEL    9
    1    HA   SER  64           HA       SER  64 -12.018  15.246  15.246
    2   1HB   SER  64          2HB       SER  64  -9.711  16.953  16.953
    3   2HB   SER  64          1HB       SER  64 -11.173  17.935  17.935
    4    HG   SER  64           HG       SER  64 -10.725  17.709  17.709
    5    H    LYS  65           H        LYS  65 -13.989  15.482  15.482
    6    HA   LYS  65           HA       LYS  65 -15.739  16.123  16.123
    7   1HB   LYS  65          1HB       LYS  65 -14.059  18.453  18.453
    8   2HB   LYS  65          2HB       LYS  65 -14.896  18.517  18.517
    9   1HG   LYS  65          2HG       LYS  65 -16.981  17.891  17.891
   10   2HG   LYS  65          1HG       LYS  65 -16.001  18.559  18.559
   11   1HD   LYS  65          2HD       LYS  65 -15.709  20.428  20.428
   12   2HD   LYS  65          1HD       LYS  65 -17.386  19.912  19.912
   13   1HE   LYS  65          2HE       LYS  65 -16.524  20.406  20.406
   14   2HE   LYS  65          1HE       LYS  65 -16.577  21.827  21.827
   15   1HZ   LYS  65          1HZ       LYS  65 -18.834  19.932  19.932
   16   2HZ   LYS  65          3HZ       LYS  65 -18.678  21.390  21.390
   17   3HZ   LYS  65          2HZ       LYS  65 -18.863  21.401  21.401
   18    HA   PRO  66           HA       PRO  66 -15.182  14.993  14.993
   19   1HB   PRO  66          1HB       PRO  66 -16.728  16.734  16.734
   20   2HB   PRO  66          2HB       PRO  66 -17.383  15.402  15.402
   21   1HG   PRO  66          2HG       PRO  66 -17.147  18.302  18.302
   22   2HG   PRO  66          1HG       PRO  66 -18.497  17.188  17.188
   23   1HD   PRO  66          2HD       PRO  66 -16.758  17.862  17.862
   24   2HD   PRO  66          1HD       PRO  66 -17.492  16.248  16.248
   25    H    HIS  67           H        HIS  67 -12.947  16.165  16.165
   26    HA   HIS  67           HA       HIS  67 -12.254  17.682  17.682
   27   1HB   HIS  67          2HB       HIS  67 -12.822  19.350  19.350
   28   2HB   HIS  67          1HB       HIS  67 -11.469  18.706  18.706
   29    HD1  HIS  67           HD1      HIS  67 -11.094  19.132  19.132
   30    HD2  HIS  67           HD2      HIS  67 -10.112  21.130  21.130
   31    HE1  HIS  67           HE1      HIS  67  -9.443  20.935  20.935
   32    H    GLN  68           H        GLN  68 -10.933  16.614  16.614
   33    HA   GLN  68           HA       GLN  68  -8.457  15.794  15.794
   34   1HB   GLN  68          2HB       GLN  68  -9.088  16.718  16.718
   35   2HB   GLN  68          1HB       GLN  68  -8.761  15.006  15.006
   36   1HG   GLN  68          2HG       GLN  68  -6.657  15.782  15.782
   37   2HG   GLN  68          1HG       GLN  68  -6.662  15.596  15.596
   38   1HE2  GLN  68          2HE2      GLN  68  -6.600  19.035  19.035
   39   2HE2  GLN  68          1HE2      GLN  68  -7.010  17.469  17.469
   40    H    TRP  69           H        TRP  69 -11.145  14.327  14.327
   41    HA   TRP  69           HA       TRP  69 -10.308  11.652  11.652
   42   1HB   TRP  69          2HB       TRP  69 -12.848  13.067  13.067
   43   2HB   TRP  69          1HB       TRP  69 -13.019  11.433  11.433
   44    HD1  TRP  69           HD1      TRP  69 -10.020  11.989  11.989
   45    HE1  TRP  69           HE1      TRP  69 -10.404  10.809  10.809
   46    HE3  TRP  69           HE3      TRP  69 -14.968  10.814  10.814
   47    HZ2  TRP  69          2HZ       TRP  69 -12.525   9.548   9.548
   48    HZ3  TRP  69           HZ3      TRP  69 -16.100   9.621   9.621
   49    HH2  TRP  69           HH2      TRP  69 -14.902   9.002   9.002
   50    H    GLN  70           H        GLN  70 -12.049  13.746  13.746
   51    HA   GLN  70           HA       GLN  70 -12.897  11.812  11.812
   52   1HB   GLN  70          1HB       GLN  70 -14.015  13.655  13.655
   53   2HB   GLN  70          2HB       GLN  70 -12.888  14.688  14.688
   54   1HG   GLN  70          1HG       GLN  70 -11.543  14.994  14.994
   55   2HG   GLN  70          2HG       GLN  70 -12.306  13.656  13.656
   56   1HE2  GLN  70          2HE2      GLN  70 -13.580  17.247  17.247
   57   2HE2  GLN  70          1HE2      GLN  70 -12.006  16.767  16.767
   58    H    ALA  71           H        ALA  71  -9.757  12.929  12.929
   59    HA   ALA  71           HA       ALA  71  -8.811  11.989  11.989
   60   1HB   ALA  71          1HB       ALA  71  -8.448  14.451  14.451
   61   2HB   ALA  71          3HB       ALA  71  -7.010  13.646  13.646
   62   3HB   ALA  71          2HB       ALA  71  -7.316  13.673  13.673
   63    H    ASP  72           H        ASP  72  -8.474  11.659  11.659
   64    HA   ASP  72           HA       ASP  72  -6.113   9.991   9.991
   65   1HB   ASP  72          1HB       ASP  72  -6.126   9.933   9.933
   66   2HB   ASP  72          2HB       ASP  72  -6.285  11.590  11.590
   67    H    GLU  73           H        GLU  73  -9.542   9.631   9.631
   68    HA   GLU  73           HA       GLU  73  -9.638   7.051   7.051
   69   1HB   GLU  73          2HB       GLU  73 -11.504   8.720   8.720
   70   2HB   GLU  73          1HB       GLU  73 -11.872   7.014   7.014
   71   1HG   GLU  73          2HG       GLU  73 -11.688   7.370   7.370
   72   2HG   GLU  73          1HG       GLU  73 -11.578   9.098   9.098
   73    H    GLU  74           H        GLU  74  -8.921   8.154   8.154
   74    HA   GLU  74           HA       GLU  74  -9.044   5.412   5.412
   75   1HB   GLU  74          1HB       GLU  74  -8.567   6.620   6.620
   76   2HB   GLU  74          2HB       GLU  74 -10.173   6.738   6.738
   77   1HG   GLU  74          2HG       GLU  74  -9.983   8.934   8.934
   78   2HG   GLU  74          1HG       GLU  74  -8.280   8.806   8.806
   79    H    ALA  75           H        ALA  75  -6.848   7.928   7.928
   80    HA   ALA  75           HA       ALA  75  -4.579   7.420   7.420
   81   1HB   ALA  75          3HB       ALA  75  -5.127   8.437   8.437
   82   2HB   ALA  75          2HB       ALA  75  -3.498   7.804   7.804
   83   3HB   ALA  75          1HB       ALA  75  -4.107   9.096   9.096
   84    H    VAL  76           H        VAL  76  -5.881   5.537   5.537
   85    HA   VAL  76           HA       VAL  76  -3.685   3.798   3.798
   86    HB   VAL  76           HB       VAL  76  -6.614   3.516   3.516
   87   1HG1  VAL  76          1HG1      VAL  76  -4.442   1.490   1.490
   88   2HG1  VAL  76          3HG1      VAL  76  -5.662   1.591   1.591
   89   3HG1  VAL  76          2HG1      VAL  76  -6.148   1.277   1.277
   90   1HG2  VAL  76          1HG2      VAL  76  -4.715   4.999   4.999
   91   2HG2  VAL  76          3HG2      VAL  76  -6.095   4.297   4.297
   92   3HG2  VAL  76          2HG2      VAL  76  -4.532   3.480   3.480
   93    H    ARG  77           H        ARG  77  -6.700   3.451   3.451
   94    HA   ARG  77           HA       ARG  77  -6.315   0.945   0.945
   95   1HB   ARG  77          2HB       ARG  77  -7.358   3.270   3.270
   96   2HB   ARG  77          1HB       ARG  77  -7.806   1.577   1.577
   97   1HG   ARG  77          2HG       ARG  77  -8.369   2.367   2.367
   98   2HG   ARG  77          1HG       ARG  77  -9.021   3.604   3.604
   99   1HD   ARG  77          1HD       ARG  77 -10.666   1.850   1.850
  100   2HD   ARG  77          2HD       ARG  77 -10.211   1.894   1.894
  101    HE   ARG  77           HE       ARG  77  -8.701   0.017   0.017
  102   1HH1  ARG  77          2HH1      ARG  77 -11.563   0.530   0.530
  103   2HH1  ARG  77          1HH1      ARG  77 -11.769  -1.148  -1.148
  104   1HH2  ARG  77          2HH2      ARG  77  -8.963  -2.195  -2.195
  105   2HH2  ARG  77          1HH2      ARG  77 -10.290  -2.698  -2.698
  106    H    SER  78           H        SER  78  -5.178   4.062   4.062
  107    HA   SER  78           HA       SER  78  -3.615   2.713   2.713
  108   1HB   SER  78          2HB       SER  78  -3.199   5.602   5.602
  109   2HB   SER  78          1HB       SER  78  -3.663   4.674   4.674
  110    HG   SER  78           HG       SER  78  -5.667   5.174   5.174
  111    H    ALA  79           H        ALA  79  -3.076   2.797   2.797
  112    HA   ALA  79           HA       ALA  79  -1.300   2.927   2.927
  113   1HB   ALA  79          2HB       ALA  79   0.144   2.268   2.268
  114   2HB   ALA  79          1HB       ALA  79   0.848   2.157   2.157
  115   3HB   ALA  79          3HB       ALA  79  -0.513   1.124   1.124
  116    H    THR  80           H        THR  80  -1.638   5.214   5.214
  117    HA   THR  80           HA       THR  80   0.731   6.719   6.719
  118    HB   THR  80           HB       THR  80   0.070   7.100   7.100
  119    HG1  THR  80          1HG       THR  80  -0.324   9.319   9.319
  120   1HG2  THR  80          2HG2      THR  80  -2.674   7.792   7.792
  121   2HG2  THR  80          1HG2      THR  80  -2.113   7.964   7.964
  122   3HG2  THR  80          3HG2      THR  80  -2.226   6.362   6.362
  123    H    CYS  81           H        CYS  81  -1.190   5.944   5.944
  124    HA   CYS  81           HA       CYS  81  -2.223   8.553   8.553
  125   1HB   CYS  81          1HB       CYS  81  -3.961   7.068   7.068
  126   2HB   CYS  81          2HB       CYS  81  -2.892   5.725   5.725
  127    HG   CYS  81           HG       CYS  81  -3.360   6.138   6.138
  128    H    SER  82           H        SER  82  -1.808   9.247   9.247
  129    HA   SER  82           HA       SER  82   0.193   8.073   8.073
  130   1HB   SER  82          2HB       SER  82   1.567  10.445  10.445
  131   2HB   SER  82          1HB       SER  82   2.061   8.807   8.807
  132    HG   SER  82           HG       SER  82   1.974  10.090  10.090
  133    H    PHE  83           H        PHE  83   0.356   9.076   9.076
  134    HA   PHE  83           HA       PHE  83  -0.822  11.692  11.692
  135   1HB   PHE  83          1HB       PHE  83  -2.131   9.163   9.163
  136   2HB   PHE  83          2HB       PHE  83  -2.362  10.684  10.684
  137    HD1  PHE  83           HD1      PHE  83  -3.442  12.597  12.597
  138    HD2  PHE  83           HD2      PHE  83  -3.260   8.706   8.706
  139    HE1  PHE  83           HE1      PHE  83  -5.237  13.208  13.208
  140    HE2  PHE  83           HE2      PHE  83  -5.055   9.309   9.309
  141    HZ   PHE  83           HZ       PHE  83  -6.046  11.563  11.563
  142    H    SER  84           H        SER  84  -0.259  12.660  12.660
  143    HA   SER  84           HA       SER  84   2.156  11.888  11.888
  144   1HB   SER  84          2HB       SER  84   0.705  14.161  14.161
  145   2HB   SER  84          1HB       SER  84   0.316  13.535  13.535
  146    HG   SER  84           HG       SER  84   2.876  14.118  14.118
  147    H    VAL  85           H        VAL  85   2.512  11.368  11.368
  148    HA   VAL  85           HA       VAL  85   0.370  10.049  10.049
  149    HB   VAL  85           HB       VAL  85   2.587   8.154   8.154
  150   1HG1  VAL  85          1HG1      VAL  85  -0.371   8.104   8.104
  151   2HG1  VAL  85          3HG1      VAL  85   0.461   6.687   6.687
  152   3HG1  VAL  85          2HG1      VAL  85   0.868   7.295   7.295
  153   1HG2  VAL  85          2HG2      VAL  85   2.420   8.949   8.949
  154   2HG2  VAL  85          1HG2      VAL  85   1.869   7.283   7.283
  155   3HG2  VAL  85          3HG2      VAL  85   0.693   8.588   8.588
  156    H    LYS  86           H        LYS  86   1.275   8.863   8.863
  157    HA   LYS  86           HA       LYS  86   3.634  10.269  10.269
  158   1HB   LYS  86          1HB       LYS  86   0.951   9.838   9.838
  159   2HB   LYS  86          2HB       LYS  86   2.392  10.016  10.016
  160   1HG   LYS  86          1HG       LYS  86   2.429  12.111  12.111
  161   2HG   LYS  86          2HG       LYS  86   0.795  12.030  12.030
  162   1HD   LYS  86          2HD       LYS  86   2.243  11.757  11.757
  163   2HD   LYS  86          1HD       LYS  86   3.339  12.758  12.758
  164   1HE   LYS  86          1HE       LYS  86   1.271  14.215  14.215
  165   2HE   LYS  86          2HE       LYS  86   0.540  13.357  13.357
  166   1HZ   LYS  86          2HZ       LYS  86   2.796  14.051  14.051
  167   2HZ   LYS  86          1HZ       LYS  86   2.727  15.295  15.295
  168   3HZ   LYS  86          3HZ       LYS  86   1.465  15.094  15.094
  169    H    TYR  87           H        TYR  87   3.745   7.831   7.831
  170    HA   TYR  87           HA       TYR  87   3.403   5.474   5.474
  171   1HB   TYR  87          1HB       TYR  87   5.015   6.405   6.405
  172   2HB   TYR  87          2HB       TYR  87   6.163   5.683   5.683
  173    HD1  TYR  87           HD1      TYR  87   3.262   5.029   5.029
  174    HD2  TYR  87           HD2      TYR  87   6.251   3.309   3.309
  175    HE1  TYR  87           HE1      TYR  87   2.711   2.804   2.804
  176    HE2  TYR  87           HE2      TYR  87   5.710   1.078   1.078
  177    HH   TYR  87           HH2      TYR  87   4.378   0.398   0.398
  178    H    LEU  88           H        LEU  88   3.811   4.607   4.607
  179    HA   LEU  88           HA       LEU  88   5.457   5.858   5.858
  180   1HB   LEU  88          1HB       LEU  88   3.972   3.267   3.267
  181   2HB   LEU  88          2HB       LEU  88   5.136   3.501   3.501
  182    HG   LEU  88           HG       LEU  88   3.893   5.391   5.391
  183   1HD1  LEU  88          1HD2      LEU  88   2.376   5.083   5.083
  184   2HD1  LEU  88          3HD2      LEU  88   1.559   5.733   5.733
  185   3HD1  LEU  88          2HD2      LEU  88   2.988   6.542   6.542
  186   1HD2  LEU  88          3HD1      LEU  88   2.586   2.778   2.778
  187   2HD2  LEU  88          2HD1      LEU  88   2.978   3.630   3.630
  188   3HD2  LEU  88          1HD1      LEU  88   1.551   4.090   4.090
  189    H    GLY  89           H        GLY  89   5.829   2.983   2.983
  190   1HA   GLY  89          2HA       GLY  89   8.343   3.018   3.018
  191   2HA   GLY  89          1HA       GLY  89   8.586   2.657   2.657
  192    H    CYS  90           H        CYS  90   9.253   0.597   0.597
  193    HA   CYS  90           HA       CYS  90   7.405  -1.415  -1.415
  194   1HB   CYS  90          1HB       CYS  90   9.307  -2.745  -2.745
  195   2HB   CYS  90          2HB       CYS  90   9.104  -1.213  -1.213
  196    HG   CYS  90           HG       CYS  90  11.563  -1.197  -1.197
  197    H    VAL  91           H        VAL  91   7.441  -3.399  -3.399
  198    HA   VAL  91           HA       VAL  91   9.176  -3.584  -3.584
  199    HB   VAL  91           HB       VAL  91   7.196  -4.380  -4.380
  200   1HG1  VAL  91          2HG1      VAL  91   7.414  -1.534  -1.534
  201   2HG1  VAL  91          1HG1      VAL  91   6.323  -2.022  -2.022
  202   3HG1  VAL  91          3HG1      VAL  91   8.061  -2.260  -2.260
  203   1HG2  VAL  91          2HG2      VAL  91   5.773  -3.359  -3.359
  204   2HG2  VAL  91          1HG2      VAL  91   5.536  -4.871  -4.871
  205   3HG2  VAL  91          3HG2      VAL  91   4.994  -3.350  -3.350
  206    H    GLU  92           H        GLU  92  10.029  -5.548  -5.548
  207    HA   GLU  92           HA       GLU  92   9.446  -7.619  -7.619
  208   1HB   GLU  92          2HB       GLU  92  11.046  -8.955  -8.955
  209   2HB   GLU  92          1HB       GLU  92  11.679  -7.382  -7.382
  210   1HG   GLU  92          1HG       GLU  92  11.811  -6.660  -6.660
  211   2HG   GLU  92          2HG       GLU  92  10.321  -7.470  -7.470
  212    H    VAL  93           H        VAL  93   8.037  -9.237  -9.237
  213    HA   VAL  93           HA       VAL  93   6.811  -9.889  -9.889
  214    HB   VAL  93           HB       VAL  93   4.672 -10.295 -10.295
  215   1HG1  VAL  93          2HG1      VAL  93   5.387  -8.007  -8.007
  216   2HG1  VAL  93          1HG1      VAL  93   5.545  -7.540  -7.540
  217   3HG1  VAL  93          3HG1      VAL  93   3.984  -8.066  -8.066
  218   1HG2  VAL  93          1HG2      VAL  93   6.002 -10.613 -10.613
  219   2HG2  VAL  93          3HG2      VAL  93   4.289 -10.192 -10.192
  220   3HG2  VAL  93          2HG2      VAL  93   5.497  -8.935  -8.935
  221    H    PHE  94           H        PHE  94   5.349 -12.037 -12.037
  222    HA   PHE  94           HA       PHE  94   7.255 -13.926 -13.926
  223   1HB   PHE  94          2HB       PHE  94   5.987 -13.916 -13.916
  224   2HB   PHE  94          1HB       PHE  94   5.682 -15.413 -15.413
  225    HD1  PHE  94           HD1      PHE  94   7.548 -16.850 -16.850
  226    HD2  PHE  94           HD2      PHE  94   8.159 -13.374 -13.374
  227    HE1  PHE  94           HE1      PHE  94   9.787 -17.668 -17.668
  228    HE2  PHE  94           HE2      PHE  94  10.399 -14.184 -14.184
  229    HZ   PHE  94           HZ       PHE  94  11.214 -16.335 -16.335
  230    H    GLU  95           H        GLU  95   4.909 -12.470 -12.470
  231    HA   GLU  95           HA       GLU  95   3.594 -14.835 -14.835
  232   1HB   GLU  95          1HB       GLU  95   2.228 -12.526 -12.526
  233   2HB   GLU  95          2HB       GLU  95   1.411 -13.419 -13.419
  234   1HG   GLU  95          1HG       GLU  95   0.666 -14.645 -14.645
  235   2HG   GLU  95          2HG       GLU  95   2.214 -15.467 -15.467
  236    H    SER  96           H        SER  96   2.752 -11.417 -11.417
  237    HA   SER  96           HA       SER  96   2.716 -10.029 -10.029
  238   1HB   SER  96          2HB       SER  96   5.142 -11.699 -11.699
  239   2HB   SER  96          1HB       SER  96   4.593 -10.430 -10.430
  240    HG   SER  96           HG       SER  96   5.577  -9.087  -9.087
  241    H    ARG  97           H        ARG  97   1.299 -12.690 -12.690
  242    HA   ARG  97           HA       ARG  97   0.598 -12.683 -12.683
  243   1HB   ARG  97          1HB       ARG  97   2.205 -14.593 -14.593
  244   2HB   ARG  97          2HB       ARG  97   0.848 -15.271 -15.271
  245   1HG   ARG  97          2HG       ARG  97  -0.133 -14.641 -14.641
  246   2HG   ARG  97          1HG       ARG  97   1.436 -15.408 -15.408
  247   1HD   ARG  97          2HD       ARG  97   0.292 -17.328 -17.328
  248   2HD   ARG  97          1HD       ARG  97   0.350 -17.007 -17.007
  249    HE   ARG  97           HE       ARG  97  -1.898 -16.535 -16.535
  250   1HH1  ARG  97          1HH1      ARG  97  -0.682 -16.692 -16.692
  251   2HH1  ARG  97          2HH1      ARG  97  -2.254 -16.649 -16.649
  252   1HH2  ARG  97          1HH2      ARG  97  -3.973 -16.477 -16.477
  253   2HH2  ARG  97          2HH2      ARG  97  -4.125 -16.527 -16.527
  254    H    GLY  98           H        GLY  98  -0.594 -11.674 -11.674
  255   1HA   GLY  98          1HA       GLY  98  -3.222 -12.937 -12.937
  256   2HA   GLY  98          2HA       GLY  98  -2.568 -12.794 -12.794
  257    H    MET  99           H        MET  99  -4.638 -11.598 -11.598
  258    HA   MET  99           HA       MET  99  -4.399  -8.806  -8.806
  259   1HB   MET  99          2HB       MET  99  -6.448 -10.019 -10.019
  260   2HB   MET  99          1HB       MET  99  -6.875 -10.249 -10.249
  261   1HG   MET  99          1HG       MET  99  -6.414  -7.509  -7.509
  262   2HG   MET  99          2HG       MET  99  -7.962  -8.326  -8.326
  263   1HE   MET  99          3HE       MET  99  -6.116  -5.983  -5.983
  264   2HE   MET  99          2HE       MET  99  -7.692  -5.365  -5.365
  265   3HE   MET  99          1HE       MET  99  -6.519  -5.873  -5.873
  266    H    GLN 100           H        GLN 100  -5.061 -10.884 -10.884
  267    HA   GLN 100           HA       GLN 100  -5.557  -8.897  -8.897
  268   1HB   GLN 100          1HB       GLN 100  -4.279 -11.614 -11.614
  269   2HB   GLN 100          2HB       GLN 100  -4.899 -10.607 -10.607
  270   1HG   GLN 100          2HG       GLN 100  -6.905 -10.973 -10.973
  271   2HG   GLN 100          1HG       GLN 100  -6.281 -12.529 -12.529
  272   1HE2  GLN 100          2HE2      GLN 100  -8.408 -10.132 -10.132
  273   2HE2  GLN 100          1HE2      GLN 100  -7.719  -9.507  -9.507
  274    H    VAL 101           H        VAL 101  -2.504 -10.472 -10.472
  275    HA   VAL 101           HA       VAL 101  -0.782  -9.320  -9.320
  276    HB   VAL 101           HB       VAL 101  -0.195  -9.798  -9.798
  277   1HG1  VAL 101          2HG1      VAL 101   1.388  -8.665  -8.665
  278   2HG1  VAL 101          1HG1      VAL 101   2.016 -10.283 -10.283
  279   3HG1  VAL 101          3HG1      VAL 101   1.877  -9.121  -9.121
  280   1HG2  VAL 101          2HG2      VAL 101  -1.079 -11.669 -11.669
  281   2HG2  VAL 101          1HG2      VAL 101   0.024 -12.003 -12.003
  282   3HG2  VAL 101          3HG2      VAL 101   0.658 -11.754 -11.754
  283    H    CYS 102           H        CYS 102  -2.396  -7.841  -7.841
  284    HA   CYS 102           HA       CYS 102  -0.724  -5.580  -5.580
  285   1HB   CYS 102          2HB       CYS 102  -3.686  -5.664  -5.664
  286   2HB   CYS 102          1HB       CYS 102  -2.462  -4.659  -4.659
  287    HG   CYS 102           HG       CYS 102  -3.339  -7.154  -7.154
  288    H    GLU 103           H        GLU 103  -3.663  -6.160  -6.160
  289    HA   GLU 103           HA       GLU 103  -4.103  -3.612  -3.612
  290   1HB   GLU 103          2HB       GLU 103  -4.827  -6.331  -6.331
  291   2HB   GLU 103          1HB       GLU 103  -4.699  -5.242  -5.242
  292   1HG   GLU 103          1HG       GLU 103  -6.159  -3.671  -3.671
  293   2HG   GLU 103          2HG       GLU 103  -6.584  -5.182  -5.182
  294    H    GLU 104           H        GLU 104  -2.153  -6.184  -6.184
  295    HA   GLU 104           HA       GLU 104  -1.139  -4.404  -4.404
  296   1HB   GLU 104          1HB       GLU 104   0.316  -6.319  -6.319
  297   2HB   GLU 104          2HB       GLU 104  -1.390  -6.740  -6.740
  298   1HG   GLU 104          1HG       GLU 104  -0.576  -7.319  -7.319
  299   2HG   GLU 104          2HG       GLU 104   0.861  -7.718  -7.718
  300    H    ALA 105           H        ALA 105   0.042  -5.710  -5.710
  301    HA   ALA 105           HA       ALA 105   2.706  -5.022  -5.022
  302   1HB   ALA 105          2HB       ALA 105   0.728  -5.112  -5.112
  303   2HB   ALA 105          1HB       ALA 105   2.341  -4.469  -4.469
  304   3HB   ALA 105          3HB       ALA 105   2.146  -6.119  -6.119
  305    H    LEU 106           H        LEU 106  -0.067  -2.954  -2.954
  306    HA   LEU 106           HA       LEU 106   1.404  -0.596  -0.596
  307   1HB   LEU 106          1HB       LEU 106  -1.125  -1.200  -1.200
  308   2HB   LEU 106          2HB       LEU 106  -1.311  -0.522  -0.522
  309    HG   LEU 106           HG       LEU 106   0.138   1.083   1.083
  310   1HD1  LEU 106          2HD1      LEU 106  -2.273   0.025   0.025
  311   2HD1  LEU 106          1HD1      LEU 106  -2.754   1.535   1.535
  312   3HD1  LEU 106          3HD1      LEU 106  -1.641   1.560   1.560
  313   1HD2  LEU 106          3HD2      LEU 106  -1.085   1.458   1.458
  314   2HD2  LEU 106          2HD2      LEU 106   0.079   2.467   2.467
  315   3HD2  LEU 106          1HD2      LEU 106  -1.646   2.645   2.645
  316    H    LYS 107           H        LYS 107  -0.016  -1.923  -1.923
  317    HA   LYS 107           HA       LYS 107   0.577   0.276   0.276
  318   1HB   LYS 107          1HB       LYS 107   0.097  -1.133  -1.133
  319   2HB   LYS 107          2HB       LYS 107  -0.912  -1.717  -1.717
  320   1HG   LYS 107          1HG       LYS 107   0.298  -3.654  -3.654
  321   2HG   LYS 107          2HG       LYS 107   1.741  -2.991  -2.991
  322   1HD   LYS 107          1HD       LYS 107   0.780  -3.115  -3.115
  323   2HD   LYS 107          2HD       LYS 107  -0.830  -3.386  -3.386
  324   1HE   LYS 107          2HE       LYS 107  -0.507  -5.594  -5.594
  325   2HE   LYS 107          1HE       LYS 107   1.108  -5.385  -5.385
  326   1HZ   LYS 107          3HZ       LYS 107   1.871  -4.924  -4.924
  327   2HZ   LYS 107          2HZ       LYS 107   0.345  -5.401  -5.401
  328   3HZ   LYS 107          1HZ       LYS 107   1.337  -6.508  -6.508
  329    H    VAL 108           H        VAL 108   2.471  -2.464  -2.464
  330    HA   VAL 108           HA       VAL 108   4.657  -2.077  -2.077
  331    HB   VAL 108           HB       VAL 108   4.768  -3.365  -3.365
  332   1HG1  VAL 108          3HG1      VAL 108   6.488  -3.463  -3.463
  333   2HG1  VAL 108          2HG1      VAL 108   6.510  -4.766  -4.766
  334   3HG1  VAL 108          1HG1      VAL 108   6.954  -3.127  -3.127
  335   1HG2  VAL 108          3HG2      VAL 108   3.113  -4.117  -4.117
  336   2HG2  VAL 108          2HG2      VAL 108   3.580  -5.105  -5.105
  337   3HG2  VAL 108          1HG2      VAL 108   4.504  -5.196  -5.196
  338    H    LEU 109           H        LEU 109   3.831  -0.829  -0.829
  339    HA   LEU 109           HA       LEU 109   6.267   0.290   0.290
  340   1HB   LEU 109          1HB       LEU 109   3.443   0.681   0.681
  341   2HB   LEU 109          2HB       LEU 109   4.392   2.143   2.143
  342    HG   LEU 109           HG       LEU 109   4.380   1.124   1.124
  343   1HD1  LEU 109          2HD2      LEU 109   6.773   1.407   1.407
  344   2HD1  LEU 109          1HD2      LEU 109   6.947  -0.019  -0.019
  345   3HD1  LEU 109          3HD2      LEU 109   6.534   1.538   1.538
  346   1HD2  LEU 109          3HD1      LEU 109   4.942  -1.415  -1.415
  347   2HD2  LEU 109          2HD1      LEU 109   3.617  -1.052  -1.052
  348   3HD2  LEU 109          1HD1      LEU 109   5.256  -1.262  -1.262
  349    H    ARG 110           H        ARG 110   3.971   1.241   1.241
  350    HA   ARG 110           HA       ARG 110   5.303   3.806   3.806
  351   1HB   ARG 110          2HB       ARG 110   2.863   3.823   3.823
  352   2HB   ARG 110          1HB       ARG 110   2.847   2.574   2.574
  353   1HG   ARG 110          1HG       ARG 110   4.389   4.937   4.937
  354   2HG   ARG 110          2HG       ARG 110   2.679   5.262   5.262
  355   1HD   ARG 110          2HD       ARG 110   2.379   3.091   3.091
  356   2HD   ARG 110          1HD       ARG 110   3.966   3.567   3.567
  357    HE   ARG 110           HE       ARG 110   1.460   4.847   4.847
  358   1HH1  ARG 110          1HH1      ARG 110   4.899   5.331   5.331
  359   2HH1  ARG 110          2HH1      ARG 110   4.913   6.704   6.704
  360   1HH2  ARG 110          1HH2      ARG 110   1.466   6.655   6.655
  361   2HH2  ARG 110          2HH2      ARG 110   2.962   7.457   7.457
  362    H    GLN 111           H        GLN 111   4.468   0.820   0.820
  363    HA   GLN 111           HA       GLN 111   5.665   1.290   1.290
  364   1HB   GLN 111          1HB       GLN 111   4.626  -0.956  -0.956
  365   2HB   GLN 111          2HB       GLN 111   6.162  -1.424  -1.424
  366   1HG   GLN 111          1HG       GLN 111   3.787  -0.264  -0.264
  367   2HG   GLN 111          2HG       GLN 111   4.328  -1.941  -1.941
  368   1HE2  GLN 111          2HE2      GLN 111   6.908  -1.405  -1.405
  369   2HE2  GLN 111          1HE2      GLN 111   6.254  -2.455  -2.455
  370    H    SER 112           H        SER 112   7.133   0.732   0.732
  371    HA   SER 112           HA       SER 112   9.756   0.293   0.293
  372   1HB   SER 112          1HB       SER 112   8.485  -0.660  -0.660
  373   2HB   SER 112          2HB       SER 112   9.919   0.249   0.249
  374    HG   SER 112           HG       SER 112   9.712  -2.167  -2.167
  375    H    ARG 113           H        ARG 113  11.571   1.347   1.347
  376    HA   ARG 113           HA       ARG 113  11.367   4.145   4.145
  377   1HB   ARG 113          2HB       ARG 113  13.581   4.281   4.281
  378   2HB   ARG 113          1HB       ARG 113  13.483   2.742   2.742
  379   1HG   ARG 113          1HG       ARG 113  13.136   2.980   2.980
  380   2HG   ARG 113          2HG       ARG 113  14.709   2.756   2.756
  381   1HD   ARG 113          1HD       ARG 113  13.505   0.762   0.762
  382   2HD   ARG 113          2HD       ARG 113  12.396   0.881   0.881
  383    HE   ARG 113           HE       ARG 113  14.779   0.820   0.820
  384   1HH1  ARG 113          1HH1      ARG 113  13.413  -1.177  -1.177
  385   2HH1  ARG 113          2HH1      ARG 113  14.295  -2.591  -2.591
  386   1HH2  ARG 113          1HH2      ARG 113  15.941  -1.037  -1.037
  387   2HH2  ARG 113          2HH2      ARG 113  15.732  -2.512  -2.512
  388    H    ARG 114           H        ARG 114  10.239   2.158   2.158
  389    HA   ARG 114           HA       ARG 114  10.589   3.435   3.435
  390   1HB   ARG 114          2HB       ARG 114   8.385   1.887   1.887
  391   2HB   ARG 114          1HB       ARG 114   7.934   2.874   2.874
  392   1HG   ARG 114          1HG       ARG 114   8.600   0.476   0.476
  393   2HG   ARG 114          2HG       ARG 114   9.380   1.722   1.722
  394   1HD   ARG 114          1HD       ARG 114  10.789   1.030   1.030
  395   2HD   ARG 114          2HD       ARG 114  10.679  -0.278  -0.278
  396    HE   ARG 114           HE       ARG 114  11.557   2.252   2.252
  397   1HH1  ARG 114          1HH1      ARG 114  12.518  -0.771  -0.771
  398   2HH1  ARG 114          2HH1      ARG 114  14.123  -0.715  -0.715
  399   1HH2  ARG 114          1HH2      ARG 114  13.669   2.333   2.333
  400   2HH2  ARG 114          2HH2      ARG 114  14.778   1.049   1.049
  401    H    ARG 115           H        ARG 115  10.602   5.556   5.556
  402    HA   ARG 115           HA       ARG 115   8.575   7.253   7.253
  403   1HB   ARG 115          2HB       ARG 115   9.984   9.133   9.133
  404   2HB   ARG 115          1HB       ARG 115  10.911   7.953   7.953
  405   1HG   ARG 115          2HG       ARG 115  11.612   7.016   7.016
  406   2HG   ARG 115          1HG       ARG 115  11.003   8.538   8.538
  407   1HD   ARG 115          1HD       ARG 115  12.545   9.351   9.351
  408   2HD   ARG 115          2HD       ARG 115  13.450   7.980   7.980
  409    HE   ARG 115           HE       ARG 115  12.858   9.440   9.440
  410   1HH1  ARG 115          1HH1      ARG 115  14.360  10.175  10.175
  411   2HH1  ARG 115          2HH1      ARG 115  15.370  11.423  11.423
  412   1HH2  ARG 115          1HH2      ARG 115  14.183  11.083  11.083
  413   2HH2  ARG 115          2HH2      ARG 115  15.269  11.940  11.940
  414    HA   PRO 116           HA       PRO 116   6.081   7.645   7.645
  415   1HB   PRO 116          2HB       PRO 116   5.918  10.531  10.531
  416   2HB   PRO 116          1HB       PRO 116   4.621   9.359   9.359
  417   1HG   PRO 116          1HG       PRO 116   5.248  10.185  10.185
  418   2HG   PRO 116          2HG       PRO 116   4.804   8.496   8.496
  419   1HD   PRO 116          1HD       PRO 116   7.504   9.697   9.697
  420   2HD   PRO 116          2HD       PRO 116   6.853   8.140   8.140
  421    H    VAL 117           H        VAL 117   6.001   8.667   8.667
  422    HA   VAL 117           HA       VAL 117   8.511  10.031  10.031
  423    HB   VAL 117           HB       VAL 117   8.019   7.636   7.636
  424   1HG1  VAL 117          2HG2      VAL 117   5.704   8.388   8.388
  425   2HG1  VAL 117          1HG2      VAL 117   6.578   9.127   9.127
  426   3HG1  VAL 117          3HG2      VAL 117   6.687   7.387   7.387
  427   1HG2  VAL 117          2HG1      VAL 117   9.595   9.712   9.712
  428   2HG2  VAL 117          1HG1      VAL 117   9.674   8.058   8.058
  429   3HG2  VAL 117          3HG1      VAL 117   8.737   9.273   9.273
  430    H    ARG 118           H        ARG 118   8.169  11.190  11.190
  431    HA   ARG 118           HA       ARG 118   5.543  12.411  12.411
  432   1HB   ARG 118          2HB       ARG 118   7.302  13.700  13.700
  433   2HB   ARG 118          1HB       ARG 118   7.776  14.361  14.361
  434   1HG   ARG 118          2HG       ARG 118   5.931  15.615  15.615
  435   2HG   ARG 118          1HG       ARG 118   4.888  14.343  14.343
  436   1HD   ARG 118          2HD       ARG 118   4.728  15.774  15.774
  437   2HD   ARG 118          1HD       ARG 118   6.217  14.966  14.966
  438    HE   ARG 118           HE       ARG 118   7.271  16.965  16.965
  439   1HH1  ARG 118          2HH2      ARG 118   4.464  16.970  16.970
  440   2HH1  ARG 118          1HH2      ARG 118   4.698  18.601  18.601
  441   1HH2  ARG 118          2HH1      ARG 118   7.589  19.114  19.114
  442   2HH2  ARG 118          1HH1      ARG 118   6.475  19.820  19.820
  443    H    GLY 119           H        GLY 119   5.647  11.166  11.166
  444   1HA   GLY 119          2HA       GLY 119   6.989  12.685  12.685
  445   2HA   GLY 119          1HA       GLY 119   7.337  10.969  10.969
  446    H    LEU 120           H        LEU 120   6.504  10.572  10.572
  447    HA   LEU 120           HA       LEU 120   3.573  10.796  10.796
  448   1HB   LEU 120          1HB       LEU 120   5.716  11.579  11.579
  449   2HB   LEU 120          2HB       LEU 120   4.595  10.484  10.484
  450    HG   LEU 120           HG       LEU 120   4.017  13.192  13.192
  451   1HD1  LEU 120          1HD1      LEU 120   4.919  12.912  12.912
  452   2HD1  LEU 120          3HD1      LEU 120   3.394  12.113  12.113
  453   3HD1  LEU 120          2HD1      LEU 120   3.398  13.792  13.792
  454   1HD2  LEU 120          1HD2      LEU 120   2.288  10.922  10.922
  455   2HD2  LEU 120          3HD2      LEU 120   1.949  12.566  12.566
  456   3HD2  LEU 120          2HD2      LEU 120   1.703  12.127  12.127
  457    H    LEU 121           H        LEU 121   2.450   8.976   8.976
  458    HA   LEU 121           HA       LEU 121   3.902   6.465   6.465
  459   1HB   LEU 121          1HB       LEU 121   1.593   7.175   7.175
  460   2HB   LEU 121          2HB       LEU 121   0.986   6.317   6.317
  461    HG   LEU 121           HG       LEU 121   2.839   5.267   5.267
  462   1HD1  LEU 121          3HD2      LEU 121   0.090   5.316   5.316
  463   2HD1  LEU 121          2HD2      LEU 121   0.512   3.708   3.708
  464   3HD1  LEU 121          1HD2      LEU 121   1.050   4.232   4.232
  465   1HD2  LEU 121          2HD1      LEU 121   2.941   4.607   4.607
  466   2HD2  LEU 121          1HD1      LEU 121   3.639   3.709   3.709
  467   3HD2  LEU 121          3HD1      LEU 121   2.024   3.310   3.310
  468    H    HIS 122           H        HIS 122   4.506   6.085   6.085
  469    HA   HIS 122           HA       HIS 122   3.050   7.051   7.051
  470   1HB   HIS 122          2HB       HIS 122   5.506   5.447   5.447
  471   2HB   HIS 122          1HB       HIS 122   4.700   5.221   5.221
  472    HD1  HIS 122           HD1      HIS 122   4.841   7.160   7.160
  473    HD2  HIS 122           HD2      HIS 122   6.591   7.998   7.998
  474    HE1  HIS 122           HE1      HIS 122   6.151   9.301   9.301
  475    H    VAL 123           H        VAL 123   0.980   6.023   6.023
  476    HA   VAL 123           HA       VAL 123   0.681   3.189   3.189
  477    HB   VAL 123           HB       VAL 123  -1.422   5.329   5.329
  478   1HG1  VAL 123          2HG1      VAL 123  -2.192   3.255   3.255
  479   2HG1  VAL 123          1HG1      VAL 123  -1.733   2.345   2.345
  480   3HG1  VAL 123          3HG1      VAL 123  -2.996   3.571   3.571
  481   1HG2  VAL 123          2HG2      VAL 123   0.301   4.775   4.775
  482   2HG2  VAL 123          1HG2      VAL 123  -1.414   4.908   4.908
  483   3HG2  VAL 123          3HG2      VAL 123  -0.673   3.318   3.318
  484    H    SER 124           H        SER 124   1.138   2.649   2.649
  485    HA   SER 124           HA       SER 124  -0.537   3.941   3.941
  486   1HB   SER 124          1HB       SER 124   1.208   3.750   3.750
  487   2HB   SER 124          2HB       SER 124   2.011   4.298   4.298
  488    HG   SER 124           HG       SER 124   2.480   2.031   2.031
  489    H    GLY 125           H        GLY 125  -1.528   1.813   1.813
  490   1HA   GLY 125          2HA       GLY 125  -2.322  -0.349  -0.349
  491   2HA   GLY 125          1HA       GLY 125  -2.605   0.117   0.117
  492    H    ASP 126           H        ASP 126   0.467  -0.383  -0.383
  493    HA   ASP 126           HA       ASP 126   0.955  -2.922  -2.922
  494   1HB   ASP 126          1HB       ASP 126   1.307  -1.375  -1.375
  495   2HB   ASP 126          2HB       ASP 126   2.578  -0.574  -0.574
  496    H    GLY 127           H        GLY 127   2.416  -0.050  -0.050
  497   1HA   GLY 127          2HA       GLY 127   3.778  -1.830  -1.830
  498   2HA   GLY 127          1HA       GLY 127   4.784  -0.759  -0.759
  499    H    LEU 128           H        LEU 128   3.659  -1.112  -1.112
  500    HA   LEU 128           HA       LEU 128   2.759   1.593   1.593
  501   1HB   LEU 128          2HB       LEU 128   3.022  -0.941  -0.941
  502   2HB   LEU 128          1HB       LEU 128   3.081   0.553   0.553
  503    HG   LEU 128           HG       LEU 128   0.862   0.979   0.979
  504   1HD1  LEU 128          3HD2      LEU 128   1.098  -0.364  -0.364
  505   2HD1  LEU 128          2HD2      LEU 128  -0.466   0.026   0.026
  506   3HD1  LEU 128          1HD2      LEU 128   0.688   1.313   1.313
  507   1HD2  LEU 128          1HD1      LEU 128   1.008  -1.993  -1.993
  508   2HD2  LEU 128          3HD1      LEU 128   0.998  -1.165  -1.165
  509   3HD2  LEU 128          2HD1      LEU 128  -0.430  -1.114  -1.114
  510    H    ARG 129           H        ARG 129   4.875   2.431   2.431
  511    HA   ARG 129           HA       ARG 129   7.168   2.111   2.111
  512   1HB   ARG 129          1HB       ARG 129   6.842   3.879   3.879
  513   2HB   ARG 129          2HB       ARG 129   8.353   3.488   3.488
  514   1HG   ARG 129          2HG       ARG 129   8.106   1.151   1.151
  515   2HG   ARG 129          1HG       ARG 129   6.561   1.513   1.513
  516   1HD   ARG 129          2HD       ARG 129   7.598   2.093   2.093
  517   2HD   ARG 129          1HD       ARG 129   8.541   3.303   3.303
  518    HE   ARG 129           HE       ARG 129   9.570   0.653   0.653
  519   1HH1  ARG 129          1HH1      ARG 129   9.515   3.436   3.436
  520   2HH1  ARG 129          2HH1      ARG 129  11.041   3.073   3.073
  521   1HH2  ARG 129          1HH2      ARG 129  11.580   0.165   0.165
  522   2HH2  ARG 129          2HH2      ARG 129  12.213   1.214   1.214
  523    H    VAL 130           H        VAL 130   6.513   3.068   3.068
  524    HA   VAL 130           HA       VAL 130   5.626   5.833   5.833
  525    HB   VAL 130           HB       VAL 130   4.609   4.353   4.353
  526   1HG1  VAL 130          1HG2      VAL 130   7.274   3.367   3.367
  527   2HG1  VAL 130          3HG2      VAL 130   6.665   3.860   3.860
  528   3HG1  VAL 130          2HG2      VAL 130   5.767   2.689   2.689
  529   1HG2  VAL 130          2HG1      VAL 130   6.489   6.300   6.300
  530   2HG2  VAL 130          1HG1      VAL 130   4.889   6.665   6.665
  531   3HG2  VAL 130          3HG1      VAL 130   5.055   5.589   5.589
  532    H    VAL 131           H        VAL 131   7.404   6.988   6.988
  533    HA   VAL 131           HA       VAL 131   9.971   6.710   6.710
  534    HB   VAL 131           HB       VAL 131   9.787   7.134   7.134
  535   1HG1  VAL 131          2HG2      VAL 131   8.052   9.147   9.147
  536   2HG1  VAL 131          1HG2      VAL 131   9.516  10.015  10.015
  537   3HG1  VAL 131          3HG2      VAL 131   8.745   8.910   8.910
  538   1HG2  VAL 131          1HG1      VAL 131  11.835   7.577   7.577
  539   2HG2  VAL 131          3HG1      VAL 131  11.686   8.601   8.601
  540   3HG2  VAL 131          2HG1      VAL 131  11.316   9.254   9.254
  541    H    ASP 132           H        ASP 132  11.097   8.618   8.618
  542    HA   ASP 132           HA       ASP 132   9.239  10.246  10.246
  543   1HB   ASP 132          1HB       ASP 132  11.771  10.775  10.775
  544   2HB   ASP 132          2HB       ASP 132  10.608   9.655   9.655
  545    H    ASP 133           H        ASP 133   9.456  12.499  12.499
  546    HA   ASP 133           HA       ASP 133  10.774  13.681  13.681
  547   1HB   ASP 133          2HB       ASP 133   8.304  14.032  14.032
  548   2HB   ASP 133          1HB       ASP 133   8.776  15.006  15.006
  549    H    GLU 134           H        GLU 134  11.898  13.004  13.004
  550    HA   GLU 134           HA       GLU 134  12.998  15.675  15.675
  551   1HB   GLU 134          1HB       GLU 134  11.722  14.315  14.315
  552   2HB   GLU 134          2HB       GLU 134  13.184  13.342  13.342
  553   1HG   GLU 134          1HG       GLU 134  14.356  14.941  14.941
  554   2HG   GLU 134          2HG       GLU 134  13.583  16.250  16.250
  555    H    THR 135           H        THR 135  13.815  12.252  12.252
  556    HA   THR 135           HA       THR 135  16.618  13.019  13.019
  557    HB   THR 135           HB       THR 135  17.156  10.640  10.640
  558    HG1  THR 135          1HG       THR 135  15.474   9.383   9.383
  559   1HG2  THR 135          3HG2      THR 135  16.390  12.646  12.646
  560   2HG2  THR 135          2HG2      THR 135  15.844  11.088  11.088
  561   3HG2  THR 135          1HG2      THR 135  17.544  11.330  11.330
  562    H    LYS 136           H        LYS 136  13.784  11.666  11.666
  563    HA   LYS 136           HA       LYS 136  13.283  11.093  11.093
  564   1HB   LYS 136          2HB       LYS 136  15.490  12.733  12.733
  565   2HB   LYS 136          1HB       LYS 136  15.952  11.272  11.272
  566   1HG   LYS 136          1HG       LYS 136  14.845  12.999  12.999
  567   2HG   LYS 136          2HG       LYS 136  14.051  11.423  11.423
  568   1HD   LYS 136          2HD       LYS 136  12.150  12.300  12.300
  569   2HD   LYS 136          1HD       LYS 136  12.988  13.060  13.060
  570   1HE   LYS 136          1HE       LYS 136  11.821  14.690  14.690
  571   2HE   LYS 136          2HE       LYS 136  13.562  14.963  14.963
  572   1HZ   LYS 136          3HZ       LYS 136  12.663  13.250  13.250
  573   2HZ   LYS 136          2HZ       LYS 136  12.157  14.859  14.859
  574   3HZ   LYS 136          1HZ       LYS 136  13.806  14.497  14.497
  575    H    GLY 137           H        GLY 137  14.004   9.169   9.169
  576   1HA   GLY 137          2HA       GLY 137  15.399   7.148   7.148
  577   2HA   GLY 137          1HA       GLY 137  15.289   7.108   7.108
  578    H    LEU 138           H        LEU 138  14.443   5.253   5.253
  579    HA   LEU 138           HA       LEU 138  11.592   5.136   5.136
  580   1HB   LEU 138          1HB       LEU 138  12.631   4.260   4.260
  581   2HB   LEU 138          2HB       LEU 138  13.715   3.255   3.255
  582    HG   LEU 138           HG       LEU 138  12.059   1.662   1.662
  583   1HD1  LEU 138          2HD1      LEU 138  10.178   3.906   3.906
  584   2HD1  LEU 138          1HD1      LEU 138   9.624   2.273   2.273
  585   3HD1  LEU 138          3HD1      LEU 138  10.173   2.670   2.670
  586   1HD2  LEU 138          1HD2      LEU 138  12.802   2.003   2.003
  587   2HD2  LEU 138          3HD2      LEU 138  11.463   0.913   0.913
  588   3HD2  LEU 138          2HD2      LEU 138  11.140   2.539   2.539
  589    H    ILE 139           H        ILE 139  10.543   4.646   4.646
  590    HA   ILE 139           HA       ILE 139  11.676   3.221   3.221
  591    HB   ILE 139           HB       ILE 139   8.742   3.726   3.726
  592   1HG1  ILE 139          2HG1      ILE 139  10.780   5.496   5.496
  593   2HG1  ILE 139          1HG1      ILE 139  10.063   5.808   5.808
  594   1HG2  ILE 139          2HG2      ILE 139  10.377   2.912   2.912
  595   2HG2  ILE 139          1HG2      ILE 139   8.925   3.881   3.881
  596   3HG2  ILE 139          3HG2      ILE 139   8.812   2.312   2.312
  597   1HD1  ILE 139          3HD1      ILE 139   7.818   5.737   5.737
  598   2HD1  ILE 139          2HD1      ILE 139   8.797   5.941   5.941
  599   3HD1  ILE 139          1HD1      ILE 139   8.848   7.158   7.158
  600    H    VAL 140           H        VAL 140   8.910   2.331   2.331
  601    HA   VAL 140           HA       VAL 140   9.546  -0.487  -0.487
  602    HB   VAL 140           HB       VAL 140   6.904   0.694   0.694
  603   1HG1  VAL 140          3HG1      VAL 140   7.899  -1.937  -1.937
  604   2HG1  VAL 140          2HG1      VAL 140   6.710  -1.951  -1.951
  605   3HG1  VAL 140          1HG1      VAL 140   6.260  -1.360  -1.360
  606   1HG2  VAL 140          3HG2      VAL 140   7.951  -0.216  -0.216
  607   2HG2  VAL 140          2HG2      VAL 140   7.154   1.302   1.302
  608   3HG2  VAL 140          1HG2      VAL 140   6.222  -0.195  -0.195
  609    H    ASP 141           H        ASP 141  10.897  -1.068  -1.068
  610    HA   ASP 141           HA       ASP 141  10.218  -0.370  -0.370
  611   1HB   ASP 141          2HB       ASP 141  12.543  -0.060  -0.060
  612   2HB   ASP 141          1HB       ASP 141  12.650  -1.713  -1.713
  613    H    GLN 142           H        GLN 142   8.268  -1.756  -1.756
  614    HA   GLN 142           HA       GLN 142   8.929  -4.478  -4.478
  615   1HB   GLN 142          1HB       GLN 142   7.801  -3.841  -3.841
  616   2HB   GLN 142          2HB       GLN 142   6.518  -4.556  -4.556
  617   1HG   GLN 142          1HG       GLN 142   9.073  -5.979  -5.979
  618   2HG   GLN 142          2HG       GLN 142   8.330  -5.946  -5.946
  619   1HE2  GLN 142          1HE2      GLN 142   6.724  -8.859  -8.859
  620   2HE2  GLN 142          2HE2      GLN 142   8.017  -8.203  -8.203
  621    H    THR 143           H        THR 143   6.902  -5.597  -5.597
  622    HA   THR 143           HA       THR 143   5.459  -3.679  -3.679
  623    HB   THR 143           HB       THR 143   5.896  -6.650  -6.650
  624    HG1  THR 143          1HG       THR 143   7.012  -4.474  -4.474
  625   1HG2  THR 143          1HG2      THR 143   3.992  -4.978  -4.978
  626   2HG2  THR 143          3HG2      THR 143   5.241  -5.328  -5.328
  627   3HG2  THR 143          2HG2      THR 143   4.397  -6.650  -6.650
  628    H    ILE 144           H        ILE 144   3.231  -3.677  -3.677
  629    HA   ILE 144           HA       ILE 144   1.849  -4.618  -4.618
  630    HB   ILE 144           HB       ILE 144   1.329  -2.531  -2.531
  631   1HG1  ILE 144          1HG1      ILE 144  -1.012  -4.311  -4.311
  632   2HG1  ILE 144          2HG1      ILE 144  -0.031  -3.472  -3.472
  633   1HG2  ILE 144          1HG2      ILE 144   1.042  -4.178  -4.178
  634   2HG2  ILE 144          3HG2      ILE 144  -0.634  -4.100  -4.100
  635   3HG2  ILE 144          2HG2      ILE 144   0.225  -2.619  -2.619
  636   1HD1  ILE 144          1HD1      ILE 144  -0.842  -1.561  -1.561
  637   2HD1  ILE 144          3HD1      ILE 144  -2.259  -2.510  -2.510
  638   3HD1  ILE 144          2HD1      ILE 144  -1.314  -1.695  -1.695
  639    H    GLU 145           H        GLU 145   2.359  -5.865  -5.865
  640    HA   GLU 145           HA       GLU 145   0.258  -7.835  -7.835
  641   1HB   GLU 145          1HB       GLU 145   2.554  -7.887  -7.887
  642   2HB   GLU 145          2HB       GLU 145   0.929  -8.524  -8.524
  643   1HG   GLU 145          2HG       GLU 145   0.211  -6.619  -6.619
  644   2HG   GLU 145          1HG       GLU 145   0.859  -5.689  -5.689
  645    H    LYS 146           H        LYS 146   3.682  -7.630  -7.630
  646    HA   LYS 146           HA       LYS 146   3.900 -10.507 -10.507
  647   1HB   LYS 146          2HB       LYS 146   5.693  -8.880  -8.880
  648   2HB   LYS 146          1HB       LYS 146   6.099  -8.587  -8.587
  649   1HG   LYS 146          2HG       LYS 146   6.206 -11.173 -11.173
  650   2HG   LYS 146          1HG       LYS 146   6.352 -11.096 -11.096
  651   1HD   LYS 146          2HD       LYS 146   8.279  -9.572  -9.572
  652   2HD   LYS 146          1HD       LYS 146   8.156  -9.752  -9.752
  653   1HE   LYS 146          2HE       LYS 146   8.899 -11.817 -11.817
  654   2HE   LYS 146          1HE       LYS 146   9.833 -11.261 -11.261
  655   1HZ   LYS 146          3HZ       LYS 146   7.876 -12.216 -12.216
  656   2HZ   LYS 146          2HZ       LYS 146   7.523 -13.085 -13.085
  657   3HZ   LYS 146          1HZ       LYS 146   9.019 -13.284 -13.284
  658    H    VAL 147           H        VAL 147   4.044  -7.503  -7.503
  659    HA   VAL 147           HA       VAL 147   4.799  -8.393  -8.393
  660    HB   VAL 147           HB       VAL 147   4.280  -6.031  -6.031
  661   1HG1  VAL 147          1HG2      VAL 147   2.161  -6.436  -6.436
  662   2HG1  VAL 147          3HG2      VAL 147   1.406  -6.862  -6.862
  663   3HG1  VAL 147          2HG2      VAL 147   1.998  -5.223  -5.223
  664   1HG2  VAL 147          2HG1      VAL 147   4.374  -7.070  -7.070
  665   2HG2  VAL 147          1HG1      VAL 147   3.755  -5.431  -5.431
  666   3HG2  VAL 147          3HG1      VAL 147   2.635  -6.778  -6.778
  667    H    SER 148           H        SER 148   3.495  -8.840  -8.840
  668    HA   SER 148           HA       SER 148   1.919 -11.092 -11.092
  669   1HB   SER 148          2HB       SER 148   1.524  -9.171  -9.171
  670   2HB   SER 148          1HB       SER 148   1.533 -10.935 -10.935
  671    HG   SER 148           HG       SER 148   3.558 -10.779 -10.779
  672    H    PHE 149           H        PHE 149   0.897  -7.730  -7.730
  673    HA   PHE 149           HA       PHE 149  -1.114  -7.305  -7.305
  674   1HB   PHE 149          1HB       PHE 149  -3.244  -8.053  -8.053
  675   2HB   PHE 149          2HB       PHE 149  -2.292  -9.362  -9.362
  676    HD1  PHE 149           HD1      PHE 149  -2.606  -7.536  -7.536
  677    HD2  PHE 149           HD2      PHE 149  -2.183 -11.273 -11.273
  678    HE1  PHE 149           HE1      PHE 149  -2.699  -8.697  -8.697
  679    HE2  PHE 149           HE2      PHE 149  -2.276 -12.439 -12.439
  680    HZ   PHE 149           HZ       PHE 149  -2.536 -11.153 -11.153
  681    H    CYS 150           H        CYS 150  -3.158  -6.124  -6.124
  682    HA   CYS 150           HA       CYS 150  -1.948  -4.467  -4.467
  683   1HB   CYS 150          1HB       CYS 150  -3.136  -2.568  -2.568
  684   2HB   CYS 150          2HB       CYS 150  -2.388  -3.326  -3.326
  685    HG   CYS 150           HG       CYS 150  -4.793  -4.315  -4.315
  686    H    ALA 151           H        ALA 151  -3.324  -3.736  -3.736
  687    HA   ALA 151           HA       ALA 151  -6.032  -4.437  -4.437
  688   1HB   ALA 151          2HB       ALA 151  -4.102  -6.524  -6.524
  689   2HB   ALA 151          1HB       ALA 151  -5.331  -6.185  -6.185
  690   3HB   ALA 151          3HB       ALA 151  -5.812  -6.648  -6.648
  691    HA   PRO 152           HA       PRO 152  -4.732  -1.350  -1.350
  692   1HB   PRO 152          2HB       PRO 152  -7.211  -0.267  -0.267
  693   2HB   PRO 152          1HB       PRO 152  -6.120   0.175   0.175
  694   1HG   PRO 152          2HG       PRO 152  -8.418  -1.746  -1.746
  695   2HG   PRO 152          1HG       PRO 152  -7.979  -0.525  -0.525
  696   1HD   PRO 152          2HD       PRO 152  -7.389  -3.137  -3.137
  697   2HD   PRO 152          1HD       PRO 152  -6.322  -1.850  -1.850
  698    H    ASP 153           H        ASP 153  -5.248  -1.039  -1.039
  699    HA   ASP 153           HA       ASP 153  -5.643  -3.269  -3.269
  700   1HB   ASP 153          1HB       ASP 153  -6.502  -1.582  -1.582
  701   2HB   ASP 153          2HB       ASP 153  -4.852  -1.442  -1.442
  702    H    ARG 154           H        ARG 154  -8.184  -0.819  -0.819
  703    HA   ARG 154           HA       ARG 154 -10.209  -2.665  -2.665
  704   1HB   ARG 154          1HB       ARG 154  -9.613  -2.827  -2.827
  705   2HB   ARG 154          2HB       ARG 154 -10.876  -1.604  -1.604
  706   1HG   ARG 154          1HG       ARG 154 -12.361  -3.244  -3.244
  707   2HG   ARG 154          2HG       ARG 154 -11.833  -3.616  -3.616
  708   1HD   ARG 154          1HD       ARG 154  -9.927  -4.752  -4.752
  709   2HD   ARG 154          2HD       ARG 154 -11.507  -5.147  -5.147
  710    HE   ARG 154           HE       ARG 154 -10.359  -6.169  -6.169
  711   1HH1  ARG 154          1HH1      ARG 154 -13.335  -5.471  -5.471
  712   2HH1  ARG 154          2HH1      ARG 154 -14.257  -6.641  -6.641
  713   1HH2  ARG 154          2HH2      ARG 154 -11.563  -7.711  -7.711
  714   2HH2  ARG 154          1HH2      ARG 154 -13.249  -7.913  -7.913
  715    H    ASN 155           H        ASN 155  -9.249  -0.087  -0.087
  716    HA   ASN 155           HA       ASN 155  -9.921   2.056   2.056
  717   1HB   ASN 155          1HB       ASN 155 -12.543   0.575   0.575
  718   2HB   ASN 155          2HB       ASN 155 -12.146   2.121   2.121
  719   1HD2  ASN 155          1HD2      ASN 155 -10.981  -1.347  -1.347
  720   2HD2  ASN 155          2HD2      ASN 155 -11.859  -1.277  -1.277
  721    H    HIS 156           H        HIS 156 -10.037   1.431   1.431
  722    HA   HIS 156           HA       HIS 156 -12.341   3.046   3.046
  723   1HB   HIS 156          1HB       HIS 156 -11.904   0.739   0.739
  724   2HB   HIS 156          2HB       HIS 156 -10.528   1.478   1.478
  725    HD1  HIS 156           HD1      HIS 156 -14.254   1.294   1.294
  726    HD2  HIS 156           HD2      HIS 156 -11.168   3.314   3.314
  727    HE1  HIS 156           HE1      HIS 156 -15.269   2.350   2.350
  728    H    GLU 157           H        GLU 157  -9.567   3.893   3.893
  729    HA   GLU 157           HA       GLU 157  -9.430   6.232   6.232
  730   1HB   GLU 157          2HB       GLU 157  -7.746   4.014   4.014
  731   2HB   GLU 157          1HB       GLU 157  -6.791   5.427   5.427
  732   1HG   GLU 157          1HG       GLU 157  -7.923   6.773   6.773
  733   2HG   GLU 157          2HG       GLU 157  -9.100   5.501   5.501
  734    H    ARG 158           H        ARG 158  -9.541   5.372   5.372
  735    HA   ARG 158           HA       ARG 158  -8.654   5.918   5.918
  736   1HB   ARG 158          1HB       ARG 158  -7.571   8.143   8.143
  737   2HB   ARG 158          2HB       ARG 158  -7.468   8.141   8.141
  738   1HG   ARG 158          2HG       ARG 158  -9.368   9.350   9.350
  739   2HG   ARG 158          1HG       ARG 158 -10.083   7.736   7.736
  740   1HD   ARG 158          1HD       ARG 158  -9.368   8.194   8.194
  741   2HD   ARG 158          2HD       ARG 158 -10.015   9.738   9.738
  742    HE   ARG 158           HE       ARG 158 -11.468   7.277   7.277
  743   1HH1  ARG 158          1HH1      ARG 158 -11.421  10.394  10.394
  744   2HH1  ARG 158          2HH1      ARG 158 -13.140  10.468  10.468
  745   1HH2  ARG 158          1HH2      ARG 158 -13.735   7.365   7.365
  746   2HH2  ARG 158          2HH2      ARG 158 -14.456   8.746   8.746
  747    H    GLY 159           H        GLY 159  -7.053   4.151   4.151
  748   1HA   GLY 159          1HA       GLY 159  -4.358   4.741   4.741
  749   2HA   GLY 159          2HA       GLY 159  -4.681   3.805   3.805
  750    H    PHE 160           H        PHE 160  -3.071   3.034   3.034
  751    HA   PHE 160           HA       PHE 160  -4.470   0.552   0.552
  752   1HB   PHE 160          2HB       PHE 160  -2.798   1.660   1.660
  753   2HB   PHE 160          1HB       PHE 160  -4.289   0.736   0.736
  754    HD1  PHE 160           HD1      PHE 160  -6.436   2.028   2.028
  755    HD2  PHE 160           HD2      PHE 160  -2.842   3.877   3.877
  756    HE1  PHE 160           HE1      PHE 160  -7.685   4.085   4.085
  757    HE2  PHE 160           HE2      PHE 160  -4.085   5.939   5.939
  758    HZ   PHE 160           HZ       PHE 160  -6.511   6.045   6.045
  759    H    SER 161           H        SER 161  -2.671  -0.802  -0.802
  760    HA   SER 161           HA       SER 161   0.026  -0.520  -0.520
  761   1HB   SER 161          2HB       SER 161  -0.816  -0.981  -0.981
  762   2HB   SER 161          1HB       SER 161  -1.479  -2.513  -2.513
  763    HG   SER 161           HG       SER 161   0.577  -2.769  -2.769
  764    H    TYR 162           H        TYR 162   1.263  -1.851  -1.851
  765    HA   TYR 162           HA       TYR 162  -0.103  -3.962  -3.962
  766   1HB   TYR 162          2HB       TYR 162   2.508  -2.559  -2.559
  767   2HB   TYR 162          1HB       TYR 162   1.689  -3.734  -3.734
  768    HD1  TYR 162           HD1      TYR 162  -0.813  -3.077  -3.077
  769    HD2  TYR 162           HD2      TYR 162   2.208  -0.323  -0.323
  770    HE1  TYR 162           HE1      TYR 162  -2.055  -1.263  -1.263
  771    HE2  TYR 162           HE2      TYR 162   0.977   1.502   1.502
  772    HH   TYR 162           HH2      TYR 162  -2.026   1.534   1.534
  773    H    ILE 163           H        ILE 163   1.967  -5.503  -5.503
  774    HA   ILE 163           HA       ILE 163   3.760  -6.207  -6.207
  775    HB   ILE 163           HB       ILE 163   2.701  -8.624  -8.624
  776   1HG1  ILE 163          1HG1      ILE 163   0.190  -6.964  -6.964
  777   2HG1  ILE 163          2HG1      ILE 163   0.837  -7.786  -7.786
  778   1HG2  ILE 163          3HG2      ILE 163   2.737  -6.394  -6.394
  779   2HG2  ILE 163          2HG2      ILE 163   1.130  -7.104  -7.104
  780   3HG2  ILE 163          1HG2      ILE 163   2.559  -8.092  -8.092
  781   1HD1  ILE 163          1HD1      ILE 163   0.740  -9.665  -9.665
  782   2HD1  ILE 163          3HD1      ILE 163  -0.809  -8.823  -8.823
  783   3HD1  ILE 163          2HD1      ILE 163  -0.197  -9.634  -9.634
  784    H    CYS 164           H        CYS 164   5.362  -7.585  -7.585
  785    HA   CYS 164           HA       CYS 164   5.107  -8.808  -8.808
  786   1HB   CYS 164          1HB       CYS 164   7.468  -8.138  -8.138
  787   2HB   CYS 164          2HB       CYS 164   6.355  -6.778  -6.778
  788    HG   CYS 164           HG       CYS 164   7.743  -5.835  -5.835
  789    H    ARG 165           H        ARG 165   6.142 -10.770 -10.770
  790    HA   ARG 165           HA       ARG 165   7.233 -11.921 -11.921
  791   1HB   ARG 165          2HB       ARG 165   6.687 -14.128 -14.128
  792   2HB   ARG 165          1HB       ARG 165   5.333 -13.162 -13.162
  793   1HG   ARG 165          2HG       ARG 165   4.818 -12.420 -12.420
  794   2HG   ARG 165          1HG       ARG 165   6.337 -13.047 -13.047
  795   1HD   ARG 165          2HD       ARG 165   5.297 -15.302 -15.302
  796   2HD   ARG 165          1HD       ARG 165   3.814 -14.444 -14.444
  797    HE   ARG 165           HE       ARG 165   5.433 -14.267 -14.267
  798   1HH1  ARG 165          1HH1      ARG 165   4.016 -16.820 -16.820
  799   2HH1  ARG 165          2HH1      ARG 165   3.898 -17.922 -17.922
  800   1HH2  ARG 165          1HH2      ARG 165   5.282 -15.711 -15.711
  801   2HH2  ARG 165          2HH2      ARG 165   4.619 -17.293 -17.293
  802    H    ASP 166           H        ASP 166   9.358 -11.099 -11.099
  803    HA   ASP 166           HA       ASP 166  11.468 -11.101 -11.101
  804   1HB   ASP 166          1HB       ASP 166  12.455 -13.284 -13.284
  805   2HB   ASP 166          2HB       ASP 166  11.239 -13.330 -13.330
  806    H    GLY 167           H        GLY 167  12.666 -12.723 -12.723
  807   1HA   GLY 167          1HA       GLY 167  12.739 -13.132 -13.132
  808   2HA   GLY 167          2HA       GLY 167  11.110 -12.489 -12.489
  809    H    THR 168           H        THR 168  11.041 -10.025 -10.025
  810    HA   THR 168           HA       THR 168  13.118  -8.771  -8.771
  811    HB   THR 168           HB       THR 168  11.142  -6.876  -6.876
  812    HG1  THR 168          1HG       THR 168   9.834  -8.526  -8.526
  813   1HG2  THR 168          1HG2      THR 168  12.153  -8.423  -8.423
  814   2HG2  THR 168          3HG2      THR 168  10.394  -8.375  -8.375
  815   3HG2  THR 168          2HG2      THR 168  11.314  -6.872  -6.872
  816    H    THR 169           H        THR 169  11.329  -8.336  -8.336
  817    HA   THR 169           HA       THR 169  13.035  -6.127  -6.127
  818    HB   THR 169           HB       THR 169  10.761  -7.508  -7.508
  819    HG1  THR 169          1HG       THR 169  10.366  -6.145  -6.145
  820   1HG2  THR 169          2HG2      THR 169  12.515  -6.344  -6.344
  821   2HG2  THR 169          1HG2      THR 169  11.862  -4.853  -4.853
  822   3HG2  THR 169          3HG2      THR 169  10.810  -5.946  -5.946
  823    H    ARG 170           H        ARG 170  12.059  -8.658  -8.658
  824    HA   ARG 170           HA       ARG 170  14.727  -9.747  -9.747
  825   1HB   ARG 170          1HB       ARG 170  13.568  -7.908  -7.908
  826   2HB   ARG 170          2HB       ARG 170  14.579  -9.246  -9.246
  827   1HG   ARG 170          1HG       ARG 170  15.429  -7.176  -7.176
  828   2HG   ARG 170          2HG       ARG 170  15.786  -7.097  -7.097
  829   1HD   ARG 170          2HD       ARG 170  16.656  -9.254  -9.254
  830   2HD   ARG 170          1HD       ARG 170  17.680  -8.012  -8.012
  831    HE   ARG 170           HE       ARG 170  16.652  -9.265  -9.265
  832   1HH1  ARG 170          1HH1      ARG 170  18.260 -10.407 -10.407
  833   2HH1  ARG 170          2HH1      ARG 170  18.959 -11.785 -11.785
  834   1HH2  ARG 170          1HH2      ARG 170  17.567 -11.074 -11.074
  835   2HH2  ARG 170          2HH2      ARG 170  18.566 -12.164 -12.164
  836    H    ARG 171           H        ARG 171  12.241  -9.524  -9.524
  837    HA   ARG 171           HA       ARG 171  11.533 -12.339 -12.339
  838   1HB   ARG 171          2HB       ARG 171  11.537 -12.801 -12.801
  839   2HB   ARG 171          1HB       ARG 171  13.068 -12.018 -12.018
  840   1HG   ARG 171          2HG       ARG 171  12.477 -10.066 -10.066
  841   2HG   ARG 171          1HG       ARG 171  10.749 -10.398 -10.398
  842   1HD   ARG 171          1HD       ARG 171  11.713 -10.670 -10.670
  843   2HD   ARG 171          2HD       ARG 171  10.864 -12.084 -12.084
  844    HE   ARG 171           HE       ARG 171  13.506 -12.447 -12.447
  845   1HH1  ARG 171          2HH2      ARG 171  11.692 -11.998 -11.998
  846   2HH1  ARG 171          1HH2      ARG 171  12.788 -12.925 -12.925
  847   1HH2  ARG 171          2HH1      ARG 171  14.954 -13.670 -13.670
  848   2HH2  ARG 171          1HH1      ARG 171  14.643 -13.876 -13.876
  849    H    TRP 172           H        TRP 172   9.642 -12.220 -12.220
  850    HA   TRP 172           HA       TRP 172   7.388 -11.160 -11.160
  851   1HB   TRP 172          1HB       TRP 172   7.440 -11.751 -11.751
  852   2HB   TRP 172          2HB       TRP 172   6.104 -11.931 -11.931
  853    HD1  TRP 172           HD1      TRP 172   8.675 -13.895 -13.895
  854    HE1  TRP 172           HE1      TRP 172   8.827 -16.264 -16.264
  855    HE3  TRP 172           HE3      TRP 172   5.967 -13.191 -13.191
  856    HZ2  TRP 172          2HZ       TRP 172   7.926 -17.659 -17.659
  857    HZ3  TRP 172           HZ3      TRP 172   5.659 -15.096 -15.096
  858    HH2  TRP 172           HH2      TRP 172   6.620 -17.284 -17.284
  859    H    MET 173           H        MET 173   8.440  -9.009  -9.009
  860    HA   MET 173           HA       MET 173   8.541  -7.291  -7.291
  861   1HB   MET 173          1HB       MET 173   9.083  -6.716  -6.716
  862   2HB   MET 173          2HB       MET 173   9.327  -5.572  -5.572
  863   1HG   MET 173          1HG       MET 173  10.675  -8.117  -8.117
  864   2HG   MET 173          2HG       MET 173  11.207  -7.276  -7.276
  865   1HE   MET 173          2HE       MET 173   9.986  -6.366  -6.366
  866   2HE   MET 173          1HE       MET 173  11.096  -5.098  -5.098
  867   3HE   MET 173          3HE       MET 173   9.922  -4.775  -4.775
  868    H    CYS 174           H        CYS 174   6.837  -6.234  -6.234
  869    HA   CYS 174           HA       CYS 174   4.513  -5.888  -5.888
  870   1HB   CYS 174          2HB       CYS 174   5.020  -5.632  -5.632
  871   2HB   CYS 174          1HB       CYS 174   3.607  -4.864  -4.864
  872    HG   CYS 174           HG       CYS 174   2.488  -7.041  -7.041
  873    H    HIS 175           H        HIS 175   3.437  -3.797  -3.797
  874    HA   HIS 175           HA       HIS 175   5.241  -1.512  -1.512
  875   1HB   HIS 175          2HB       HIS 175   3.620  -2.001  -2.001
  876   2HB   HIS 175          1HB       HIS 175   4.766  -0.697  -0.697
  877    HD1  HIS 175           HD1      HIS 175   7.312  -1.304  -1.304
  878    HD2  HIS 175           HD2      HIS 175   4.715  -4.430  -4.430
  879    HE1  HIS 175           HE1      HIS 175   8.714  -3.116  -3.116
  880    H    GLY 176           H        GLY 176   4.111  -0.519  -0.519
  881   1HA   GLY 176          1HA       GLY 176   1.234  -0.089  -0.089
  882   2HA   GLY 176          2HA       GLY 176   2.164   0.246   0.246
  883    H    PHE 177           H        PHE 177   0.338   1.829   1.829
  884    HA   PHE 177           HA       PHE 177   1.835   4.283   4.283
  885   1HB   PHE 177          1HB       PHE 177   1.767   4.905   4.905
  886   2HB   PHE 177          2HB       PHE 177   2.653   3.396   3.396
  887    HD1  PHE 177           HD1      PHE 177   0.913   1.268   1.268
  888    HD2  PHE 177           HD2      PHE 177   0.477   5.013   5.013
  889    HE1  PHE 177           HE1      PHE 177  -0.542   0.212   0.212
  890    HE2  PHE 177           HE2      PHE 177  -0.979   3.966   3.966
  891    HZ   PHE 177           HZ       PHE 177  -1.491   1.561   1.561
  892    H    LEU 178           H        LEU 178   0.582   6.143   6.143
  893    HA   LEU 178           HA       LEU 178  -2.324   5.682   5.682
  894   1HB   LEU 178          1HB       LEU 178  -1.764   6.180   6.180
  895   2HB   LEU 178          2HB       LEU 178  -0.730   7.512   7.512
  896    HG   LEU 178           HG       LEU 178  -2.981   8.496   8.496
  897   1HD1  LEU 178          1HD2      LEU 178  -3.995   6.175   6.175
  898   2HD1  LEU 178          3HD2      LEU 178  -4.253   7.229   7.229
  899   3HD1  LEU 178          2HD2      LEU 178  -4.926   7.662   7.662
  900   1HD2  LEU 178          2HD1      LEU 178  -1.732   8.581   8.581
  901   2HD2  LEU 178          1HD1      LEU 178  -2.141   9.890   9.890
  902   3HD2  LEU 178          3HD1      LEU 178  -3.388   9.184   9.184
  903    H    ALA 179           H        ALA 179  -3.458   6.927   6.927
  904    HA   ALA 179           HA       ALA 179  -2.300   8.307   8.307
  905   1HB   ALA 179          1HB       ALA 179  -4.713   7.540   7.540
  906   2HB   ALA 179          3HB       ALA 179  -4.996   9.071   9.071
  907   3HB   ALA 179          2HB       ALA 179  -4.437   9.064   9.064
  908    H    CYS 180           H        CYS 180  -1.720  10.388  10.388
  909    HA   CYS 180           HA       CYS 180  -0.785  12.017  12.017
  910   1HB   CYS 180          2HB       CYS 180  -0.792  12.058  12.058
  911   2HB   CYS 180          1HB       CYS 180  -1.397  13.622  13.622
  912    HG   CYS 180           HG       CYS 180   0.831  14.170  14.170
  913    H    LYS 181           H        LYS 181  -3.559  12.677  12.677
  914    HA   LYS 181           HA       LYS 181  -4.548  14.799  14.799
  915   1HB   LYS 181          1HB       LYS 181  -6.108  13.162  13.162
  916   2HB   LYS 181          2HB       LYS 181  -6.451  14.802  14.802
  917   1HG   LYS 181          1HG       LYS 181  -3.904  14.099  14.099
  918   2HG   LYS 181          2HG       LYS 181  -5.384  14.505  14.505
  919   1HD   LYS 181          2HD       LYS 181  -4.984  16.459  16.459
  920   2HD   LYS 181          1HD       LYS 181  -3.467  16.257  16.257
  921   1HE   LYS 181          1HE       LYS 181  -6.137  16.698  16.698
  922   2HE   LYS 181          2HE       LYS 181  -5.001  17.993  17.993
  923   1HZ   LYS 181          2HZ       LYS 181  -3.343  16.762  16.762
  924   2HZ   LYS 181          1HZ       LYS 181  -4.586  15.726  15.726
  925   3HZ   LYS 181          3HZ       LYS 181  -4.657  17.372  17.372
  926    H    ASP 182           H        ASP 182  -5.124  11.351  11.351
  927    HA   ASP 182           HA       ASP 182  -6.168   9.935   9.935
  928   1HB   ASP 182          1HB       ASP 182  -5.018  11.341  11.341
  929   2HB   ASP 182          2HB       ASP 182  -6.465  12.340  12.340
  930    H    SER 183           H        SER 183  -7.833  10.035  10.035
  931    HA   SER 183           HA       SER 183 -10.413  10.480  10.480
  932   1HB   SER 183          2HB       SER 183  -9.264  12.516  12.516
  933   2HB   SER 183          1HB       SER 183 -10.727  11.855  11.855
  934    HG   SER 183           HG       SER 183 -11.898  12.665  12.665
  935    H    GLY 184           H        GLY 184  -8.738   8.354   8.354
  936   1HA   GLY 184          2HA       GLY 184  -8.937   6.690   6.690
  937   2HA   GLY 184          1HA       GLY 184 -10.609   6.721   6.721
  938    H    GLU 185           H        GLU 185  -9.103   9.394   9.394
  939    HA   GLU 185           HA       GLU 185 -10.540   8.678   8.678
  940   1HB   GLU 185          2HB       GLU 185 -10.820  11.179  11.179
  941   2HB   GLU 185          1HB       GLU 185 -11.072  11.235  11.235
  942   1HG   GLU 185          2HG       GLU 185 -13.131  10.478  10.478
  943   2HG   GLU 185          1HG       GLU 185 -12.536   9.039   9.039
  944    H    ARG 186           H        ARG 186  -7.791   8.396   8.396
  945    HA   ARG 186           HA       ARG 186  -6.779  10.120  10.120
  946   1HB   ARG 186          2HB       ARG 186  -5.609  10.155  10.155
  947   2HB   ARG 186          1HB       ARG 186  -4.766  10.765  10.765
  948   1HG   ARG 186          2HG       ARG 186  -7.429  11.791  11.791
  949   2HG   ARG 186          1HG       ARG 186  -5.873  12.516  12.516
  950   1HD   ARG 186          2HD       ARG 186  -5.753  13.565  13.565
  951   2HD   ARG 186          1HD       ARG 186  -6.121  12.086  12.086
  952    HE   ARG 186           HE       ARG 186  -8.203  12.928  12.928
  953   1HH1  ARG 186          2HH1      ARG 186  -6.945  14.264  14.264
  954   2HH1  ARG 186          1HH1      ARG 186  -8.343  15.236  15.236
  955   1HH2  ARG 186          2HH2      ARG 186 -10.049  14.207  14.207
  956   2HH2  ARG 186          1HH2      ARG 186 -10.108  15.204  15.204
  957    H    LEU 187           H        LEU 187  -6.014   7.672   7.672
  958    HA   LEU 187           HA       LEU 187  -4.257   6.351   6.351
  959   1HB   LEU 187          1HB       LEU 187  -4.172   6.506   6.506
  960   2HB   LEU 187          2HB       LEU 187  -3.410   5.167   5.167
  961    HG   LEU 187           HG       LEU 187  -1.942   6.706   6.706
  962   1HD1  LEU 187          1HD1      LEU 187  -3.492   8.827   8.827
  963   2HD1  LEU 187          3HD1      LEU 187  -1.928   9.114   9.114
  964   3HD1  LEU 187          2HD1      LEU 187  -3.312   8.626   8.626
  965   1HD2  LEU 187          3HD2      LEU 187  -1.589   5.901   5.901
  966   2HD2  LEU 187          2HD2      LEU 187  -0.489   7.067   7.067
  967   3HD2  LEU 187          1HD2      LEU 187  -1.759   7.620   7.620
  968    H    SER 188           H        SER 188  -6.675   5.798   5.798
  969    HA   SER 188           HA       SER 188  -6.928   3.038   3.038
  970   1HB   SER 188          2HB       SER 188  -7.969   4.454   4.454
  971   2HB   SER 188          1HB       SER 188  -9.174   4.975   4.975
  972    HG   SER 188           HG       SER 188  -9.692   2.707   2.707
  973    H    HIS 189           H        HIS 189  -9.077   5.490   5.490
  974    HA   HIS 189           HA       HIS 189 -10.385   3.637   3.637
  975   1HB   HIS 189          1HB       HIS 189 -10.939   6.158   6.158
  976   2HB   HIS 189          2HB       HIS 189 -10.316   6.485   6.485
  977    HD1  HIS 189           HD1      HIS 189 -13.221   7.113   7.113
  978    HD2  HIS 189           HD2      HIS 189 -11.885   3.348   3.348
  979    HE1  HIS 189           HE1      HIS 189 -15.182   5.971   5.971
  980    H    ALA 190           H        ALA 190  -7.386   5.307   5.307
  981    HA   ALA 190           HA       ALA 190  -7.264   5.105   5.105
  982   1HB   ALA 190          1HB       ALA 190  -6.026   6.732   6.732
  983   2HB   ALA 190          3HB       ALA 190  -4.741   5.607   5.607
  984   3HB   ALA 190          2HB       ALA 190  -5.563   6.543   6.543
  985    H    VAL 191           H        VAL 191  -5.253   3.751   3.751
  986    HA   VAL 191           HA       VAL 191  -4.010   1.836   1.836
  987    HB   VAL 191           HB       VAL 191  -4.261   1.373   1.373
  988   1HG1  VAL 191          2HG2      VAL 191  -2.900   0.078   0.078
  989   2HG1  VAL 191          1HG2      VAL 191  -1.677   1.220   1.220
  990   3HG1  VAL 191          3HG2      VAL 191  -2.424   0.103   0.103
  991   1HG2  VAL 191          2HG1      VAL 191  -3.293   3.808   3.808
  992   2HG2  VAL 191          1HG1      VAL 191  -3.460   3.383   3.383
  993   3HG2  VAL 191          3HG1      VAL 191  -1.989   2.959   2.959
  994    H    GLY 192           H        GLY 192  -6.935   1.818   1.818
  995   1HA   GLY 192          1HA       GLY 192  -7.462  -0.898  -0.898
  996   2HA   GLY 192          2HA       GLY 192  -8.698   0.338   0.338
  997    H    CYS 193           H        CYS 193  -7.469   1.148   1.148
  998    HA   CYS 193           HA       CYS 193  -8.681  -0.952  -0.952
  999   1HB   CYS 193          2HB       CYS 193  -9.610   1.267   1.267
 1000   2HB   CYS 193          1HB       CYS 193  -8.005   1.936   1.936
 1001    HG   CYS 193           HG       CYS 193  -7.948   0.569   0.569
 1002    H    ALA 194           H        ALA 194  -5.675   0.557   0.557
 1003    HA   ALA 194           HA       ALA 194  -4.116   0.176   0.176
 1004   1HB   ALA 194          2HB       ALA 194  -3.559   0.137   0.137
 1005   2HB   ALA 194          1HB       ALA 194  -2.289  -0.386  -0.386
 1006   3HB   ALA 194          3HB       ALA 194  -2.974   1.232   1.232
 1007    H    PHE 195           H        PHE 195  -5.393  -2.228  -2.228
 1008    HA   PHE 195           HA       PHE 195  -3.682  -4.326  -4.326
 1009   1HB   PHE 195          1HB       PHE 195  -5.928  -4.230  -4.230
 1010   2HB   PHE 195          2HB       PHE 195  -5.275  -5.765  -5.765
 1011    HD1  PHE 195           HD1      PHE 195  -4.428  -2.622  -2.622
 1012    HD2  PHE 195           HD2      PHE 195  -3.220  -6.593  -6.593
 1013    HE1  PHE 195           HE1      PHE 195  -2.608  -2.453  -2.453
 1014    HE2  PHE 195           HE2      PHE 195  -1.399  -6.431  -6.431
 1015    HZ   PHE 195           HZ       PHE 195  -1.090  -4.360  -4.360
 1016    H    ALA 196           H        ALA 196  -6.754  -2.957  -2.957
 1017    HA   ALA 196           HA       ALA 196  -8.023  -5.146  -5.146
 1018   1HB   ALA 196          3HB       ALA 196  -8.521  -2.385  -2.385
 1019   2HB   ALA 196          2HB       ALA 196  -8.652  -2.759  -2.759
 1020   3HB   ALA 196          1HB       ALA 196  -9.631  -3.642  -3.642
 1021    H    VAL 197           H        VAL 197  -5.922  -2.641  -2.641
 1022    HA   VAL 197           HA       VAL 197  -5.953  -3.491  -3.491
 1023    HB   VAL 197           HB       VAL 197  -3.710  -2.185  -2.185
 1024   1HG1  VAL 197          1HG2      VAL 197  -4.017  -2.761  -2.761
 1025   2HG1  VAL 197          3HG2      VAL 197  -3.042  -1.407  -1.407
 1026   3HG1  VAL 197          2HG2      VAL 197  -2.631  -3.055  -3.055
 1027   1HG2  VAL 197          3HG1      VAL 197  -6.179  -1.221  -1.221
 1028   2HG2  VAL 197          2HG1      VAL 197  -5.196  -0.501  -0.501
 1029   3HG2  VAL 197          1HG1      VAL 197  -4.731  -0.301  -0.301
 1030    H    CYS 198           H        CYS 198  -3.993  -4.586  -4.586
 1031    HA   CYS 198           HA       CYS 198  -2.176  -6.197  -6.197
 1032   1HB   CYS 198          1HB       CYS 198  -1.853  -5.705  -5.705
 1033   2HB   CYS 198          2HB       CYS 198  -3.367  -6.495  -6.495
 1034    HG   CYS 198           HG       CYS 198  -1.620  -8.553  -8.553
 1035    H    LEU 199           H        LEU 199  -5.339  -7.050  -7.050
 1036    HA   LEU 199           HA       LEU 199  -5.407  -9.371  -9.371
 1037   1HB   LEU 199          1HB       LEU 199  -6.458 -10.699 -10.699
 1038   2HB   LEU 199          2HB       LEU 199  -4.912 -10.102 -10.102
 1039    HG   LEU 199           HG       LEU 199  -7.359  -8.546  -8.546
 1040   1HD1  LEU 199          3HD2      LEU 199  -6.524 -11.095 -11.095
 1041   2HD1  LEU 199          2HD2      LEU 199  -7.736  -9.954  -9.954
 1042   3HD1  LEU 199          1HD2      LEU 199  -8.010 -10.842 -10.842
 1043   1HD2  LEU 199          1HD1      LEU 199  -4.849  -8.040  -8.040
 1044   2HD2  LEU 199          3HD1      LEU 199  -6.095  -7.760  -7.760
 1045   3HD2  LEU 199          2HD1      LEU 199  -5.098  -9.214  -9.214
 1046    H    GLU 200           H        GLU 200  -6.489  -7.235  -7.235
 1047    HA   GLU 200           HA       GLU 200  -8.928  -6.265  -6.265
 1048   1HB   GLU 200          2HB       GLU 200  -7.500  -5.658  -5.658
 1049   2HB   GLU 200          1HB       GLU 200  -8.248  -7.012  -7.012
 1050   1HG   GLU 200          2HG       GLU 200 -10.414  -6.002  -6.002
 1051   2HG   GLU 200          1HG       GLU 200  -9.772  -4.708  -4.708
 1052    H    ARG 201           H        ARG 201  -8.254  -9.456  -9.456
 1053    HA   ARG 201           HA       ARG 201 -11.107 -10.007 -10.007
 1054   1HB   ARG 201          1HB       ARG 201  -8.693 -11.019 -11.019
 1055   2HB   ARG 201          2HB       ARG 201  -9.588 -12.348 -12.348
 1056   1HG   ARG 201          2HG       ARG 201 -11.491 -11.925 -11.925
 1057   2HG   ARG 201          1HG       ARG 201 -10.862 -10.363 -10.363
 1058   1HD   ARG 201          1HD       ARG 201 -10.581 -11.914 -11.914
 1059   2HD   ARG 201          2HD       ARG 201  -8.989 -11.573 -11.573
 1060    HE   ARG 201           HE       ARG 201 -10.198 -13.890 -13.890
 1061   1HH1  ARG 201          2HH1      ARG 201  -8.405 -12.714 -12.714
 1062   2HH1  ARG 201          1HH1      ARG 201  -7.709 -14.256 -14.256
 1063   1HH2  ARG 201          1HH2      ARG 201  -9.287 -15.926 -15.926
 1064   2HH2  ARG 201          2HH2      ARG 201  -8.210 -16.083 -16.083
 1065    H    LYS 202           H        LYS 202  -9.977  -9.524  -9.524
 1066    HA   LYS 202           HA       LYS 202  -9.896 -10.406 -10.406
 1067   1HB   LYS 202          2HB       LYS 202 -12.312 -11.313 -11.313
 1068   2HB   LYS 202          1HB       LYS 202 -11.797 -12.461 -12.461
 1069   1HG   LYS 202          1HG       LYS 202 -13.361 -10.836 -10.836
 1070   2HG   LYS 202          2HG       LYS 202 -11.777 -10.689 -10.689
 1071   1HD   LYS 202          1HD       LYS 202 -11.252  -8.751  -8.751
 1072   2HD   LYS 202          2HD       LYS 202 -12.683  -8.969  -8.969
 1073   1HE   LYS 202          1HE       LYS 202 -13.958  -8.775  -8.775
 1074   2HE   LYS 202          2HE       LYS 202 -12.476  -7.990  -7.990
 1075   1HZ   LYS 202          2HZ       LYS 202 -12.754  -6.542  -6.542
 1076   2HZ   LYS 202          1HZ       LYS 202 -14.342  -7.125  -7.125
 1077   3HZ   LYS 202          3HZ       LYS 202 -13.811  -6.262  -6.262
 1078    H    GLN 203           H        GLN 203  -8.033 -11.561 -11.561
 1079    HA   GLN 203           HA       GLN 203  -7.968 -14.391 -14.391
 1080   1HB   GLN 203          1HB       GLN 203  -5.876 -12.352 -12.352
 1081   2HB   GLN 203          2HB       GLN 203  -5.526 -14.074 -14.074
 1082   1HG   GLN 203          2HG       GLN 203  -6.696 -14.539 -14.539
 1083   2HG   GLN 203          1HG       GLN 203  -7.862 -13.244 -13.244
 1084   1HE2  GLN 203          2HE2      GLN 203  -4.893 -12.723 -12.723
 1085   2HE2  GLN 203          1HE2      GLN 203  -5.389 -14.243 -14.243
 1086    H    ARG 204           H        ARG 204  -8.514 -14.105 -14.105
 1087    HA   ARG 204           HA       ARG 204  -5.981 -14.189 -14.189
 1088   1HB   ARG 204          2HB       ARG 204  -7.761 -12.205 -12.205
 1089   2HB   ARG 204          1HB       ARG 204  -8.442 -13.384 -13.384
 1090   1HG   ARG 204          1HG       ARG 204  -6.991 -12.700 -12.700
 1091   2HG   ARG 204          2HG       ARG 204  -5.696 -13.363 -13.363
 1092   1HD   ARG 204          1HD       ARG 204  -6.712 -10.721 -10.721
 1093   2HD   ARG 204          2HD       ARG 204  -5.860 -10.771 -10.771
 1094    HE   ARG 204           HE       ARG 204  -4.716 -11.045 -11.045
 1095   1HH1  ARG 204          1HH2      ARG 204  -4.368 -11.934 -11.934
 1096   2HH1  ARG 204          2HH2      ARG 204  -2.656 -12.168 -12.168
 1097   1HH2  ARG 204          1HH1      ARG 204  -2.459 -11.349 -11.349
 1098   2HH2  ARG 204          2HH1      ARG 204  -1.570 -11.834 -11.834
 1099    H    ARG 205           H        ARG 205  -7.030 -16.467 -16.467
 1100    HA   ARG 205           HA       ARG 205  -7.759 -18.576 -18.576
 1101   1HB   ARG 205          2HB       ARG 205  -5.826 -18.167 -18.167
 1102   2HB   ARG 205          1HB       ARG 205  -7.081 -18.000 -18.000
 1103   1HG   ARG 205          2HG       ARG 205  -7.669 -20.362 -20.362
 1104   2HG   ARG 205          1HG       ARG 205  -5.927 -20.375 -20.375
 1105   1HD   ARG 205          1HD       ARG 205  -8.154 -20.218 -20.218
 1106   2HD   ARG 205          2HD       ARG 205  -6.846 -21.395 -21.395
 1107    HE   ARG 205           HE       ARG 205  -5.776 -18.823 -18.823
 1108   1HH1  ARG 205          2HH1      ARG 205  -7.550 -21.323 -21.323
 1109   2HH1  ARG 205          1HH1      ARG 205  -6.954 -20.891 -20.891
 1110   1HH2  ARG 205          1HH2      ARG 205  -4.984 -18.245 -18.245
 1111   2HH2  ARG 205          2HH2      ARG 205  -5.495 -19.141 -19.141
 1112    H    THR 206           H        THR 206  -9.663 -16.307 -16.307
 1113    HA   THR 206           HA       THR 206 -11.580 -17.602 -17.602
 1114    HB   THR 206           HB       THR 206 -11.162 -15.454 -15.454
 1115    HG1  THR 206          1HG       THR 206 -13.142 -14.572 -14.572
 1116   1HG2  THR 206          2HG2      THR 206 -11.391 -14.374 -14.374
 1117   2HG2  THR 206          1HG2      THR 206 -11.357 -13.378 -13.378
 1118   3HG2  THR 206          3HG2      THR 206  -9.965 -14.378 -14.378
 1119    H    ARG 207           H        ARG 207 -12.800 -18.870 -18.870
 1120    HA   ARG 207           HA       ARG 207 -14.365 -19.471 -19.471
 1121   1HB   ARG 207          1HB       ARG 207 -14.654 -16.547 -16.547
 1122   2HB   ARG 207          2HB       ARG 207 -15.847 -17.823 -17.823
 1123   1HG   ARG 207          1HG       ARG 207 -15.922 -18.048 -18.048
 1124   2HG   ARG 207          2HG       ARG 207 -14.863 -16.641 -16.641
 1125   1HD   ARG 207          2HD       ARG 207 -17.169 -15.965 -15.965
 1126   2HD   ARG 207          1HD       ARG 207 -16.533 -15.311 -15.311
 1127    HE   ARG 207           HE       ARG 207 -17.874 -17.806 -17.806
 1128   1HH1  ARG 207          2HH2      ARG 207 -18.347 -14.379 -14.379
 1129   2HH1  ARG 207          1HH2      ARG 207 -19.857 -14.361 -14.361
 1130   1HH2  ARG 207          2HH1      ARG 207 -19.863 -17.799 -17.799
 1131   2HH2  ARG 207          1HH1      ARG 207 -20.720 -16.307 -16.307
 1132    H    ALA 208           H        ALA 208 -14.160 -20.284 -20.284
 1133    HA   ALA 208           HA       ALA 208 -13.327 -20.696 -20.696
 1134   1HB   ALA 208          3HB       ALA 208 -13.273 -17.707 -17.707
 1135   2HB   ALA 208          2HB       ALA 208 -12.611 -18.575 -18.575
 1136   3HB   ALA 208          1HB       ALA 208 -14.305 -18.782 -18.782
 1137    H    ALA 209           H        ALA 209 -11.581 -21.297 -21.297
 1138    HA   ALA 209           HA       ALA 209  -9.074 -21.160 -21.160
 1139   1HB   ALA 209          3HB       ALA 209  -9.438 -18.898 -18.898
 1140   2HB   ALA 209          2HB       ALA 209  -8.847 -19.888 -19.888
 1141   3HB   ALA 209          1HB       ALA 209  -7.859 -19.676 -19.676
 1142    H    ALA 210           H        ALA 210 -10.846 -23.157 -23.157
 1143    HA   ALA 210           HA       ALA 210  -9.336 -24.281 -24.281
 1144   1HB   ALA 210          2HB       ALA 210 -11.871 -24.037 -24.037
 1145   2HB   ALA 210          1HB       ALA 210 -11.912 -25.371 -25.371
 1146   3HB   ALA 210          3HB       ALA 210 -11.201 -25.605 -25.605
 1147   1H    ALA   1          1HT       ALA   1 -14.786  -6.833  -6.833
 1148   2H    ALA   1          3HT       ALA   1 -14.306  -6.126  -6.126
 1149   3H    ALA   1          2HT       ALA   1 -14.983  -5.148  -5.148
 1150    HA   ALA   1           HA       ALA   1 -12.670  -4.817  -4.817
 1151   1HB   ALA   1          1HB       ALA   1 -12.636  -7.597  -7.597
 1152   2HB   ALA   1          3HB       ALA   1 -11.671  -7.317  -7.317
 1153   3HB   ALA   1          2HB       ALA   1 -11.302  -6.445  -6.445
 1154    H    TYR   2           H        TYR   2 -11.101  -5.863  -5.863
 1155    HA   TYR   2           HA       TYR   2 -12.805  -5.754  -5.754
 1156   1HB   TYR   2          1HB       TYR   2 -10.351  -4.394  -4.394
 1157   2HB   TYR   2          2HB       TYR   2 -11.996  -3.781  -3.781
 1158    HD1  TYR   2           HD1      TYR   2  -9.619  -4.594  -4.594
 1159    HD2  TYR   2           HD2      TYR   2 -12.295  -1.766  -1.766
 1160    HE1  TYR   2           HE1      TYR   2  -9.154  -3.041  -3.041
 1161    HE2  TYR   2           HE2      TYR   2 -11.837  -0.205  -0.205
 1162    HH   TYR   2           HH2      TYR   2 -11.029  -0.256  -0.256
 1163    H    ILE   3           H        ILE   3  -9.282  -5.710  -5.710
 1164    HA   ILE   3           HA       ILE   3  -9.158  -8.431  -8.431
 1165    HB   ILE   3           HB       ILE   3  -7.248  -6.301  -6.301
 1166   1HG1  ILE   3          2HG1      ILE   3  -9.597  -5.663  -5.663
 1167   2HG1  ILE   3          1HG1      ILE   3  -8.578  -5.978  -5.978
 1168   1HG2  ILE   3          3HG2      ILE   3  -7.597  -9.133  -9.133
 1169   2HG2  ILE   3          2HG2      ILE   3  -7.618  -8.238  -8.238
 1170   3HG2  ILE   3          1HG2      ILE   3  -6.244  -8.084  -8.084
 1171   1HD1  ILE   3          3HD1      ILE   3 -10.076  -8.296  -8.296
 1172   2HD1  ILE   3          2HD1      ILE   3 -11.057  -6.977  -6.977
 1173   3HD1  ILE   3          1HD1      ILE   3  -9.816  -7.720  -7.720
 1174    H    GLY   4           H        GLY   4  -7.408  -5.790  -5.790
 1175   1HA   GLY   4          2HA       GLY   4  -5.073  -7.056  -7.056
 1176   2HA   GLY   4          1HA       GLY   4  -5.863  -5.838  -5.838
 1177    HA   PRO   5           HA       PRO   5  -6.748  -8.541  -8.541
 1178   1HB   PRO   5          2HB       PRO   5  -9.654  -8.149  -8.149
 1179   2HB   PRO   5          1HB       PRO   5  -8.787  -8.012  -8.012
 1180   1HG   PRO   5          1HG       PRO   5  -9.513  -5.830  -5.830
 1181   2HG   PRO   5          2HG       PRO   5  -7.943  -5.909  -5.909
 1182   1HD   PRO   5          2HD       PRO   5  -8.575  -6.089  -6.089
 1183   2HD   PRO   5          1HD       PRO   5  -7.150  -5.406  -5.406
 1184   1HN   PTR   6           H        PTR   6  -6.946 -10.701 -10.701
 1185    HA   PTR   6           HA       PTR   6  -7.177 -12.894 -12.894
 1186   1HB   PTR   6          1HB       PTR   6  -9.341 -13.421 -13.421
 1187   2HB   PTR   6          2HB       PTR   6  -9.531 -12.967 -12.967
 1188    HD1  PTR   6           HD1      PTR   6 -10.586 -10.817 -10.817
 1189    HD2  PTR   6           HD2      PTR   6  -9.714 -11.586 -11.586
 1190    HE1  PTR   6           HE1      PTR   6 -12.832 -10.000 -10.000
 1191    HE2  PTR   6           HE2      PTR   6 -11.686 -10.256 -10.256
 1192    H    LEU   7           H        LEU   7  -8.826 -11.712 -11.712
 1193    HA   LEU   7           HA       LEU   7  -7.688 -13.359 -13.359
 1194   1HB   LEU   7          2HB       LEU   7  -8.849 -10.637 -10.637
 1195   2HB   LEU   7          1HB       LEU   7  -7.911 -11.121 -11.121
 1196    HG   LEU   7           HG       LEU   7  -9.380 -12.921 -12.921
 1197   1HD1  LEU   7          3HD1      LEU   7  -9.663 -13.709 -13.709
 1198   2HD1  LEU   7          2HD1      LEU   7 -10.772 -12.371 -12.371
 1199   3HD1  LEU   7          1HD1      LEU   7 -11.192 -13.618 -13.618
 1200   1HD2  LEU   7          2HD2      LEU   7 -10.491 -10.262 -10.262
 1201   2HD2  LEU   7          1HD2      LEU   7 -10.579 -11.280 -11.280
 1202   3HD2  LEU   7          3HD2      LEU   7 -11.698 -11.546 -11.546

  Start of MODEL   10
    1    HA   SER  64           HA       SER  64 -13.153  12.583  12.583
    2   1HB   SER  64          2HB       SER  64 -13.382  12.917  12.917
    3   2HB   SER  64          1HB       SER  64 -15.003  13.422  13.422
    4    HG   SER  64           HG       SER  64 -15.367  11.347  11.347
    5    H    LYS  65           H        LYS  65 -13.367  14.689  14.689
    6    HA   LYS  65           HA       LYS  65 -16.219  14.822  14.822
    7   1HB   LYS  65          1HB       LYS  65 -16.425  17.150  17.150
    8   2HB   LYS  65          2HB       LYS  65 -15.488  16.807  16.807
    9   1HG   LYS  65          1HG       LYS  65 -13.443  17.436  17.436
   10   2HG   LYS  65          2HG       LYS  65 -14.352  17.725  17.725
   11   1HD   LYS  65          1HD       LYS  65 -15.731  19.374  19.374
   12   2HD   LYS  65          2HD       LYS  65 -14.396  19.273  19.273
   13   1HE   LYS  65          2HE       LYS  65 -12.973  19.731  19.731
   14   2HE   LYS  65          1HE       LYS  65 -14.484  20.472  20.472
   15   1HZ   LYS  65          2HZ       LYS  65 -14.440  21.813  21.813
   16   2HZ   LYS  65          1HZ       LYS  65 -12.919  21.170  21.170
   17   3HZ   LYS  65          3HZ       LYS  65 -13.121  22.121  22.121
   18    HA   PRO  66           HA       PRO  66 -15.402  14.557  14.557
   19   1HB   PRO  66          2HB       PRO  66 -16.343  17.381  17.381
   20   2HB   PRO  66          1HB       PRO  66 -16.786  15.945  15.945
   21   1HG   PRO  66          1HG       PRO  66 -18.424  16.908  16.908
   22   2HG   PRO  66          2HG       PRO  66 -18.220  15.160  15.160
   23   1HD   PRO  66          2HD       PRO  66 -17.185  16.938  16.938
   24   2HD   PRO  66          1HD       PRO  66 -17.648  15.227  15.227
   25    H    HIS  67           H        HIS  67 -14.013  15.333  15.333
   26    HA   HIS  67           HA       HIS  67 -12.148  16.310  16.310
   27   1HB   HIS  67          1HB       HIS  67 -12.152  18.293  18.293
   28   2HB   HIS  67          2HB       HIS  67 -11.499  18.491  18.491
   29    HD1  HIS  67           HD1      HIS  67 -13.225  19.029  19.029
   30    HD2  HIS  67           HD2      HIS  67 -14.840  18.818  18.818
   31    HE1  HIS  67           HE1      HIS  67 -15.538  20.039  20.039
   32    H    GLN  68           H        GLN  68 -11.746  16.845  16.845
   33    HA   GLN  68           HA       GLN  68  -9.057  16.000  16.000
   34   1HB   GLN  68          1HB       GLN  68 -11.121  16.652  16.652
   35   2HB   GLN  68          2HB       GLN  68  -9.766  15.673  15.673
   36   1HG   GLN  68          1HG       GLN  68  -8.572  17.701  17.701
   37   2HG   GLN  68          2HG       GLN  68  -9.895  18.503  18.503
   38   1HE2  GLN  68          2HE2      GLN  68  -6.883  16.756  16.756
   39   2HE2  GLN  68          1HE2      GLN  68  -7.283  16.178  16.178
   40    H    TRP  69           H        TRP  69 -11.788  14.378  14.378
   41    HA   TRP  69           HA       TRP  69 -10.498  11.926  11.926
   42   1HB   TRP  69          1HB       TRP  69 -12.961  12.987  12.987
   43   2HB   TRP  69          2HB       TRP  69 -13.381  11.672  11.672
   44    HD1  TRP  69           HD1      TRP  69 -10.454  11.569  11.569
   45    HE1  TRP  69           HE1      TRP  69 -10.886   9.651   9.651
   46    HE3  TRP  69           HE3      TRP  69 -15.131  10.199  10.199
   47    HZ2  TRP  69          2HZ       TRP  69 -12.940   7.801   7.801
   48    HZ3  TRP  69           HZ3      TRP  69 -16.261   8.346   8.346
   49    HH2  TRP  69           HH2      TRP  69 -15.187   7.172   7.172
   50    H    GLN  70           H        GLN  70 -12.273  13.237  13.237
   51    HA   GLN  70           HA       GLN  70 -12.669  10.869  10.869
   52   1HB   GLN  70          1HB       GLN  70 -13.879  12.815  12.815
   53   2HB   GLN  70          2HB       GLN  70 -12.408  13.761  13.761
   54   1HG   GLN  70          1HG       GLN  70 -12.116  13.117  13.117
   55   2HG   GLN  70          2HG       GLN  70 -12.449  11.428  11.428
   56   1HE2  GLN  70          2HE2      GLN  70 -15.150  13.608  13.608
   57   2HE2  GLN  70          1HE2      GLN  70 -13.507  14.073  14.073
   58    H    ALA  71           H        ALA  71  -9.839  12.741  12.741
   59    HA   ALA  71           HA       ALA  71  -8.396  11.625  11.625
   60   1HB   ALA  71          1HB       ALA  71  -8.038  13.966  13.966
   61   2HB   ALA  71          3HB       ALA  71  -7.462  13.493  13.493
   62   3HB   ALA  71          2HB       ALA  71  -6.547  13.037  13.037
   63    H    ASP  72           H        ASP  72  -7.745  11.815  11.815
   64    HA   ASP  72           HA       ASP  72  -5.733   9.924   9.924
   65   1HB   ASP  72          1HB       ASP  72  -6.206   9.695   9.695
   66   2HB   ASP  72          2HB       ASP  72  -6.291  11.384  11.384
   67    H    GLU  73           H        GLU  73  -9.179   9.457   9.457
   68    HA   GLU  73           HA       GLU  73  -9.205   6.715   6.715
   69   1HB   GLU  73          1HB       GLU  73 -11.131   8.452   8.452
   70   2HB   GLU  73          2HB       GLU  73 -11.437   6.742   6.742
   71   1HG   GLU  73          1HG       GLU  73 -10.938   8.721   8.721
   72   2HG   GLU  73          2HG       GLU  73 -12.543   8.303   8.303
   73    H    GLU  74           H        GLU  74  -8.777   8.426   8.426
   74    HA   GLU  74           HA       GLU  74  -8.717   5.965   5.965
   75   1HB   GLU  74          1HB       GLU  74  -9.520   8.428   8.428
   76   2HB   GLU  74          2HB       GLU  74  -7.838   8.549   8.549
   77   1HG   GLU  74          1HG       GLU  74  -8.168   7.279   7.279
   78   2HG   GLU  74          2HG       GLU  74  -9.102   6.089   6.089
   79    H    ALA  75           H        ALA  75  -6.527   8.113   8.113
   80    HA   ALA  75           HA       ALA  75  -4.172   7.646   7.646
   81   1HB   ALA  75          1HB       ALA  75  -4.865   8.629   8.629
   82   2HB   ALA  75          3HB       ALA  75  -3.241   7.963   7.963
   83   3HB   ALA  75          2HB       ALA  75  -3.762   9.293   9.293
   84    H    VAL  76           H        VAL  76  -5.286   6.042   6.042
   85    HA   VAL  76           HA       VAL  76  -3.295   4.150   4.150
   86    HB   VAL  76           HB       VAL  76  -5.900   4.562   4.562
   87   1HG1  VAL  76          3HG1      VAL  76  -5.251   1.718   1.718
   88   2HG1  VAL  76          2HG1      VAL  76  -6.166   2.126   2.126
   89   3HG1  VAL  76          1HG1      VAL  76  -6.788   2.572   2.572
   90   1HG2  VAL  76          3HG2      VAL  76  -3.398   3.164   3.164
   91   2HG2  VAL  76          2HG2      VAL  76  -3.897   4.818   4.818
   92   3HG2  VAL  76          1HG2      VAL  76  -4.787   3.461   3.461
   93    H    ARG  77           H        ARG  77  -6.350   3.888   3.888
   94    HA   ARG  77           HA       ARG  77  -6.111   1.306   1.306
   95   1HB   ARG  77          1HB       ARG  77  -7.829   3.409   3.409
   96   2HB   ARG  77          2HB       ARG  77  -7.075   3.204   3.204
   97   1HG   ARG  77          2HG       ARG  77  -7.661   0.636   0.636
   98   2HG   ARG  77          1HG       ARG  77  -8.981   1.488   1.488
   99   1HD   ARG  77          1HD       ARG  77  -9.770   2.400   2.400
  100   2HD   ARG  77          2HD       ARG  77  -8.243   2.130   2.130
  101    HE   ARG  77           HE       ARG  77  -9.359  -0.343  -0.343
  102   1HH1  ARG  77          1HH1      ARG  77  -9.834   2.271   2.271
  103   2HH1  ARG  77          2HH1      ARG  77 -10.595   1.275   1.275
  104   1HH2  ARG  77          2HH2      ARG  77 -10.361  -1.664  -1.664
  105   2HH2  ARG  77          1HH2      ARG  77 -10.894  -0.960  -0.960
  106    H    SER  78           H        SER  78  -4.716   4.288   4.288
  107    HA   SER  78           HA       SER  78  -3.291   2.769   2.769
  108   1HB   SER  78          2HB       SER  78  -2.692   4.920   4.920
  109   2HB   SER  78          1HB       SER  78  -4.421   4.914   4.914
  110    HG   SER  78           HG       SER  78  -3.977   6.676   6.676
  111    H    ALA  79           H        ALA  79  -2.712   2.820   2.820
  112    HA   ALA  79           HA       ALA  79  -0.925   2.906   2.906
  113   1HB   ALA  79          1HB       ALA  79   0.417   2.164   2.164
  114   2HB   ALA  79          3HB       ALA  79   1.216   2.112   2.112
  115   3HB   ALA  79          2HB       ALA  79  -0.179   1.079   1.079
  116    H    THR  80           H        THR  80  -1.143   5.184   5.184
  117    HA   THR  80           HA       THR  80   1.243   6.609   6.609
  118    HB   THR  80           HB       THR  80   0.829   6.973   6.973
  119    HG1  THR  80          1HG       THR  80   1.401   8.921   8.921
  120   1HG2  THR  80          2HG2      THR  80  -1.998   7.613   7.613
  121   2HG2  THR  80          1HG2      THR  80  -1.296   8.047   8.047
  122   3HG2  THR  80          3HG2      THR  80  -1.418   6.351   6.351
  123    H    CYS  81           H        CYS  81  -0.298   6.112   6.112
  124    HA   CYS  81           HA       CYS  81  -1.589   8.695   8.695
  125   1HB   CYS  81          2HB       CYS  81  -2.514   6.006   6.006
  126   2HB   CYS  81          1HB       CYS  81  -2.339   6.776   6.776
  127    HG   CYS  81           HG       CYS  81  -3.921   8.483   8.483
  128    H    SER  82           H        SER  82  -1.603   9.106   9.106
  129    HA   SER  82           HA       SER  82   0.339   8.109   8.109
  130   1HB   SER  82          2HB       SER  82   2.018   9.992   9.992
  131   2HB   SER  82          1HB       SER  82   2.054   8.902   8.902
  132    HG   SER  82           HG       SER  82   1.640  11.540  11.540
  133    H    PHE  83           H        PHE  83   0.452   9.242   9.242
  134    HA   PHE  83           HA       PHE  83  -0.884  11.761  11.761
  135   1HB   PHE  83          1HB       PHE  83  -2.184   9.220   9.220
  136   2HB   PHE  83          2HB       PHE  83  -2.562  10.806  10.806
  137    HD1  PHE  83           HD2      PHE  83  -3.087  12.621  12.621
  138    HD2  PHE  83           HD1      PHE  83  -3.611   8.413   8.413
  139    HE1  PHE  83           HE2      PHE  83  -4.752  12.979  12.979
  140    HE2  PHE  83           HE1      PHE  83  -5.277   8.762   8.762
  141    HZ   PHE  83           HZ       PHE  83  -5.849  11.049  11.049
  142    H    SER  84           H        SER  84  -0.232  12.779  12.779
  143    HA   SER  84           HA       SER  84   2.048  12.012  12.012
  144   1HB   SER  84          2HB       SER  84   1.012  14.295  14.295
  145   2HB   SER  84          1HB       SER  84  -0.163  13.685  13.685
  146    HG   SER  84           HG       SER  84   2.494  14.337  14.337
  147    H    VAL  85           H        VAL  85   2.245  11.566  11.566
  148    HA   VAL  85           HA       VAL  85   0.171  10.246  10.246
  149    HB   VAL  85           HB       VAL  85   0.581   8.559   8.559
  150   1HG1  VAL  85          2HG2      VAL  85   2.999   8.904   8.904
  151   2HG1  VAL  85          1HG2      VAL  85   3.243   8.200   8.200
  152   3HG1  VAL  85          3HG2      VAL  85   2.596   7.211   7.211
  153   1HG2  VAL  85          1HG1      VAL  85  -0.329   8.026   8.026
  154   2HG2  VAL  85          3HG1      VAL  85   0.476   6.680   6.680
  155   3HG2  VAL  85          2HG1      VAL  85   1.303   7.560   7.560
  156    H    LYS  86           H        LYS  86   0.900   9.182   9.182
  157    HA   LYS  86           HA       LYS  86   3.479  10.261  10.261
  158   1HB   LYS  86          2HB       LYS  86   0.861   9.834   9.834
  159   2HB   LYS  86          1HB       LYS  86   2.362   9.922   9.922
  160   1HG   LYS  86          1HG       LYS  86   2.580  12.127  12.127
  161   2HG   LYS  86          2HG       LYS  86   0.832  12.038  12.038
  162   1HD   LYS  86          2HD       LYS  86   2.627  11.711  11.711
  163   2HD   LYS  86          1HD       LYS  86   2.328  13.328  13.328
  164   1HE   LYS  86          2HE       LYS  86   0.075  11.446  11.446
  165   2HE   LYS  86          1HE       LYS  86   0.794  12.459  12.459
  166   1HZ   LYS  86          3HZ       LYS  86   0.216  13.998  13.998
  167   2HZ   LYS  86          2HZ       LYS  86  -1.172  13.171  13.171
  168   3HZ   LYS  86          1HZ       LYS  86  -0.359  14.189  14.189
  169    H    TYR  87           H        TYR  87   3.893   8.035   8.035
  170    HA   TYR  87           HA       TYR  87   3.424   5.559   5.559
  171   1HB   TYR  87          1HB       TYR  87   5.071   6.584   6.584
  172   2HB   TYR  87          2HB       TYR  87   6.202   5.836   5.836
  173    HD1  TYR  87           HD1      TYR  87   3.302   5.199   5.199
  174    HD2  TYR  87           HD2      TYR  87   6.384   3.474   3.474
  175    HE1  TYR  87           HE1      TYR  87   2.810   2.995   2.995
  176    HE2  TYR  87           HE2      TYR  87   5.899   1.265   1.265
  177    HH   TYR  87           HH2      TYR  87   4.820   0.194   0.194
  178    H    LEU  88           H        LEU  88   5.292   4.142   4.142
  179    HA   LEU  88           HA       LEU  88   6.613   5.564   5.564
  180   1HB   LEU  88          1HB       LEU  88   5.064   3.015   3.015
  181   2HB   LEU  88          2HB       LEU  88   5.870   3.973   3.973
  182    HG   LEU  88           HG       LEU  88   3.630   5.145   5.145
  183   1HD1  LEU  88          3HD1      LEU  88   3.270   2.854   2.854
  184   2HD1  LEU  88          2HD1      LEU  88   2.901   4.105   4.105
  185   3HD1  LEU  88          1HD1      LEU  88   2.021   4.051   4.051
  186   1HD2  LEU  88          3HD2      LEU  88   5.335   6.115   6.115
  187   2HD2  LEU  88          2HD2      LEU  88   3.895   6.890   6.890
  188   3HD2  LEU  88          1HD2      LEU  88   3.769   5.879   5.879
  189    H    GLY  89           H        GLY  89   6.287   2.527   2.527
  190   1HA   GLY  89          2HA       GLY  89   8.659   1.987   1.987
  191   2HA   GLY  89          1HA       GLY  89   9.024   1.815   1.815
  192    H    CYS  90           H        CYS  90   9.506  -0.346  -0.346
  193    HA   CYS  90           HA       CYS  90   7.207  -2.121  -2.121
  194   1HB   CYS  90          2HB       CYS  90   9.948  -2.993  -2.993
  195   2HB   CYS  90          1HB       CYS  90   8.382  -3.669  -3.669
  196    HG   CYS  90           HG       CYS  90   9.019  -2.391  -2.391
  197    H    VAL  91           H        VAL  91   7.349  -4.132  -4.132
  198    HA   VAL  91           HA       VAL  91   9.354  -4.198  -4.198
  199    HB   VAL  91           HB       VAL  91   7.450  -5.053  -5.053
  200   1HG1  VAL  91          1HG1      VAL  91   8.213  -2.324  -2.324
  201   2HG1  VAL  91          3HG1      VAL  91   6.657  -2.444  -2.444
  202   3HG1  VAL  91          2HG1      VAL  91   8.109  -3.093  -3.093
  203   1HG2  VAL  91          3HG2      VAL  91   5.821  -5.280  -5.280
  204   2HG2  VAL  91          2HG2      VAL  91   5.226  -4.299  -4.299
  205   3HG2  VAL  91          1HG2      VAL  91   5.790  -3.523  -3.523
  206    H    GLU  92           H        GLU  92  10.268  -6.155  -6.155
  207    HA   GLU  92           HA       GLU  92   9.646  -8.295  -8.295
  208   1HB   GLU  92          2HB       GLU  92  11.129  -9.614  -9.614
  209   2HB   GLU  92          1HB       GLU  92  11.851  -8.259  -8.259
  210   1HG   GLU  92          2HG       GLU  92  11.801  -6.891  -6.891
  211   2HG   GLU  92          1HG       GLU  92  10.709  -7.984  -7.984
  212    H    VAL  93           H        VAL  93   8.115  -9.797  -9.797
  213    HA   VAL  93           HA       VAL  93   6.907 -10.404 -10.404
  214    HB   VAL  93           HB       VAL  93   4.739 -10.750 -10.750
  215   1HG1  VAL  93          1HG1      VAL  93   5.659  -8.515  -8.515
  216   2HG1  VAL  93          3HG1      VAL  93   5.532  -7.947  -7.947
  217   3HG1  VAL  93          2HG1      VAL  93   4.104  -8.562  -8.562
  218   1HG2  VAL  93          3HG2      VAL  93   6.069 -10.906 -10.906
  219   2HG2  VAL  93          2HG2      VAL  93   4.394 -10.357 -10.357
  220   3HG2  VAL  93          1HG2      VAL  93   5.704  -9.181  -9.181
  221    H    PHE  94           H        PHE  94   5.760 -12.526 -12.526
  222    HA   PHE  94           HA       PHE  94   7.399 -14.517 -14.517
  223   1HB   PHE  94          1HB       PHE  94   5.314 -14.979 -14.979
  224   2HB   PHE  94          2HB       PHE  94   6.571 -16.095 -16.095
  225    HD1  PHE  94           HD2      PHE  94   8.905 -14.268 -14.268
  226    HD2  PHE  94           HD1      PHE  94   5.783 -14.667 -14.667
  227    HE1  PHE  94           HE2      PHE  94  10.404 -13.402 -13.402
  228    HE2  PHE  94           HE1      PHE  94   7.276 -13.802 -13.802
  229    HZ   PHE  94           HZ       PHE  94   9.590 -13.168 -13.168
  230    H    GLU  95           H        GLU  95   5.024 -12.920 -12.920
  231    HA   GLU  95           HA       GLU  95   3.944 -15.121 -15.121
  232   1HB   GLU  95          1HB       GLU  95   2.228 -13.545 -13.545
  233   2HB   GLU  95          2HB       GLU  95   1.549 -14.359 -14.359
  234   1HG   GLU  95          2HG       GLU  95   2.486 -16.490 -16.490
  235   2HG   GLU  95          1HG       GLU  95   3.003 -15.635 -15.635
  236    H    SER  96           H        SER  96   4.110 -14.386 -14.386
  237    HA   SER  96           HA       SER  96   3.771 -11.533 -11.533
  238   1HB   SER  96          1HB       SER  96   4.489 -12.332 -12.332
  239   2HB   SER  96          2HB       SER  96   5.696 -12.287 -12.287
  240    HG   SER  96           HG       SER  96   5.898 -14.366 -14.366
  241    H    ARG  97           H        ARG  97   1.559 -13.523 -13.523
  242    HA   ARG  97           HA       ARG  97  -0.212 -12.606 -12.606
  243   1HB   ARG  97          2HB       ARG  97   0.507 -14.673 -14.673
  244   2HB   ARG  97          1HB       ARG  97   0.293 -15.538 -15.538
  245   1HG   ARG  97          2HG       ARG  97  -1.814 -15.997 -15.997
  246   2HG   ARG  97          1HG       ARG  97  -2.172 -14.291 -14.291
  247   1HD   ARG  97          2HD       ARG  97  -2.659 -15.376 -15.376
  248   2HD   ARG  97          1HD       ARG  97  -1.103 -14.584 -14.584
  249    HE   ARG  97           HE       ARG  97  -0.406 -17.070 -17.070
  250   1HH1  ARG  97          1HH1      ARG  97  -2.545 -15.865 -15.865
  251   2HH1  ARG  97          2HH1      ARG  97  -2.296 -17.215 -17.215
  252   1HH2  ARG  97          2HH2      ARG  97  -0.071 -18.853 -18.853
  253   2HH2  ARG  97          1HH2      ARG  97  -0.890 -18.913 -18.913
  254    H    GLY  98           H        GLY  98  -2.150 -12.094 -12.094
  255   1HA   GLY  98          1HA       GLY  98  -4.008 -12.945 -12.945
  256   2HA   GLY  98          2HA       GLY  98  -2.777 -13.104 -13.104
  257    H    MET  99           H        MET  99  -5.315 -11.347 -11.347
  258    HA   MET  99           HA       MET  99  -4.440  -8.667  -8.667
  259   1HB   MET  99          2HB       MET  99  -6.812  -9.775  -9.775
  260   2HB   MET  99          1HB       MET  99  -7.027  -9.431  -9.431
  261   1HG   MET  99          1HG       MET  99  -5.944  -7.138  -7.138
  262   2HG   MET  99          2HG       MET  99  -7.399  -7.696  -7.696
  263   1HE   MET  99          2HE       MET  99  -5.835  -6.395  -6.395
  264   2HE   MET  99          1HE       MET  99  -6.353  -5.109  -5.109
  265   3HE   MET  99          3HE       MET  99  -7.144  -5.311  -5.311
  266    H    GLN 100           H        GLN 100  -5.016 -11.018 -11.018
  267    HA   GLN 100           HA       GLN 100  -5.132  -9.310  -9.310
  268   1HB   GLN 100          2HB       GLN 100  -4.718 -12.154 -12.154
  269   2HB   GLN 100          1HB       GLN 100  -3.809 -11.576 -11.576
  270   1HG   GLN 100          2HG       GLN 100  -5.642 -11.681 -11.681
  271   2HG   GLN 100          1HG       GLN 100  -6.391 -10.466 -10.466
  272   1HE2  GLN 100          1HE2      GLN 100  -8.799 -13.053 -13.053
  273   2HE2  GLN 100          2HE2      GLN 100  -8.329 -11.693 -11.693
  274    H    VAL 101           H        VAL 101  -2.335 -10.791 -10.791
  275    HA   VAL 101           HA       VAL 101  -0.374  -9.896  -9.896
  276    HB   VAL 101           HB       VAL 101  -0.056 -10.389 -10.389
  277   1HG1  VAL 101          2HG1      VAL 101   1.782  -9.123  -9.123
  278   2HG1  VAL 101          1HG1      VAL 101   2.023 -10.520 -10.520
  279   3HG1  VAL 101          3HG1      VAL 101   2.277 -10.671 -10.671
  280   1HG2  VAL 101          2HG2      VAL 101  -1.015 -12.242 -12.242
  281   2HG2  VAL 101          1HG2      VAL 101   0.262 -12.634 -12.634
  282   3HG2  VAL 101          3HG2      VAL 101   0.655 -12.373 -12.373
  283    H    CYS 102           H        CYS 102  -2.050  -8.297  -8.297
  284    HA   CYS 102           HA       CYS 102  -0.233  -6.147  -6.147
  285   1HB   CYS 102          2HB       CYS 102  -3.136  -6.554  -6.554
  286   2HB   CYS 102          1HB       CYS 102  -2.331  -5.017  -5.017
  287    HG   CYS 102           HG       CYS 102  -0.909  -6.096  -6.096
  288    H    GLU 103           H        GLU 103  -3.242  -6.472  -6.472
  289    HA   GLU 103           HA       GLU 103  -3.442  -3.904  -3.904
  290   1HB   GLU 103          1HB       GLU 103  -4.300  -6.587  -6.587
  291   2HB   GLU 103          2HB       GLU 103  -4.391  -5.240  -5.240
  292   1HG   GLU 103          1HG       GLU 103  -6.050  -4.197  -4.197
  293   2HG   GLU 103          2HG       GLU 103  -5.546  -4.873  -4.873
  294    H    GLU 104           H        GLU 104  -1.913  -6.669  -6.669
  295    HA   GLU 104           HA       GLU 104  -0.805  -5.140  -5.140
  296   1HB   GLU 104          1HB       GLU 104   0.772  -7.164  -7.164
  297   2HB   GLU 104          2HB       GLU 104  -0.951  -7.441  -7.441
  298   1HG   GLU 104          2HG       GLU 104  -1.126  -8.689  -8.689
  299   2HG   GLU 104          1HG       GLU 104   0.088  -7.756  -7.756
  300    H    ALA 105           H        ALA 105   0.307  -5.867  -5.867
  301    HA   ALA 105           HA       ALA 105   3.022  -5.206  -5.206
  302   1HB   ALA 105          1HB       ALA 105   1.176  -5.614  -5.614
  303   2HB   ALA 105          3HB       ALA 105   2.530  -4.537  -4.537
  304   3HB   ALA 105          2HB       ALA 105   2.832  -6.177  -6.177
  305    H    LEU 106           H        LEU 106   0.366  -3.221  -3.221
  306    HA   LEU 106           HA       LEU 106   1.734  -0.847  -0.847
  307   1HB   LEU 106          1HB       LEU 106  -0.867  -1.641  -1.641
  308   2HB   LEU 106          2HB       LEU 106  -0.979  -0.536  -0.536
  309    HG   LEU 106           HG       LEU 106   0.268   0.187   0.187
  310   1HD1  LEU 106          3HD2      LEU 106  -2.213  -0.385  -0.385
  311   2HD1  LEU 106          2HD2      LEU 106  -2.444   1.041   1.041
  312   3HD1  LEU 106          1HD2      LEU 106  -1.742   1.205   1.205
  313   1HD2  LEU 106          2HD1      LEU 106   0.549   1.390   1.390
  314   2HD2  LEU 106          1HD1      LEU 106   0.736   2.187   2.187
  315   3HD2  LEU 106          3HD1      LEU 106  -0.803   2.276   2.276
  316    H    LYS 107           H        LYS 107   0.129  -2.086  -2.086
  317    HA   LYS 107           HA       LYS 107   0.495   0.102   0.102
  318   1HB   LYS 107          2HB       LYS 107  -0.910  -1.664  -1.664
  319   2HB   LYS 107          1HB       LYS 107   0.356  -2.864  -2.864
  320   1HG   LYS 107          2HG       LYS 107   0.844  -0.682  -0.682
  321   2HG   LYS 107          1HG       LYS 107  -0.320  -1.937  -1.937
  322   1HD   LYS 107          2HD       LYS 107   2.304  -2.786  -2.786
  323   2HD   LYS 107          1HD       LYS 107   2.264  -2.178  -2.178
  324   1HE   LYS 107          1HE       LYS 107   0.301  -4.252  -4.252
  325   2HE   LYS 107          2HE       LYS 107   1.945  -4.719  -4.719
  326   1HZ   LYS 107          3HZ       LYS 107   1.346  -3.221  -3.221
  327   2HZ   LYS 107          2HZ       LYS 107  -0.216  -3.739  -3.739
  328   3HZ   LYS 107          1HZ       LYS 107   0.991  -4.874  -4.874
  329    H    VAL 108           H        VAL 108   2.662  -2.552  -2.552
  330    HA   VAL 108           HA       VAL 108   4.680  -1.982  -1.982
  331    HB   VAL 108           HB       VAL 108   5.129  -3.220  -3.220
  332   1HG1  VAL 108          2HG1      VAL 108   6.552  -3.363  -3.363
  333   2HG1  VAL 108          1HG1      VAL 108   6.830  -4.524  -4.524
  334   3HG1  VAL 108          3HG1      VAL 108   7.186  -2.815  -2.815
  335   1HG2  VAL 108          1HG2      VAL 108   3.452  -4.131  -4.131
  336   2HG2  VAL 108          3HG2      VAL 108   3.726  -4.850  -4.850
  337   3HG2  VAL 108          2HG2      VAL 108   4.799  -5.243  -5.243
  338    H    LEU 109           H        LEU 109   4.228  -0.915  -0.915
  339    HA   LEU 109           HA       LEU 109   6.638   0.360   0.360
  340   1HB   LEU 109          1HB       LEU 109   3.864   0.865   0.865
  341   2HB   LEU 109          2HB       LEU 109   5.131   2.011   2.011
  342    HG   LEU 109           HG       LEU 109   5.010   0.558   0.558
  343   1HD1  LEU 109          1HD2      LEU 109   7.311   0.978   0.978
  344   2HD1  LEU 109          3HD2      LEU 109   7.227  -0.679  -0.679
  345   3HD1  LEU 109          2HD2      LEU 109   7.163  -0.365  -0.365
  346   1HD2  LEU 109          2HD1      LEU 109   3.657  -1.180  -1.180
  347   2HD2  LEU 109          1HD1      LEU 109   4.997  -1.858  -1.858
  348   3HD2  LEU 109          3HD1      LEU 109   5.096  -1.767  -1.767
  349    H    ARG 110           H        ARG 110   4.071   1.274   1.274
  350    HA   ARG 110           HA       ARG 110   5.067   3.997   3.997
  351   1HB   ARG 110          2HB       ARG 110   2.601   3.415   3.415
  352   2HB   ARG 110          1HB       ARG 110   2.824   2.694   2.694
  353   1HG   ARG 110          1HG       ARG 110   3.941   5.276   5.276
  354   2HG   ARG 110          2HG       ARG 110   2.382   5.425   5.425
  355   1HD   ARG 110          1HD       ARG 110   1.508   3.930   3.930
  356   2HD   ARG 110          2HD       ARG 110   2.991   4.404   4.404
  357    HE   ARG 110           HE       ARG 110   0.666   5.997   5.997
  358   1HH1  ARG 110          1HH1      ARG 110   4.139   6.145   6.145
  359   2HH1  ARG 110          2HH1      ARG 110   4.168   7.784   7.784
  360   1HH2  ARG 110          1HH2      ARG 110   0.691   8.157   8.157
  361   2HH2  ARG 110          2HH2      ARG 110   2.208   8.928   8.928
  362    H    GLN 111           H        GLN 111   4.438   1.225   1.225
  363    HA   GLN 111           HA       GLN 111   5.631   2.318   2.318
  364   1HB   GLN 111          2HB       GLN 111   5.612   0.069   0.069
  365   2HB   GLN 111          1HB       GLN 111   4.127   0.354   0.354
  366   1HG   GLN 111          2HG       GLN 111   4.508  -1.463  -1.463
  367   2HG   GLN 111          1HG       GLN 111   5.986  -0.734  -0.734
  368   1HE2  GLN 111          2HE2      GLN 111   6.553  -4.018  -4.018
  369   2HE2  GLN 111          1HE2      GLN 111   5.352  -3.523  -3.523
  370    H    SER 112           H        SER 112   7.025   0.639   0.639
  371    HA   SER 112           HA       SER 112   9.583   0.277   0.277
  372   1HB   SER 112          1HB       SER 112   8.272  -0.789  -0.789
  373   2HB   SER 112          2HB       SER 112   9.790  -0.076  -0.076
  374    HG   SER 112           HG       SER 112   9.358  -2.342  -2.342
  375    H    ARG 113           H        ARG 113  11.575   0.988   0.988
  376    HA   ARG 113           HA       ARG 113  11.796   3.755   3.755
  377   1HB   ARG 113          2HB       ARG 113  13.895   3.454   3.454
  378   2HB   ARG 113          1HB       ARG 113  13.756   2.335   2.335
  379   1HG   ARG 113          2HG       ARG 113  14.061   0.627   0.627
  380   2HG   ARG 113          1HG       ARG 113  12.633   1.095   1.095
  381   1HD   ARG 113          1HD       ARG 113  13.847   2.105   2.105
  382   2HD   ARG 113          2HD       ARG 113  15.080   2.669   2.669
  383    HE   ARG 113           HE       ARG 113  15.180   0.318   0.318
  384   1HH1  ARG 113          1HH1      ARG 113  16.037   1.571   1.571
  385   2HH1  ARG 113          2HH1      ARG 113  17.358   0.472   0.472
  386   1HH2  ARG 113          1HH2      ARG 113  16.918  -1.135  -1.135
  387   2HH2  ARG 113          2HH2      ARG 113  17.859  -1.067  -1.067
  388    H    ARG 114           H        ARG 114  10.491   1.722   1.722
  389    HA   ARG 114           HA       ARG 114  10.806   3.060   3.060
  390   1HB   ARG 114          2HB       ARG 114   8.349   1.729   1.729
  391   2HB   ARG 114          1HB       ARG 114   8.429   2.309   2.309
  392   1HG   ARG 114          2HG       ARG 114  10.480   0.405   0.405
  393   2HG   ARG 114          1HG       ARG 114   8.921  -0.173  -0.173
  394   1HD   ARG 114          1HD       ARG 114   9.572   0.043   0.043
  395   2HD   ARG 114          2HD       ARG 114  10.092   1.706   1.706
  396    HE   ARG 114           HE       ARG 114  11.945  -0.238  -0.238
  397   1HH1  ARG 114          1HH1      ARG 114  10.927   1.534   1.534
  398   2HH1  ARG 114          2HH1      ARG 114  12.466   1.416   1.416
  399   1HH2  ARG 114          1HH2      ARG 114  13.974  -0.397  -0.397
  400   2HH2  ARG 114          2HH2      ARG 114  14.199   0.319   0.319
  401    H    ARG 115           H        ARG 115  10.859   5.243   5.243
  402    HA   ARG 115           HA       ARG 115   8.775   6.812   6.812
  403   1HB   ARG 115          1HB       ARG 115  10.135   8.750   8.750
  404   2HB   ARG 115          2HB       ARG 115  11.116   7.530   7.530
  405   1HG   ARG 115          2HG       ARG 115  11.451   6.859   6.859
  406   2HG   ARG 115          1HG       ARG 115  11.298   8.615   8.615
  407   1HD   ARG 115          2HD       ARG 115  13.010   7.764   7.764
  408   2HD   ARG 115          1HD       ARG 115  13.588   7.201   7.201
  409    HE   ARG 115           HE       ARG 115  13.643   9.872   9.872
  410   1HH1  ARG 115          1HH1      ARG 115  13.281   7.973   7.973
  411   2HH1  ARG 115          2HH1      ARG 115  13.874   9.220   9.220
  412   1HH2  ARG 115          1HH2      ARG 115  14.426  11.521  11.521
  413   2HH2  ARG 115          2HH2      ARG 115  14.525  11.236  11.236
  414    HA   PRO 116           HA       PRO 116   6.273   7.266   7.266
  415   1HB   PRO 116          2HB       PRO 116   5.728  10.006  10.006
  416   2HB   PRO 116          1HB       PRO 116   4.606   8.685   8.685
  417   1HG   PRO 116          1HG       PRO 116   5.171   9.418   9.418
  418   2HG   PRO 116          2HG       PRO 116   4.913   7.717   7.717
  419   1HD   PRO 116          1HD       PRO 116   7.472   9.177   9.177
  420   2HD   PRO 116          2HD       PRO 116   7.001   7.526   7.526
  421    H    VAL 117           H        VAL 117   6.247   8.272   8.272
  422    HA   VAL 117           HA       VAL 117   8.487  10.116  10.116
  423    HB   VAL 117           HB       VAL 117   8.510   7.735   7.735
  424   1HG1  VAL 117          3HG2      VAL 117   6.110   7.944   7.944
  425   2HG1  VAL 117          2HG2      VAL 117   6.740   8.964   8.964
  426   3HG1  VAL 117          1HG2      VAL 117   7.279   7.292   7.292
  427   1HG2  VAL 117          1HG1      VAL 117   9.665  10.070  10.070
  428   2HG2  VAL 117          3HG1      VAL 117  10.023   8.492   8.492
  429   3HG2  VAL 117          2HG1      VAL 117   8.871   9.567   9.567
  430    H    ARG 118           H        ARG 118   8.024  11.288  11.288
  431    HA   ARG 118           HA       ARG 118   5.227  12.053  12.053
  432   1HB   ARG 118          2HB       ARG 118   6.496  13.570  13.570
  433   2HB   ARG 118          1HB       ARG 118   7.296  14.220  14.220
  434   1HG   ARG 118          2HG       ARG 118   5.582  15.563  15.563
  435   2HG   ARG 118          1HG       ARG 118   4.499  14.175  14.175
  436   1HD   ARG 118          1HD       ARG 118   3.659  15.618  15.618
  437   2HD   ARG 118          2HD       ARG 118   4.323  14.179  14.179
  438    HE   ARG 118           HE       ARG 118   5.831  15.516  15.516
  439   1HH1  ARG 118          1HH1      ARG 118   4.592  17.223  17.223
  440   2HH1  ARG 118          2HH1      ARG 118   5.407  18.702  18.702
  441   1HH2  ARG 118          1HH2      ARG 118   6.908  17.460  17.460
  442   2HH2  ARG 118          2HH2      ARG 118   6.724  18.838  18.838
  443    H    GLY 119           H        GLY 119   5.712  10.773  10.773
  444   1HA   GLY 119          2HA       GLY 119   6.982  12.495  12.495
  445   2HA   GLY 119          1HA       GLY 119   7.247  10.761  10.761
  446    H    LEU 120           H        LEU 120   6.440  10.314  10.314
  447    HA   LEU 120           HA       LEU 120   3.561  10.823  10.823
  448   1HB   LEU 120          1HB       LEU 120   5.778  11.561  11.561
  449   2HB   LEU 120          2HB       LEU 120   4.911  10.310  10.310
  450    HG   LEU 120           HG       LEU 120   3.891  13.004  13.004
  451   1HD1  LEU 120          3HD1      LEU 120   5.173  12.375  12.375
  452   2HD1  LEU 120          2HD1      LEU 120   3.549  11.881  11.881
  453   3HD1  LEU 120          1HD1      LEU 120   3.851  13.541  13.541
  454   1HD2  LEU 120          2HD2      LEU 120   2.393  10.637  10.637
  455   2HD2  LEU 120          1HD2      LEU 120   1.795  12.293  12.293
  456   3HD2  LEU 120          3HD2      LEU 120   1.966  11.479  11.479
  457    H    LEU 121           H        LEU 121   2.291   9.084   9.084
  458    HA   LEU 121           HA       LEU 121   3.523   6.459   6.459
  459   1HB   LEU 121          1HB       LEU 121   1.602   6.789   6.789
  460   2HB   LEU 121          2HB       LEU 121   0.626   7.309   7.309
  461    HG   LEU 121           HG       LEU 121   0.725   5.085   5.085
  462   1HD1  LEU 121          1HD1      LEU 121   2.424   4.382   4.382
  463   2HD1  LEU 121          3HD1      LEU 121   1.769   3.229   3.229
  464   3HD1  LEU 121          2HD1      LEU 121   2.947   4.434   4.434
  465   1HD2  LEU 121          3HD2      LEU 121  -0.297   5.552   5.552
  466   2HD2  LEU 121          2HD2      LEU 121  -1.136   5.019   5.019
  467   3HD2  LEU 121          1HD2      LEU 121  -0.198   3.865   3.865
  468    H    HIS 122           H        HIS 122   4.358   6.080   6.080
  469    HA   HIS 122           HA       HIS 122   3.130   6.948   6.948
  470   1HB   HIS 122          2HB       HIS 122   5.468   5.174   5.174
  471   2HB   HIS 122          1HB       HIS 122   4.898   5.337   5.337
  472    HD1  HIS 122           HD1      HIS 122   5.027   7.832   7.832
  473    HD2  HIS 122           HD2      HIS 122   7.056   7.186   7.186
  474    HE1  HIS 122           HE1      HIS 122   6.628   9.771   9.771
  475    H    VAL 123           H        VAL 123   1.043   6.067   6.067
  476    HA   VAL 123           HA       VAL 123   0.851   3.145   3.145
  477    HB   VAL 123           HB       VAL 123  -1.345   5.192   5.192
  478   1HG1  VAL 123          3HG1      VAL 123  -1.536   2.672   2.672
  479   2HG1  VAL 123          2HG1      VAL 123  -2.032   2.427   2.427
  480   3HG1  VAL 123          1HG1      VAL 123  -2.858   3.623   3.623
  481   1HG2  VAL 123          2HG2      VAL 123   0.389   3.958   3.958
  482   2HG2  VAL 123          1HG2      VAL 123  -0.980   5.029   5.029
  483   3HG2  VAL 123          3HG2      VAL 123  -1.226   3.285   3.285
  484    H    SER 124           H        SER 124   1.043   2.441   2.441
  485    HA   SER 124           HA       SER 124  -0.316   3.965   3.965
  486   1HB   SER 124          1HB       SER 124   2.085   2.407   2.407
  487   2HB   SER 124          2HB       SER 124   1.513   3.965   3.965
  488    HG   SER 124           HG       SER 124   3.372   4.304   4.304
  489    H    GLY 125           H        GLY 125  -1.555   1.888   1.888
  490   1HA   GLY 125          2HA       GLY 125  -2.572  -0.159  -0.159
  491   2HA   GLY 125          1HA       GLY 125  -2.600   0.329   0.329
  492    H    ASP 126           H        ASP 126   0.438  -0.132  -0.132
  493    HA   ASP 126           HA       ASP 126   0.812  -2.868  -2.868
  494   1HB   ASP 126          1HB       ASP 126   1.295  -0.982  -0.982
  495   2HB   ASP 126          2HB       ASP 126   2.635  -2.078  -2.078
  496    H    GLY 127           H        GLY 127   1.474  -0.731  -0.731
  497   1HA   GLY 127          2HA       GLY 127   3.705  -1.677  -1.677
  498   2HA   GLY 127          1HA       GLY 127   4.374  -0.608  -0.608
  499    H    LEU 128           H        LEU 128   3.661  -0.821  -0.821
  500    HA   LEU 128           HA       LEU 128   2.971   2.024   2.024
  501   1HB   LEU 128          1HB       LEU 128   3.029   0.284   0.284
  502   2HB   LEU 128          2HB       LEU 128   1.906   1.556   1.556
  503    HG   LEU 128           HG       LEU 128   1.828  -1.056  -1.056
  504   1HD1  LEU 128          2HD1      LEU 128   1.429  -0.758  -0.758
  505   2HD1  LEU 128          1HD1      LEU 128  -0.122  -1.087  -1.087
  506   3HD1  LEU 128          3HD1      LEU 128   1.231  -2.196  -2.196
  507   1HD2  LEU 128          2HD2      LEU 128  -0.053   1.207   1.207
  508   2HD2  LEU 128          1HD2      LEU 128   0.436   0.518   0.518
  509   3HD2  LEU 128          3HD2      LEU 128  -0.652  -0.378  -0.378
  510    H    ARG 129           H        ARG 129   4.738   3.255   3.255
  511    HA   ARG 129           HA       ARG 129   6.931   2.296   2.296
  512   1HB   ARG 129          1HB       ARG 129   7.446   4.194   4.194
  513   2HB   ARG 129          2HB       ARG 129   8.549   3.069   3.069
  514   1HG   ARG 129          1HG       ARG 129   7.470   1.199   1.199
  515   2HG   ARG 129          2HG       ARG 129   6.285   2.287   2.287
  516   1HD   ARG 129          2HD       ARG 129   9.261   2.416   2.416
  517   2HD   ARG 129          1HD       ARG 129   8.107   1.637   1.637
  518    HE   ARG 129           HE       ARG 129   8.578   4.463   4.463
  519   1HH1  ARG 129          1HH1      ARG 129   6.333   2.009   2.009
  520   2HH1  ARG 129          2HH1      ARG 129   5.480   3.060   3.060
  521   1HH2  ARG 129          2HH2      ARG 129   7.461   5.857   5.857
  522   2HH2  ARG 129          1HH2      ARG 129   6.121   5.247   5.247
  523    H    VAL 130           H        VAL 130   6.742   3.429   3.429
  524    HA   VAL 130           HA       VAL 130   5.875   6.199   6.199
  525    HB   VAL 130           HB       VAL 130   5.027   4.719   4.719
  526   1HG1  VAL 130          1HG2      VAL 130   7.506   3.644   3.644
  527   2HG1  VAL 130          3HG2      VAL 130   7.553   4.683   4.683
  528   3HG1  VAL 130          2HG2      VAL 130   6.302   3.450   3.450
  529   1HG2  VAL 130          3HG1      VAL 130   5.845   7.291   7.291
  530   2HG2  VAL 130          2HG1      VAL 130   4.929   6.390   6.390
  531   3HG2  VAL 130          1HG1      VAL 130   6.684   6.510   6.510
  532    H    VAL 131           H        VAL 131   7.315   7.731   7.731
  533    HA   VAL 131           HA       VAL 131  10.065   7.417   7.417
  534    HB   VAL 131           HB       VAL 131   9.146   8.965   8.965
  535   1HG1  VAL 131          3HG1      VAL 131  11.534   9.145   9.145
  536   2HG1  VAL 131          2HG1      VAL 131  11.922   8.617   8.617
  537   3HG1  VAL 131          1HG1      VAL 131  11.034  10.119  10.119
  538   1HG2  VAL 131          2HG2      VAL 131  10.589   6.343   6.343
  539   2HG2  VAL 131          1HG2      VAL 131   9.061   6.658   6.658
  540   3HG2  VAL 131          3HG2      VAL 131  10.570   7.269   7.269
  541    H    ASP 132           H        ASP 132  10.579   8.759   8.759
  542    HA   ASP 132           HA       ASP 132   8.953  10.757  10.757
  543   1HB   ASP 132          2HB       ASP 132  10.749   9.769   9.769
  544   2HB   ASP 132          1HB       ASP 132  11.956  10.462  10.462
  545    H    ASP 133           H        ASP 133   8.948  12.999  12.999
  546    HA   ASP 133           HA       ASP 133   9.957  14.076  14.076
  547   1HB   ASP 133          1HB       ASP 133   7.766  14.766  14.766
  548   2HB   ASP 133          2HB       ASP 133   8.535  16.117  16.117
  549    H    GLU 134           H        GLU 134  11.593  13.577  13.577
  550    HA   GLU 134           HA       GLU 134  12.725  16.289  16.289
  551   1HB   GLU 134          1HB       GLU 134  11.516  15.444  15.444
  552   2HB   GLU 134          2HB       GLU 134  12.830  14.286  14.286
  553   1HG   GLU 134          1HG       GLU 134  13.062  16.363  16.363
  554   2HG   GLU 134          2HG       GLU 134  14.427  16.000  16.000
  555    H    THR 135           H        THR 135  13.337  12.815  12.815
  556    HA   THR 135           HA       THR 135  16.163  13.323  13.323
  557    HB   THR 135           HB       THR 135  16.537  10.987  10.987
  558    HG1  THR 135          1HG       THR 135  14.879   9.835   9.835
  559   1HG2  THR 135          2HG2      THR 135  16.834  13.037  13.037
  560   2HG2  THR 135          1HG2      THR 135  15.245  12.680  12.680
  561   3HG2  THR 135          3HG2      THR 135  16.559  11.517  11.517
  562    H    LYS 136           H        LYS 136  13.226  11.834  11.834
  563    HA   LYS 136           HA       LYS 136  12.623  10.877  10.877
  564   1HB   LYS 136          2HB       LYS 136  15.073  12.317  12.317
  565   2HB   LYS 136          1HB       LYS 136  14.859  10.892  10.892
  566   1HG   LYS 136          1HG       LYS 136  13.881  12.764  12.764
  567   2HG   LYS 136          2HG       LYS 136  12.583  11.699  11.699
  568   1HD   LYS 136          2HD       LYS 136  11.790  13.204  13.204
  569   2HD   LYS 136          1HD       LYS 136  13.393  13.839  13.839
  570   1HE   LYS 136          1HE       LYS 136  12.749  14.449  14.449
  571   2HE   LYS 136          2HE       LYS 136  11.416  14.956  14.956
  572   1HZ   LYS 136          2HZ       LYS 136  13.389  15.917  15.917
  573   2HZ   LYS 136          1HZ       LYS 136  14.176  15.921  15.921
  574   3HZ   LYS 136          3HZ       LYS 136  12.736  16.785  16.785
  575    H    GLY 137           H        GLY 137  14.036   9.439   9.439
  576   1HA   GLY 137          1HA       GLY 137  15.502   7.331   7.331
  577   2HA   GLY 137          2HA       GLY 137  15.157   7.429   7.429
  578    H    LEU 138           H        LEU 138  14.628   5.598   5.598
  579    HA   LEU 138           HA       LEU 138  11.864   5.076   5.076
  580   1HB   LEU 138          1HB       LEU 138  13.409   4.386   4.386
  581   2HB   LEU 138          2HB       LEU 138  14.128   3.211   3.211
  582    HG   LEU 138           HG       LEU 138  12.150   1.886   1.886
  583   1HD1  LEU 138          3HD1      LEU 138  10.852   4.239   4.239
  584   2HD1  LEU 138          2HD1      LEU 138  10.133   2.628   2.628
  585   3HD1  LEU 138          1HD1      LEU 138  10.422   3.481   3.481
  586   1HD2  LEU 138          2HD2      LEU 138  12.872   2.875   2.875
  587   2HD2  LEU 138          1HD2      LEU 138  13.413   1.409   1.409
  588   3HD2  LEU 138          3HD2      LEU 138  11.746   1.544   1.544
  589    H    ILE 139           H        ILE 139  10.670   4.253   4.253
  590    HA   ILE 139           HA       ILE 139  11.940   2.727   2.727
  591    HB   ILE 139           HB       ILE 139   9.027   3.415   3.415
  592   1HG1  ILE 139          2HG1      ILE 139  11.284   5.275   5.275
  593   2HG1  ILE 139          1HG1      ILE 139  10.183   5.499   5.499
  594   1HG2  ILE 139          3HG2      ILE 139  10.966   2.415   2.415
  595   2HG2  ILE 139          2HG2      ILE 139  10.084   3.812   3.812
  596   3HG2  ILE 139          1HG2      ILE 139   9.204   2.388   2.388
  597   1HD1  ILE 139          2HD1      ILE 139   8.890   5.184   5.184
  598   2HD1  ILE 139          1HD1      ILE 139   9.869   6.638   6.638
  599   3HD1  ILE 139          3HD1      ILE 139   8.548   6.306   6.306
  600    H    VAL 140           H        VAL 140   9.166   2.411   2.411
  601    HA   VAL 140           HA       VAL 140   9.377  -0.510  -0.510
  602    HB   VAL 140           HB       VAL 140   6.841   0.939   0.939
  603   1HG1  VAL 140          3HG1      VAL 140   7.652  -1.850  -1.850
  604   2HG1  VAL 140          2HG1      VAL 140   6.173  -1.432  -1.432
  605   3HG1  VAL 140          1HG1      VAL 140   6.284  -1.158  -1.158
  606   1HG2  VAL 140          1HG2      VAL 140   8.099   0.908   0.908
  607   2HG2  VAL 140          3HG2      VAL 140   6.498   1.516   1.516
  608   3HG2  VAL 140          2HG2      VAL 140   6.699  -0.161  -0.161
  609    H    ASP 141           H        ASP 141   9.960  -1.557  -1.557
  610    HA   ASP 141           HA       ASP 141   9.481  -0.252  -0.252
  611   1HB   ASP 141          1HB       ASP 141  11.478  -1.707  -1.707
  612   2HB   ASP 141          2HB       ASP 141  11.813  -0.294  -0.294
  613    H    GLN 142           H        GLN 142   7.345  -1.473  -1.473
  614    HA   GLN 142           HA       GLN 142   7.586  -4.247  -4.247
  615   1HB   GLN 142          2HB       GLN 142   5.830  -2.942  -2.942
  616   2HB   GLN 142          1HB       GLN 142   4.971  -3.958  -3.958
  617   1HG   GLN 142          1HG       GLN 142   5.427  -5.582  -5.582
  618   2HG   GLN 142          2HG       GLN 142   7.001  -5.600  -5.600
  619   1HE2  GLN 142          1HE2      GLN 142   8.750  -4.212  -4.212
  620   2HE2  GLN 142          2HE2      GLN 142   8.748  -4.502  -4.502
  621    H    THR 143           H        THR 143   5.740  -4.962  -4.962
  622    HA   THR 143           HA       THR 143   5.099  -2.801  -2.801
  623    HB   THR 143           HB       THR 143   6.617  -4.740  -4.740
  624    HG1  THR 143          1HG       THR 143   4.322  -4.105  -4.105
  625   1HG2  THR 143          1HG2      THR 143   5.166  -6.547  -6.547
  626   2HG2  THR 143          3HG2      THR 143   3.998  -6.140  -6.140
  627   3HG2  THR 143          2HG2      THR 143   5.602  -6.717  -6.717
  628    H    ILE 144           H        ILE 144   3.648  -4.406  -4.406
  629    HA   ILE 144           HA       ILE 144   1.497  -4.671  -4.671
  630    HB   ILE 144           HB       ILE 144   1.286  -2.555  -2.555
  631   1HG1  ILE 144          1HG1      ILE 144  -1.044  -4.177  -4.177
  632   2HG1  ILE 144          2HG1      ILE 144  -0.090  -3.012  -3.012
  633   1HG2  ILE 144          2HG2      ILE 144   0.626  -4.495  -4.495
  634   2HG2  ILE 144          1HG2      ILE 144  -0.917  -3.812  -3.812
  635   3HG2  ILE 144          3HG2      ILE 144   0.352  -2.758  -2.758
  636   1HD1  ILE 144          3HD1      ILE 144  -0.871  -1.307  -1.307
  637   2HD1  ILE 144          2HD1      ILE 144  -2.083  -2.515  -2.515
  638   3HD1  ILE 144          1HD1      ILE 144  -2.030  -1.861  -1.861
  639    H    GLU 145           H        GLU 145   2.861  -6.358  -6.358
  640    HA   GLU 145           HA       GLU 145   0.532  -8.119  -8.119
  641   1HB   GLU 145          2HB       GLU 145   1.184  -7.345  -7.345
  642   2HB   GLU 145          1HB       GLU 145   2.886  -7.626  -7.626
  643   1HG   GLU 145          1HG       GLU 145   2.561  -9.994  -9.994
  644   2HG   GLU 145          2HG       GLU 145   0.818  -9.789  -9.789
  645    H    LYS 146           H        LYS 146   3.968  -7.900  -7.900
  646    HA   LYS 146           HA       LYS 146   4.185 -10.720 -10.720
  647   1HB   LYS 146          2HB       LYS 146   6.032  -9.105  -9.105
  648   2HB   LYS 146          1HB       LYS 146   6.263  -8.692  -8.692
  649   1HG   LYS 146          1HG       LYS 146   7.706 -10.393 -10.393
  650   2HG   LYS 146          2HG       LYS 146   6.267 -11.410 -11.410
  651   1HD   LYS 146          2HD       LYS 146   6.886 -10.632 -10.632
  652   2HD   LYS 146          1HD       LYS 146   8.216 -11.504 -11.504
  653   1HE   LYS 146          1HE       LYS 146   6.742 -13.335 -13.335
  654   2HE   LYS 146          2HE       LYS 146   5.355 -12.452 -12.452
  655   1HZ   LYS 146          1HZ       LYS 146   7.656 -13.014 -13.014
  656   2HZ   LYS 146          3HZ       LYS 146   6.517 -14.229 -14.229
  657   3HZ   LYS 146          2HZ       LYS 146   6.033 -12.772 -12.772
  658    H    VAL 147           H        VAL 147   3.708  -7.650  -7.650
  659    HA   VAL 147           HA       VAL 147   4.306  -8.204  -8.204
  660    HB   VAL 147           HB       VAL 147   3.537  -5.992  -5.992
  661   1HG1  VAL 147          2HG2      VAL 147   1.617  -6.769  -6.769
  662   2HG1  VAL 147          1HG2      VAL 147   0.793  -7.211  -7.211
  663   3HG1  VAL 147          3HG2      VAL 147   1.155  -5.517  -5.517
  664   1HG2  VAL 147          3HG1      VAL 147   3.660  -6.571  -6.571
  665   2HG2  VAL 147          2HG1      VAL 147   2.555  -5.258  -5.258
  666   3HG2  VAL 147          1HG1      VAL 147   1.923  -6.867  -6.867
  667    H    SER 148           H        SER 148   2.712  -8.617  -8.617
  668    HA   SER 148           HA       SER 148   1.538 -11.107 -11.107
  669   1HB   SER 148          1HB       SER 148   0.941  -8.851  -8.851
  670   2HB   SER 148          2HB       SER 148   0.292 -10.482 -10.482
  671    HG   SER 148           HG       SER 148   2.087 -10.756 -10.756
  672    H    PHE 149           H        PHE 149  -0.042  -7.911  -7.911
  673    HA   PHE 149           HA       PHE 149  -1.700  -8.023  -8.023
  674   1HB   PHE 149          1HB       PHE 149  -3.918  -8.955  -8.955
  675   2HB   PHE 149          2HB       PHE 149  -2.723 -10.070 -10.070
  676    HD1  PHE 149           HD1      PHE 149  -2.903  -8.436  -8.436
  677    HD2  PHE 149           HD2      PHE 149  -3.016 -12.047 -12.047
  678    HE1  PHE 149           HE1      PHE 149  -2.943  -9.715  -9.715
  679    HE2  PHE 149           HE2      PHE 149  -3.055 -13.341 -13.341
  680    HZ   PHE 149           HZ       PHE 149  -3.019 -12.176 -12.176
  681    H    CYS 150           H        CYS 150  -1.271  -7.120  -7.120
  682    HA   CYS 150           HA       CYS 150  -1.596  -5.029  -5.029
  683   1HB   CYS 150          1HB       CYS 150  -2.544  -3.302  -3.302
  684   2HB   CYS 150          2HB       CYS 150  -2.353  -4.384  -4.384
  685    HG   CYS 150           HG       CYS 150  -4.736  -3.611  -3.611
  686    H    ALA 151           H        ALA 151  -3.522  -3.896  -3.896
  687    HA   ALA 151           HA       ALA 151  -5.952  -5.003  -5.003
  688   1HB   ALA 151          1HB       ALA 151  -3.926  -6.794  -6.794
  689   2HB   ALA 151          3HB       ALA 151  -4.827  -6.180  -6.180
  690   3HB   ALA 151          2HB       ALA 151  -5.681  -6.973  -6.973
  691    HA   PRO 152           HA       PRO 152  -5.264  -1.265  -1.265
  692   1HB   PRO 152          2HB       PRO 152  -7.892  -0.594  -0.594
  693   2HB   PRO 152          1HB       PRO 152  -6.893  -0.220  -0.220
  694   1HG   PRO 152          1HG       PRO 152  -8.834  -2.462  -2.462
  695   2HG   PRO 152          2HG       PRO 152  -8.590  -1.439  -1.439
  696   1HD   PRO 152          2HD       PRO 152  -7.578  -3.942  -3.942
  697   2HD   PRO 152          1HD       PRO 152  -6.756  -2.645  -2.645
  698    H    ASP 153           H        ASP 153  -5.281  -1.002  -1.002
  699    HA   ASP 153           HA       ASP 153  -5.670  -3.031  -3.031
  700   1HB   ASP 153          2HB       ASP 153  -6.199  -1.034  -1.034
  701   2HB   ASP 153          1HB       ASP 153  -4.588  -1.307  -1.307
  702    H    ARG 154           H        ARG 154  -7.909  -0.333  -0.333
  703    HA   ARG 154           HA       ARG 154 -10.208  -2.075  -2.075
  704   1HB   ARG 154          1HB       ARG 154  -9.871  -0.625  -0.625
  705   2HB   ARG 154          2HB       ARG 154 -11.068  -1.842  -1.842
  706   1HG   ARG 154          2HG       ARG 154  -9.289  -3.531  -3.531
  707   2HG   ARG 154          1HG       ARG 154  -8.114  -2.302  -2.302
  708   1HD   ARG 154          1HD       ARG 154  -9.857  -1.981  -1.981
  709   2HD   ARG 154          2HD       ARG 154 -10.199  -3.668  -3.668
  710    HE   ARG 154           HE       ARG 154  -7.403  -3.163  -3.163
  711   1HH1  ARG 154          1HH1      ARG 154 -10.337  -3.756  -3.756
  712   2HH1  ARG 154          2HH1      ARG 154  -9.522  -4.418  -4.418
  713   1HH2  ARG 154          2HH2      ARG 154  -6.318  -4.033  -4.033
  714   2HH2  ARG 154          1HH2      ARG 154  -7.237  -4.576  -4.576
  715    H    ASN 155           H        ASN 155  -9.020   0.465   0.465
  716    HA   ASN 155           HA       ASN 155  -9.644   2.574   2.574
  717   1HB   ASN 155          1HB       ASN 155 -12.393   1.318   1.318
  718   2HB   ASN 155          2HB       ASN 155 -11.874   2.685   2.685
  719   1HD2  ASN 155          2HD2      ASN 155 -10.836   0.713   0.713
  720   2HD2  ASN 155          1HD2      ASN 155 -11.347   2.246   2.246
  721    H    HIS 156           H        HIS 156  -9.470   2.233   2.233
  722    HA   HIS 156           HA       HIS 156 -11.701   3.762   3.762
  723   1HB   HIS 156          2HB       HIS 156 -10.811   3.288   3.288
  724   2HB   HIS 156          1HB       HIS 156 -10.724   1.798   1.798
  725    HD1  HIS 156           HD1      HIS 156  -8.386   0.828   0.828
  726    HD2  HIS 156           HD2      HIS 156  -8.334   4.512   4.512
  727    HE1  HIS 156           HE1      HIS 156  -6.005   1.192   1.192
  728    H    GLU 157           H        GLU 157  -8.550   4.311   4.311
  729    HA   GLU 157           HA       GLU 157  -8.834   7.097   7.097
  730   1HB   GLU 157          2HB       GLU 157  -6.569   5.304   5.304
  731   2HB   GLU 157          1HB       GLU 157  -6.207   6.979   6.979
  732   1HG   GLU 157          2HG       GLU 157  -8.422   6.556   6.556
  733   2HG   GLU 157          1HG       GLU 157  -6.814   6.121   6.121
  734    H    ARG 158           H        ARG 158  -8.838   5.254   5.254
  735    HA   ARG 158           HA       ARG 158  -8.377   5.561   5.561
  736   1HB   ARG 158          2HB       ARG 158  -7.033   8.156   8.156
  737   2HB   ARG 158          1HB       ARG 158  -7.818   7.726   7.726
  738   1HG   ARG 158          1HG       ARG 158  -9.098   8.360   8.360
  739   2HG   ARG 158          2HG       ARG 158  -9.272   9.215   9.215
  740   1HD   ARG 158          2HD       ARG 158 -11.061   7.990   7.990
  741   2HD   ARG 158          1HD       ARG 158 -10.037   6.555   6.555
  742    HE   ARG 158           HE       ARG 158 -11.053   5.914   5.914
  743   1HH1  ARG 158          1HH1      ARG 158 -11.137   9.392   9.392
  744   2HH1  ARG 158          2HH1      ARG 158 -12.005   9.572   9.572
  745   1HH2  ARG 158          1HH2      ARG 158 -12.196   6.138   6.138
  746   2HH2  ARG 158          2HH2      ARG 158 -12.609   7.721   7.721
  747    H    GLY 159           H        GLY 159  -6.708   3.888   3.888
  748   1HA   GLY 159          1HA       GLY 159  -4.076   4.589   4.589
  749   2HA   GLY 159          2HA       GLY 159  -4.211   3.809   3.809
  750    H    PHE 160           H        PHE 160  -2.910   2.957   2.957
  751    HA   PHE 160           HA       PHE 160  -4.405   0.464   0.464
  752   1HB   PHE 160          1HB       PHE 160  -2.823   2.231   2.231
  753   2HB   PHE 160          2HB       PHE 160  -2.589   0.504   0.504
  754    HD1  PHE 160           HD2      PHE 160  -5.730   2.118   2.118
  755    HD2  PHE 160           HD1      PHE 160  -3.602   0.272   0.272
  756    HE1  PHE 160           HE2      PHE 160  -7.801   2.033   2.033
  757    HE2  PHE 160           HE1      PHE 160  -5.668   0.185   0.185
  758    HZ   PHE 160           HZ       PHE 160  -7.771   1.066   1.066
  759    H    SER 161           H        SER 161  -2.607  -1.231  -1.231
  760    HA   SER 161           HA       SER 161  -0.103  -1.218  -1.218
  761   1HB   SER 161          2HB       SER 161  -2.412  -2.558  -2.558
  762   2HB   SER 161          1HB       SER 161  -0.874  -3.420  -3.420
  763    HG   SER 161           HG       SER 161  -0.010  -1.306  -1.306
  764    H    TYR 162           H        TYR 162   0.995  -2.017  -2.017
  765    HA   TYR 162           HA       TYR 162  -0.071  -4.172  -4.172
  766   1HB   TYR 162          2HB       TYR 162   2.600  -2.756  -2.756
  767   2HB   TYR 162          1HB       TYR 162   1.960  -3.878  -3.878
  768    HD1  TYR 162           HD2      TYR 162  -0.616  -3.164  -3.164
  769    HD2  TYR 162           HD1      TYR 162   2.512  -0.552  -0.552
  770    HE1  TYR 162           HE2      TYR 162  -1.725  -1.303  -1.303
  771    HE2  TYR 162           HE1      TYR 162   1.414   1.317   1.317
  772    HH   TYR 162           HH2      TYR 162  -0.649   1.984   1.984
  773    H    ILE 163           H        ILE 163   2.002  -5.705  -5.705
  774    HA   ILE 163           HA       ILE 163   3.577  -6.639  -6.639
  775    HB   ILE 163           HB       ILE 163   2.257  -9.021  -9.021
  776   1HG1  ILE 163          1HG1      ILE 163   0.029  -7.200  -7.200
  777   2HG1  ILE 163          2HG1      ILE 163   0.402  -7.334  -7.334
  778   1HG2  ILE 163          1HG2      ILE 163   2.473  -7.027  -7.027
  779   2HG2  ILE 163          3HG2      ILE 163   1.246  -8.279  -8.279
  780   3HG2  ILE 163          2HG2      ILE 163   2.937  -8.729  -8.729
  781   1HD1  ILE 163          3HD1      ILE 163   0.326  -9.953  -9.953
  782   2HD1  ILE 163          2HD1      ILE 163  -1.092  -9.100  -9.100
  783   3HD1  ILE 163          1HD1      ILE 163  -0.792  -9.184  -9.184
  784    H    CYS 164           H        CYS 164   5.290  -7.741  -7.741
  785    HA   CYS 164           HA       CYS 164   5.068  -8.901  -8.901
  786   1HB   CYS 164          2HB       CYS 164   6.155  -6.762  -6.762
  787   2HB   CYS 164          1HB       CYS 164   7.277  -7.108  -7.108
  788    HG   CYS 164           HG       CYS 164   8.768  -8.081  -8.081
  789    H    ARG 165           H        ARG 165   6.653 -10.532 -10.532
  790    HA   ARG 165           HA       ARG 165   7.657 -11.852 -11.852
  791   1HB   ARG 165          1HB       ARG 165   7.559 -13.944 -13.944
  792   2HB   ARG 165          2HB       ARG 165   6.064 -13.318 -13.318
  793   1HG   ARG 165          1HG       ARG 165   5.331 -12.489 -12.489
  794   2HG   ARG 165          2HG       ARG 165   6.957 -12.451 -12.451
  795   1HD   ARG 165          2HD       ARG 165   5.532 -14.256 -14.256
  796   2HD   ARG 165          1HD       ARG 165   7.008 -14.843 -14.843
  797    HE   ARG 165           HE       ARG 165   5.198 -15.005 -15.005
  798   1HH1  ARG 165          1HH2      ARG 165   5.203 -16.124 -16.124
  799   2HH1  ARG 165          2HH2      ARG 165   4.192 -17.492 -17.492
  800   1HH2  ARG 165          2HH1      ARG 165   3.867 -16.805 -16.805
  801   2HH2  ARG 165          1HH1      ARG 165   3.432 -17.880 -17.880
  802    H    ASP 166           H        ASP 166   9.617 -10.610 -10.610
  803    HA   ASP 166           HA       ASP 166  11.770 -10.233 -10.233
  804   1HB   ASP 166          2HB       ASP 166  11.486 -12.899 -12.899
  805   2HB   ASP 166          1HB       ASP 166  12.037 -12.878 -12.878
  806    H    GLY 167           H        GLY 167  13.266 -11.244 -11.244
  807   1HA   GLY 167          1HA       GLY 167  13.269 -11.272 -11.272
  808   2HA   GLY 167          2HA       GLY 167  11.752 -10.385 -10.385
  809    H    THR 168           H        THR 168  12.966  -8.603  -8.603
  810    HA   THR 168           HA       THR 168  15.115  -7.217  -7.217
  811    HB   THR 168           HB       THR 168  13.753  -5.066  -5.066
  812    HG1  THR 168          1HG       THR 168  11.899  -5.739  -5.739
  813   1HG2  THR 168          1HG2      THR 168  14.411  -6.697  -6.697
  814   2HG2  THR 168          3HG2      THR 168  12.684  -7.056  -7.056
  815   3HG2  THR 168          2HG2      THR 168  13.244  -5.406  -5.406
  816    H    THR 169           H        THR 169  12.486  -7.052  -7.052
  817    HA   THR 169           HA       THR 169  13.728  -5.140  -5.140
  818    HB   THR 169           HB       THR 169  11.970  -6.901  -6.901
  819    HG1  THR 169          1HG       THR 169  10.153  -6.688  -6.688
  820   1HG2  THR 169          3HG2      THR 169  11.623  -4.093  -4.093
  821   2HG2  THR 169          2HG2      THR 169  10.516  -4.918  -4.918
  822   3HG2  THR 169          1HG2      THR 169  12.176  -4.591  -4.591
  823    H    ARG 170           H        ARG 170  12.987  -8.484  -8.484
  824    HA   ARG 170           HA       ARG 170  15.585  -9.345  -9.345
  825   1HB   ARG 170          2HB       ARG 170  15.150  -9.180  -9.180
  826   2HB   ARG 170          1HB       ARG 170  16.125  -8.033  -8.033
  827   1HG   ARG 170          1HG       ARG 170  14.543  -6.387  -6.387
  828   2HG   ARG 170          2HG       ARG 170  13.208  -7.531  -7.531
  829   1HD   ARG 170          2HD       ARG 170  13.787  -6.204  -6.204
  830   2HD   ARG 170          1HD       ARG 170  13.715  -7.956  -7.956
  831    HE   ARG 170           HE       ARG 170  15.914  -7.926  -7.926
  832   1HH1  ARG 170          1HH1      ARG 170  15.205  -5.011  -5.011
  833   2HH1  ARG 170          2HH1      ARG 170  16.779  -4.329  -4.329
  834   1HH2  ARG 170          1HH2      ARG 170  17.988  -7.036  -7.036
  835   2HH2  ARG 170          2HH2      ARG 170  18.360  -5.480  -5.480
  836    H    ARG 171           H        ARG 171  12.282  -9.365  -9.365
  837    HA   ARG 171           HA       ARG 171  11.979 -12.158 -12.158
  838   1HB   ARG 171          1HB       ARG 171  11.754 -12.949 -12.949
  839   2HB   ARG 171          2HB       ARG 171  13.311 -12.144 -12.144
  840   1HG   ARG 171          2HG       ARG 171  12.775 -10.625 -10.625
  841   2HG   ARG 171          1HG       ARG 171  11.173 -10.360 -10.360
  842   1HD   ARG 171          2HD       ARG 171  11.034 -11.239 -11.239
  843   2HD   ARG 171          1HD       ARG 171  10.339 -12.356 -12.356
  844    HE   ARG 171           HE       ARG 171  11.991 -13.872 -13.872
  845   1HH1  ARG 171          1HH1      ARG 171  12.796 -10.772 -10.772
  846   2HH1  ARG 171          2HH1      ARG 171  14.121 -11.381 -11.381
  847   1HH2  ARG 171          1HH2      ARG 171  13.733 -14.688 -14.688
  848   2HH2  ARG 171          2HH2      ARG 171  14.653 -13.609 -13.609
  849    H    TRP 172           H        TRP 172   9.887 -12.392 -12.392
  850    HA   TRP 172           HA       TRP 172   7.717 -11.286 -11.286
  851   1HB   TRP 172          1HB       TRP 172   7.545 -12.162 -12.162
  852   2HB   TRP 172          2HB       TRP 172   6.309 -12.254 -12.254
  853    HD1  TRP 172           HD1      TRP 172   7.158 -14.795 -14.795
  854    HE1  TRP 172           HE1      TRP 172   8.077 -16.876 -16.876
  855    HE3  TRP 172           HE3      TRP 172   8.676 -12.612 -12.612
  856    HZ2  TRP 172          2HZ       TRP 172   9.284 -17.511 -17.511
  857    HZ3  TRP 172           HZ3      TRP 172   9.701 -14.027 -14.027
  858    HH2  TRP 172           HH2      TRP 172   9.999 -16.426 -16.426
  859    H    MET 173           H        MET 173   8.587  -9.079  -9.079
  860    HA   MET 173           HA       MET 173   8.474  -7.559  -7.559
  861   1HB   MET 173          1HB       MET 173   9.053  -6.614  -6.614
  862   2HB   MET 173          2HB       MET 173   9.316  -5.703  -5.703
  863   1HG   MET 173          1HG       MET 173  10.792  -8.121  -8.121
  864   2HG   MET 173          2HG       MET 173  11.420  -6.506  -6.506
  865   1HE   MET 173          3HE       MET 173  11.327  -5.404  -5.404
  866   2HE   MET 173          2HE       MET 173   9.874  -6.048  -6.048
  867   3HE   MET 173          1HE       MET 173  11.449  -6.260  -6.260
  868    H    CYS 174           H        CYS 174   6.681  -6.688  -6.688
  869    HA   CYS 174           HA       CYS 174   4.370  -6.350  -6.350
  870   1HB   CYS 174          2HB       CYS 174   4.940  -6.338  -6.338
  871   2HB   CYS 174          1HB       CYS 174   3.773  -5.113  -5.113
  872    HG   CYS 174           HG       CYS 174   2.687  -7.508  -7.508
  873    H    HIS 175           H        HIS 175   3.200  -4.208  -4.208
  874    HA   HIS 175           HA       HIS 175   5.097  -1.962  -1.962
  875   1HB   HIS 175          2HB       HIS 175   3.089  -2.568  -2.568
  876   2HB   HIS 175          1HB       HIS 175   4.064  -1.105  -1.105
  877    HD1  HIS 175           HD1      HIS 175   6.616  -1.352  -1.352
  878    HD2  HIS 175           HD2      HIS 175   4.385  -4.830  -4.830
  879    HE1  HIS 175           HE1      HIS 175   8.069  -2.970  -2.970
  880    H    GLY 176           H        GLY 176   4.416  -0.388  -0.388
  881   1HA   GLY 176          1HA       GLY 176   1.507  -0.096  -0.096
  882   2HA   GLY 176          2HA       GLY 176   2.709   0.221   0.221
  883    H    PHE 177           H        PHE 177   0.727   1.620   1.620
  884    HA   PHE 177           HA       PHE 177   2.108   4.170   4.170
  885   1HB   PHE 177          1HB       PHE 177   1.954   4.733   4.733
  886   2HB   PHE 177          2HB       PHE 177   2.869   3.243   3.243
  887    HD1  PHE 177           HD1      PHE 177   1.094   1.101   1.101
  888    HD2  PHE 177           HD2      PHE 177   0.670   4.769   4.769
  889    HE1  PHE 177           HE1      PHE 177  -0.395  -0.005  -0.005
  890    HE2  PHE 177           HE2      PHE 177  -0.821   3.671   3.671
  891    HZ   PHE 177           HZ       PHE 177  -1.355   1.279   1.279
  892    H    LEU 178           H        LEU 178   0.705   6.022   6.022
  893    HA   LEU 178           HA       LEU 178  -2.155   5.379   5.379
  894   1HB   LEU 178          1HB       LEU 178  -1.283   7.683   7.683
  895   2HB   LEU 178          2HB       LEU 178  -2.602   6.559   6.559
  896    HG   LEU 178           HG       LEU 178   0.255   5.718   5.718
  897   1HD1  LEU 178          2HD1      LEU 178  -0.593   7.817   7.817
  898   2HD1  LEU 178          1HD1      LEU 178  -1.409   6.580   6.580
  899   3HD1  LEU 178          3HD1      LEU 178   0.346   6.542   6.542
  900   1HD2  LEU 178          1HD2      LEU 178  -2.342   4.507   4.507
  901   2HD2  LEU 178          3HD2      LEU 178  -0.742   3.772   3.772
  902   3HD2  LEU 178          2HD2      LEU 178  -1.479   4.495   4.495
  903    H    ALA 179           H        ALA 179  -3.349   6.578   6.578
  904    HA   ALA 179           HA       ALA 179  -2.332   8.159   8.159
  905   1HB   ALA 179          3HB       ALA 179  -4.657   7.207   7.207
  906   2HB   ALA 179          2HB       ALA 179  -5.066   8.607   8.607
  907   3HB   ALA 179          1HB       ALA 179  -4.542   8.831   8.831
  908    H    CYS 180           H        CYS 180  -1.867  10.275  10.275
  909    HA   CYS 180           HA       CYS 180  -1.191  11.867  11.867
  910   1HB   CYS 180          2HB       CYS 180  -0.813  11.937  11.937
  911   2HB   CYS 180          1HB       CYS 180  -1.388  13.511  13.511
  912    HG   CYS 180           HG       CYS 180   0.907  12.639  12.639
  913    H    LYS 181           H        LYS 181  -3.677  12.355  12.355
  914    HA   LYS 181           HA       LYS 181  -4.896  14.584  14.584
  915   1HB   LYS 181          1HB       LYS 181  -6.340  12.485  12.485
  916   2HB   LYS 181          2HB       LYS 181  -6.744  14.189  14.189
  917   1HG   LYS 181          1HG       LYS 181  -4.333  13.035  13.035
  918   2HG   LYS 181          2HG       LYS 181  -5.753  13.750  13.750
  919   1HD   LYS 181          1HD       LYS 181  -4.362  15.442  15.442
  920   2HD   LYS 181          2HD       LYS 181  -3.476  15.105  15.105
  921   1HE   LYS 181          2HE       LYS 181  -4.687  16.619  16.619
  922   2HE   LYS 181          1HE       LYS 181  -6.160  15.732  15.732
  923   1HZ   LYS 181          3HZ       LYS 181  -4.924  17.569  17.569
  924   2HZ   LYS 181          2HZ       LYS 181  -5.980  18.143  18.143
  925   3HZ   LYS 181          1HZ       LYS 181  -6.517  17.004  17.004
  926    H    ASP 182           H        ASP 182  -5.283  11.158  11.158
  927    HA   ASP 182           HA       ASP 182  -6.287   9.996   9.996
  928   1HB   ASP 182          1HB       ASP 182  -5.221  11.916  11.916
  929   2HB   ASP 182          2HB       ASP 182  -6.846  12.592  12.592
  930    H    SER 183           H        SER 183  -7.931   9.816   9.816
  931    HA   SER 183           HA       SER 183 -10.519  10.060  10.060
  932   1HB   SER 183          2HB       SER 183  -9.797  12.412  12.412
  933   2HB   SER 183          1HB       SER 183 -10.438  11.630  11.630
  934    HG   SER 183           HG       SER 183 -11.847  11.764  11.764
  935    H    GLY 184           H        GLY 184  -8.707   8.124   8.124
  936   1HA   GLY 184          2HA       GLY 184  -8.722   6.554   6.554
  937   2HA   GLY 184          1HA       GLY 184 -10.335   6.324   6.324
  938    H    GLU 185           H        GLU 185  -9.193   9.125   9.125
  939    HA   GLU 185           HA       GLU 185 -10.645   8.214   8.214
  940   1HB   GLU 185          2HB       GLU 185 -11.595  10.323  10.323
  941   2HB   GLU 185          1HB       GLU 185 -11.630  10.742  10.742
  942   1HG   GLU 185          2HG       GLU 185 -13.341   9.369   9.369
  943   2HG   GLU 185          1HG       GLU 185 -12.709   8.093   8.093
  944    H    ARG 186           H        ARG 186  -7.846   8.985   8.985
  945    HA   ARG 186           HA       ARG 186  -7.266  10.500  10.500
  946   1HB   ARG 186          2HB       ARG 186  -7.108  11.687  11.687
  947   2HB   ARG 186          1HB       ARG 186  -5.708  11.954  11.954
  948   1HG   ARG 186          2HG       ARG 186  -8.212  12.431  12.431
  949   2HG   ARG 186          1HG       ARG 186  -8.014  13.452  13.452
  950   1HD   ARG 186          1HD       ARG 186  -5.528  13.522  13.522
  951   2HD   ARG 186          2HD       ARG 186  -6.645  13.541  13.541
  952    HE   ARG 186           HE       ARG 186  -7.384  15.402  15.402
  953   1HH1  ARG 186          2HH1      ARG 186  -5.282  14.895  14.895
  954   2HH1  ARG 186          1HH1      ARG 186  -5.117  16.583  16.583
  955   1HH2  ARG 186          1HH2      ARG 186  -7.174  17.628  17.628
  956   2HH2  ARG 186          2HH2      ARG 186  -6.192  18.137  18.137
  957    H    LEU 187           H        LEU 187  -6.682   7.853   7.853
  958    HA   LEU 187           HA       LEU 187  -4.118   7.432   7.432
  959   1HB   LEU 187          2HB       LEU 187  -3.131   8.692   8.692
  960   2HB   LEU 187          1HB       LEU 187  -4.302   8.188   8.188
  961    HG   LEU 187           HG       LEU 187  -2.289   6.254   6.254
  962   1HD1  LEU 187          3HD2      LEU 187  -1.771   8.555   8.555
  963   2HD1  LEU 187          2HD2      LEU 187  -1.436   7.067   7.067
  964   3HD1  LEU 187          1HD2      LEU 187  -0.646   7.369   7.369
  965   1HD2  LEU 187          2HD1      LEU 187  -4.465   6.078   6.078
  966   2HD2  LEU 187          1HD1      LEU 187  -3.270   4.834   4.834
  967   3HD2  LEU 187          3HD1      LEU 187  -2.999   5.935   5.935
  968    H    SER 188           H        SER 188  -6.506   6.544   6.544
  969    HA   SER 188           HA       SER 188  -5.807   3.790   3.790
  970   1HB   SER 188          2HB       SER 188  -8.346   5.254   5.254
  971   2HB   SER 188          1HB       SER 188  -8.073   3.540   3.540
  972    HG   SER 188           HG       SER 188  -6.140   4.260   4.260
  973    H    HIS 189           H        HIS 189  -8.812   5.229   5.229
  974    HA   HIS 189           HA       HIS 189  -9.577   3.024   3.024
  975   1HB   HIS 189          2HB       HIS 189 -11.063   4.934   4.934
  976   2HB   HIS 189          1HB       HIS 189 -10.161   5.939   5.939
  977    HD1  HIS 189           HD1      HIS 189 -10.248   5.000   5.000
  978    HD2  HIS 189           HD2      HIS 189 -13.158   3.653   3.653
  979    HE1  HIS 189           HE1      HIS 189 -12.126   4.079   4.079
  980    H    ALA 190           H        ALA 190  -7.276   5.547   5.547
  981    HA   ALA 190           HA       ALA 190  -7.032   5.373   5.373
  982   1HB   ALA 190          2HB       ALA 190  -5.806   6.816   6.816
  983   2HB   ALA 190          1HB       ALA 190  -4.501   5.794   5.794
  984   3HB   ALA 190          3HB       ALA 190  -5.379   6.854   6.854
  985    H    VAL 191           H        VAL 191  -5.271   3.655   3.655
  986    HA   VAL 191           HA       VAL 191  -3.829   2.003   2.003
  987    HB   VAL 191           HB       VAL 191  -4.260   1.254   1.254
  988   1HG1  VAL 191          3HG2      VAL 191  -2.400   0.597   0.597
  989   2HG1  VAL 191          2HG2      VAL 191  -1.615   0.942   0.942
  990   3HG1  VAL 191          1HG2      VAL 191  -2.841  -0.321  -0.321
  991   1HG2  VAL 191          1HG1      VAL 191  -3.254   3.781   3.781
  992   2HG2  VAL 191          3HG1      VAL 191  -3.390   3.145   3.145
  993   3HG2  VAL 191          2HG1      VAL 191  -1.932   2.844   2.844
  994    H    GLY 192           H        GLY 192  -6.752   1.649   1.649
  995   1HA   GLY 192          1HA       GLY 192  -7.245  -1.060  -1.060
  996   2HA   GLY 192          2HA       GLY 192  -8.502   0.168   0.168
  997    H    CYS 193           H        CYS 193  -7.910   1.527   1.527
  998    HA   CYS 193           HA       CYS 193  -9.115  -0.270  -0.270
  999   1HB   CYS 193          1HB       CYS 193  -8.728   2.612   2.612
 1000   2HB   CYS 193          2HB       CYS 193  -8.454   2.050   2.050
 1001    HG   CYS 193           HG       CYS 193 -11.053   0.941   0.941
 1002    H    ALA 194           H        ALA 194  -5.969   1.050   1.050
 1003    HA   ALA 194           HA       ALA 194  -4.688   0.645   0.645
 1004   1HB   ALA 194          2HB       ALA 194  -3.764   0.747   0.747
 1005   2HB   ALA 194          1HB       ALA 194  -2.638   0.245   0.245
 1006   3HB   ALA 194          3HB       ALA 194  -3.404   1.832   1.832
 1007    H    PHE 195           H        PHE 195  -5.241  -1.580  -1.580
 1008    HA   PHE 195           HA       PHE 195  -3.799  -3.774  -3.774
 1009   1HB   PHE 195          1HB       PHE 195  -6.001  -3.367  -3.367
 1010   2HB   PHE 195          2HB       PHE 195  -5.811  -5.000  -5.000
 1011    HD1  PHE 195           HD1      PHE 195  -3.802  -6.288  -6.288
 1012    HD2  PHE 195           HD2      PHE 195  -4.351  -2.388  -2.388
 1013    HE1  PHE 195           HE1      PHE 195  -1.985  -6.702  -6.702
 1014    HE2  PHE 195           HE2      PHE 195  -2.535  -2.796  -2.796
 1015    HZ   PHE 195           HZ       PHE 195  -1.349  -4.955  -4.955
 1016    H    ALA 196           H        ALA 196  -6.889  -2.456  -2.456
 1017    HA   ALA 196           HA       ALA 196  -8.166  -4.565  -4.565
 1018   1HB   ALA 196          2HB       ALA 196  -8.872  -2.087  -2.087
 1019   2HB   ALA 196          1HB       ALA 196  -8.150  -1.888  -1.888
 1020   3HB   ALA 196          3HB       ALA 196  -9.486  -3.017  -3.017
 1021    H    VAL 197           H        VAL 197  -5.802  -2.363  -2.363
 1022    HA   VAL 197           HA       VAL 197  -5.762  -3.430  -3.430
 1023    HB   VAL 197           HB       VAL 197  -3.380  -2.387  -2.387
 1024   1HG1  VAL 197          1HG2      VAL 197  -2.802  -3.664  -3.664
 1025   2HG1  VAL 197          3HG2      VAL 197  -3.806  -2.558  -2.558
 1026   3HG1  VAL 197          2HG2      VAL 197  -2.371  -1.956  -1.956
 1027   1HG2  VAL 197          2HG1      VAL 197  -5.739  -1.090  -1.090
 1028   2HG2  VAL 197          1HG1      VAL 197  -4.406  -0.417  -0.417
 1029   3HG2  VAL 197          3HG1      VAL 197  -4.303  -0.481  -0.481
 1030    H    CYS 198           H        CYS 198  -4.147  -4.599  -4.599
 1031    HA   CYS 198           HA       CYS 198  -2.538  -6.572  -6.572
 1032   1HB   CYS 198          2HB       CYS 198  -2.612  -5.661  -5.661
 1033   2HB   CYS 198          1HB       CYS 198  -3.739  -6.989  -6.989
 1034    HG   CYS 198           HG       CYS 198  -0.798  -7.445  -7.445
 1035    H    LEU 199           H        LEU 199  -5.887  -6.541  -6.541
 1036    HA   LEU 199           HA       LEU 199  -6.334  -9.021  -9.021
 1037   1HB   LEU 199          1HB       LEU 199  -7.771  -9.905  -9.905
 1038   2HB   LEU 199          2HB       LEU 199  -6.110  -9.730  -9.730
 1039    HG   LEU 199           HG       LEU 199  -8.055  -7.539  -7.539
 1040   1HD1  LEU 199          1HD2      LEU 199  -9.153  -9.675  -9.675
 1041   2HD1  LEU 199          3HD2      LEU 199  -7.772 -10.021 -10.021
 1042   3HD1  LEU 199          2HD2      LEU 199  -8.792  -8.618  -8.618
 1043   1HD2  LEU 199          1HD1      LEU 199  -5.647  -7.276  -7.276
 1044   2HD2  LEU 199          3HD1      LEU 199  -6.630  -7.212  -7.212
 1045   3HD2  LEU 199          2HD1      LEU 199  -5.721  -8.672  -8.672
 1046    H    GLU 200           H        GLU 200  -6.971  -7.025  -7.025
 1047    HA   GLU 200           HA       GLU 200  -9.119  -5.395  -5.395
 1048   1HB   GLU 200          1HB       GLU 200  -9.450  -5.391  -5.391
 1049   2HB   GLU 200          2HB       GLU 200  -7.827  -5.005  -5.005
 1050   1HG   GLU 200          1HG       GLU 200  -7.868  -7.780  -7.780
 1051   2HG   GLU 200          2HG       GLU 200  -8.706  -7.097  -7.097
 1052    H    ARG 201           H        ARG 201  -9.142  -8.773  -8.773
 1053    HA   ARG 201           HA       ARG 201 -12.035  -8.752  -8.752
 1054   1HB   ARG 201          1HB       ARG 201  -9.919 -10.309 -10.309
 1055   2HB   ARG 201          2HB       ARG 201 -10.884 -11.389 -11.389
 1056   1HG   ARG 201          2HG       ARG 201 -12.814 -10.076 -10.076
 1057   2HG   ARG 201          1HG       ARG 201 -11.501 -10.145 -10.145
 1058   1HD   ARG 201          1HD       ARG 201 -11.746 -12.668 -12.668
 1059   2HD   ARG 201          2HD       ARG 201 -13.311 -12.181 -12.181
 1060    HE   ARG 201           HE       ARG 201 -11.626 -11.750 -11.750
 1061   1HH1  ARG 201          1HH2      ARG 201 -12.219 -14.483 -14.483
 1062   2HH1  ARG 201          2HH2      ARG 201 -11.816 -15.655 -15.655
 1063   1HH2  ARG 201          1HH1      ARG 201 -11.092 -13.284 -13.284
 1064   2HH2  ARG 201          2HH1      ARG 201 -11.174 -14.973 -14.973
 1065    H    LYS 202           H        LYS 202 -10.699  -8.277  -8.277
 1066    HA   LYS 202           HA       LYS 202 -10.903  -8.882  -8.882
 1067   1HB   LYS 202          1HB       LYS 202 -13.475  -9.508  -9.508
 1068   2HB   LYS 202          2HB       LYS 202 -13.204 -10.341 -10.341
 1069   1HG   LYS 202          2HG       LYS 202 -14.418  -8.208  -8.208
 1070   2HG   LYS 202          1HG       LYS 202 -12.905  -8.259  -8.259
 1071   1HD   LYS 202          1HD       LYS 202 -11.826  -7.064  -7.064
 1072   2HD   LYS 202          2HD       LYS 202 -13.442  -6.848  -6.848
 1073   1HE   LYS 202          1HE       LYS 202 -13.259  -6.056  -6.056
 1074   2HE   LYS 202          2HE       LYS 202 -12.174  -5.140  -5.140
 1075   1HZ   LYS 202          1HZ       LYS 202 -14.605  -5.291  -5.291
 1076   2HZ   LYS 202          3HZ       LYS 202 -14.973  -4.904  -4.904
 1077   3HZ   LYS 202          2HZ       LYS 202 -13.909  -3.928  -3.928
 1078    H    GLN 203           H        GLN 203  -9.393 -10.642 -10.642
 1079    HA   GLN 203           HA       GLN 203 -10.031 -13.353 -13.353
 1080   1HB   GLN 203          1HB       GLN 203  -7.797 -11.863 -11.863
 1081   2HB   GLN 203          2HB       GLN 203  -7.324 -13.367 -13.367
 1082   1HG   GLN 203          1HG       GLN 203  -9.297 -14.377 -14.377
 1083   2HG   GLN 203          2HG       GLN 203  -9.106 -12.931 -12.931
 1084   1HE2  GLN 203          1HE2      GLN 203  -7.018 -12.549 -12.549
 1085   2HE2  GLN 203          2HE2      GLN 203  -6.009 -13.890 -13.890
 1086    H    ARG 204           H        ARG 204 -10.499 -13.346 -13.346
 1087    HA   ARG 204           HA       ARG 204  -8.132 -13.167 -13.167
 1088   1HB   ARG 204          2HB       ARG 204 -11.083 -12.957 -12.957
 1089   2HB   ARG 204          1HB       ARG 204  -9.918 -13.249 -13.249
 1090   1HG   ARG 204          1HG       ARG 204  -8.866 -11.161 -11.161
 1091   2HG   ARG 204          2HG       ARG 204  -9.725 -10.908 -10.908
 1092   1HD   ARG 204          2HD       ARG 204 -11.020 -11.066 -11.066
 1093   2HD   ARG 204          1HD       ARG 204 -10.651  -9.571  -9.571
 1094    HE   ARG 204           HE       ARG 204 -12.196 -11.175 -11.175
 1095   1HH1  ARG 204          1HH2      ARG 204 -12.505  -9.458  -9.458
 1096   2HH1  ARG 204          2HH2      ARG 204 -14.202  -9.172  -9.172
 1097   1HH2  ARG 204          1HH1      ARG 204 -14.430 -10.805 -10.805
 1098   2HH2  ARG 204          2HH1      ARG 204 -15.297  -9.938  -9.938
 1099    H    ARG 205           H        ARG 205  -9.175 -15.450 -15.450
 1100    HA   ARG 205           HA       ARG 205 -10.148 -17.560 -17.560
 1101   1HB   ARG 205          2HB       ARG 205  -9.440 -17.244 -17.244
 1102   2HB   ARG 205          1HB       ARG 205  -8.112 -18.250 -18.250
 1103   1HG   ARG 205          2HG       ARG 205  -9.412 -20.071 -20.071
 1104   2HG   ARG 205          1HG       ARG 205 -10.802 -19.140 -19.140
 1105   1HD   ARG 205          2HD       ARG 205 -11.672 -18.987 -18.987
 1106   2HD   ARG 205          1HD       ARG 205 -10.110 -18.616 -18.616
 1107    HE   ARG 205           HE       ARG 205  -9.839 -20.841 -20.841
 1108   1HH1  ARG 205          1HH1      ARG 205 -12.520 -20.454 -20.454
 1109   2HH1  ARG 205          2HH1      ARG 205 -13.063 -22.089 -22.089
 1110   1HH2  ARG 205          2HH2      ARG 205 -10.546 -22.996 -22.996
 1111   2HH2  ARG 205          1HH2      ARG 205 -11.941 -23.536 -23.536
 1112    H    THR 206           H        THR 206  -7.004 -16.138 -16.138
 1113    HA   THR 206           HA       THR 206  -5.328 -18.146 -18.146
 1114    HB   THR 206           HB       THR 206  -4.507 -15.907 -15.907
 1115    HG1  THR 206          1HG       THR 206  -3.149 -16.936 -16.936
 1116   1HG2  THR 206          3HG2      THR 206  -6.624 -14.917 -14.917
 1117   2HG2  THR 206          2HG2      THR 206  -5.460 -14.849 -14.849
 1118   3HG2  THR 206          1HG2      THR 206  -5.119 -14.019 -14.019
 1119    H    ARG 207           H        ARG 207  -4.412 -18.482 -18.482
 1120    HA   ARG 207           HA       ARG 207  -4.618 -19.102 -19.102
 1121   1HB   ARG 207          1HB       ARG 207  -6.330 -16.873 -16.873
 1122   2HB   ARG 207          2HB       ARG 207  -7.235 -18.098 -18.098
 1123   1HG   ARG 207          2HG       ARG 207  -5.203 -18.326 -18.326
 1124   2HG   ARG 207          1HG       ARG 207  -4.605 -16.852 -16.852
 1125   1HD   ARG 207          2HD       ARG 207  -5.789 -15.690 -15.690
 1126   2HD   ARG 207          1HD       ARG 207  -7.250 -16.295 -16.295
 1127    HE   ARG 207           HE       ARG 207  -7.604 -17.645 -17.645
 1128   1HH1  ARG 207          2HH1      ARG 207  -4.285 -16.593 -16.593
 1129   2HH1  ARG 207          1HH1      ARG 207  -3.938 -17.277 -17.277
 1130   1HH2  ARG 207          2HH2      ARG 207  -7.159 -18.551 -18.551
 1131   2HH2  ARG 207          1HH2      ARG 207  -5.572 -18.391 -18.391
 1132    H    ALA 208           H        ALA 208  -8.061 -19.027 -19.027
 1133    HA   ALA 208           HA       ALA 208  -8.289 -21.816 -21.816
 1134   1HB   ALA 208          1HB       ALA 208 -10.344 -19.724 -19.724
 1135   2HB   ALA 208          3HB       ALA 208 -10.746 -21.399 -21.399
 1136   3HB   ALA 208          2HB       ALA 208  -9.955 -20.388 -20.388
 1137    H    ALA 209           H        ALA 209  -9.830 -23.188 -23.188
 1138    HA   ALA 209           HA       ALA 209 -10.280 -24.307 -24.307
 1139   1HB   ALA 209          3HB       ALA 209 -10.654 -21.591 -21.591
 1140   2HB   ALA 209          2HB       ALA 209  -9.783 -22.292 -22.292
 1141   3HB   ALA 209          1HB       ALA 209 -11.317 -22.990 -22.990
 1142    H    ALA 210           H        ALA 210  -9.301 -24.952 -24.952
 1143    HA   ALA 210           HA       ALA 210  -6.462 -25.337 -25.337
 1144   1HB   ALA 210          3HB       ALA 210  -8.381 -26.955 -26.955
 1145   2HB   ALA 210          2HB       ALA 210  -7.703 -26.327 -26.327
 1146   3HB   ALA 210          1HB       ALA 210  -6.662 -27.152 -27.152
 1147   1H    ALA   1          3HT       ALA   1 -13.268  -7.670  -7.670
 1148   2H    ALA   1          2HT       ALA   1 -11.810  -7.575  -7.575
 1149   3H    ALA   1          1HT       ALA   1 -13.250  -6.881  -6.881
 1150    HA   ALA   1           HA       ALA   1 -13.162  -5.107  -5.107
 1151   1HB   ALA   1          1HB       ALA   1 -10.881  -5.677  -5.677
 1152   2HB   ALA   1          3HB       ALA   1 -10.264  -5.514  -5.514
 1153   3HB   ALA   1          2HB       ALA   1 -11.146  -4.182  -4.182
 1154    H    TYR   2           H        TYR   2 -10.578  -7.010  -7.010
 1155    HA   TYR   2           HA       TYR   2 -11.980  -7.194  -7.194
 1156   1HB   TYR   2          1HB       TYR   2  -9.865  -5.899  -5.899
 1157   2HB   TYR   2          2HB       TYR   2 -11.403  -5.125  -5.125
 1158    HD1  TYR   2           HD2      TYR   2  -8.806  -6.127  -6.127
 1159    HD2  TYR   2           HD1      TYR   2 -10.707  -2.921  -2.921
 1160    HE1  TYR   2           HE2      TYR   2  -7.663  -4.514  -4.514
 1161    HE2  TYR   2           HE1      TYR   2  -9.568  -1.302  -1.302
 1162    HH   TYR   2           HH2      TYR   2  -8.519  -1.592  -1.592
 1163    H    ILE   3           H        ILE   3  -8.495  -6.788  -6.788
 1164    HA   ILE   3           HA       ILE   3  -8.239  -9.685  -9.685
 1165    HB   ILE   3           HB       ILE   3  -6.376  -7.450  -7.450
 1166   1HG1  ILE   3          1HG1      ILE   3  -6.969  -8.592  -8.592
 1167   2HG1  ILE   3          2HG1      ILE   3  -8.389  -9.154  -9.154
 1168   1HG2  ILE   3          2HG2      ILE   3  -6.099 -10.436 -10.436
 1169   2HG2  ILE   3          1HG2      ILE   3  -5.116  -9.253  -9.253
 1170   3HG2  ILE   3          3HG2      ILE   3  -5.038  -9.348  -9.348
 1171   1HD1  ILE   3          2HD1      ILE   3  -7.771  -6.279  -6.279
 1172   2HD1  ILE   3          1HD1      ILE   3  -8.321  -6.864  -6.864
 1173   3HD1  ILE   3          3HD1      ILE   3  -9.323  -7.106  -7.106
 1174    H    GLY   4           H        GLY   4  -6.680  -6.918  -6.918
 1175   1HA   GLY   4          1HA       GLY   4  -4.764  -8.253  -8.253
 1176   2HA   GLY   4          2HA       GLY   4  -5.599  -6.807  -6.807
 1177    HA   PRO   5           HA       PRO   5  -7.513  -9.202  -9.202
 1178   1HB   PRO   5          2HB       PRO   5  -9.970  -7.624  -7.624
 1179   2HB   PRO   5          1HB       PRO   5  -8.851  -7.694  -7.694
 1180   1HG   PRO   5          1HG       PRO   5  -9.030  -5.521  -5.521
 1181   2HG   PRO   5          2HG       PRO   5  -7.490  -6.039  -6.039
 1182   1HD   PRO   5          2HD       PRO   5  -8.521  -6.451  -6.451
 1183   2HD   PRO   5          1HD       PRO   5  -6.897  -5.977  -5.977
 1184   1HN   PTR   6           H        PTR   6  -9.296 -10.664 -10.664
 1185    HA   PTR   6           HA       PTR   6 -10.765 -12.306 -12.306
 1186   1HB   PTR   6          1HB       PTR   6 -11.501 -10.291 -10.291
 1187   2HB   PTR   6          2HB       PTR   6 -12.317 -10.576 -10.576
 1188    HD1  PTR   6           HD1      PTR   6 -12.126 -11.482 -11.482
 1189    HD2  PTR   6           HD2      PTR   6 -13.659 -12.652 -12.652
 1190    HE1  PTR   6           HE1      PTR   6 -13.205 -13.478 -13.478
 1191    HE2  PTR   6           HE2      PTR   6 -14.812 -14.557 -14.557
 1192    H    LEU   7           H        LEU   7 -10.318 -11.250 -11.250
 1193    HA   LEU   7           HA       LEU   7  -9.545 -12.343 -12.343
 1194   1HB   LEU   7          1HB       LEU   7  -7.461 -12.072 -12.072
 1195   2HB   LEU   7          2HB       LEU   7  -7.518 -13.821 -13.821
 1196    HG   LEU   7           HG       LEU   7  -7.007 -11.877 -11.877
 1197   1HD1  LEU   7          1HD1      LEU   7  -5.510 -14.237 -14.237
 1198   2HD1  LEU   7          3HD1      LEU   7  -5.033 -13.342 -13.342
 1199   3HD1  LEU   7          2HD1      LEU   7  -5.066 -12.534 -12.534
 1200   1HD2  LEU   7          3HD2      LEU   7  -8.704 -13.612 -13.612
 1201   2HD2  LEU   7          2HD2      LEU   7  -7.214 -13.603 -13.603
 1202   3HD2  LEU   7          1HD2      LEU   7  -7.462 -14.827 -14.827

  Start of MODEL   11
    1    HA   SER  64           HA       SER  64 -15.898   6.296   6.296
    2   1HB   SER  64          1HB       SER  64 -17.220   7.362   7.362
    3   2HB   SER  64          2HB       SER  64 -15.520   7.459   7.459
    4    HG   SER  64           HG       SER  64 -15.422   5.174   5.174
    5    H    LYS  65           H        LYS  65 -15.607   8.501   8.501
    6    HA   LYS  65           HA       LYS  65 -18.095  10.005  10.005
    7   1HB   LYS  65          1HB       LYS  65 -15.791   9.897   9.897
    8   2HB   LYS  65          2HB       LYS  65 -17.360  10.653  10.653
    9   1HG   LYS  65          2HG       LYS  65 -16.964   7.696   7.696
   10   2HG   LYS  65          1HG       LYS  65 -17.059   8.483   8.483
   11   1HD   LYS  65          2HD       LYS  65 -19.293   8.805   8.805
   12   2HD   LYS  65          1HD       LYS  65 -19.238   9.117   9.117
   13   1HE   LYS  65          1HE       LYS  65 -20.331   7.106   7.106
   14   2HE   LYS  65          2HE       LYS  65 -18.662   6.557   6.557
   15   1HZ   LYS  65          2HZ       LYS  65 -18.795   6.539   6.539
   16   2HZ   LYS  65          1HZ       LYS  65 -20.465   6.456   6.456
   17   3HZ   LYS  65          3HZ       LYS  65 -19.451   5.254   5.254
   18    HA   PRO  66           HA       PRO  66 -15.881  13.367  13.367
   19   1HB   PRO  66          1HB       PRO  66 -17.328  15.458  15.458
   20   2HB   PRO  66          2HB       PRO  66 -17.986  14.278  14.278
   21   1HG   PRO  66          1HG       PRO  66 -18.410  14.499  14.499
   22   2HG   PRO  66          2HG       PRO  66 -19.591  14.156  14.156
   23   1HD   PRO  66          1HD       PRO  66 -18.448  12.229  12.229
   24   2HD   PRO  66          2HD       PRO  66 -19.055  11.929  11.929
   25    H    HIS  67           H        HIS  67 -14.562  15.213  15.213
   26    HA   HIS  67           HA       HIS  67 -13.009  16.400  16.400
   27   1HB   HIS  67          1HB       HIS  67 -14.611  15.904  15.904
   28   2HB   HIS  67          2HB       HIS  67 -13.590  17.285  17.285
   29    HD1  HIS  67           HD1      HIS  67 -17.058  16.271  16.271
   30    HD2  HIS  67           HD2      HIS  67 -14.724  18.877  18.877
   31    HE1  HIS  67           HE1      HIS  67 -18.662  17.857  17.857
   32    H    GLN  68           H        GLN  68 -11.092  15.471  15.471
   33    HA   GLN  68           HA       GLN  68  -9.370  14.229  14.229
   34   1HB   GLN  68          2HB       GLN  68 -11.148  14.594  14.594
   35   2HB   GLN  68          1HB       GLN  68 -10.147  13.155  13.155
   36   1HG   GLN  68          1HG       GLN  68  -8.424  14.384  14.384
   37   2HG   GLN  68          2HG       GLN  68  -8.508  15.294  15.294
   38   1HE2  GLN  68          2HE2      GLN  68  -8.898  18.037  18.037
   39   2HE2  GLN  68          1HE2      GLN  68  -7.790  17.125  17.125
   40    H    TRP  69           H        TRP  69 -12.099  12.428  12.428
   41    HA   TRP  69           HA       TRP  69 -11.191   9.893   9.893
   42   1HB   TRP  69          1HB       TRP  69 -13.882  11.103  11.103
   43   2HB   TRP  69          2HB       TRP  69 -13.831   9.475   9.475
   44    HD1  TRP  69           HD1      TRP  69 -11.223   8.679   8.679
   45    HE1  TRP  69           HE1      TRP  69 -11.746   8.063   8.063
   46    HE3  TRP  69           HE3      TRP  69 -15.834  10.847  10.847
   47    HZ2  TRP  69          2HZ       TRP  69 -13.835   8.446   8.446
   48    HZ3  TRP  69           HZ3      TRP  69 -17.027  10.677  10.677
   49    HH2  TRP  69           HH2      TRP  69 -16.048   9.501   9.501
   50    H    GLN  70           H        GLN  70 -12.710  12.025  12.025
   51    HA   GLN  70           HA       GLN  70 -13.187  10.130  10.130
   52   1HB   GLN  70          1HB       GLN  70 -13.530  11.973  11.973
   53   2HB   GLN  70          2HB       GLN  70 -14.066  12.509  12.509
   54   1HG   GLN  70          1HG       GLN  70 -12.026  13.748  13.748
   55   2HG   GLN  70          2HG       GLN  70 -11.382  13.139  13.139
   56   1HE2  GLN  70          2HE2      GLN  70 -13.131  16.571  16.571
   57   2HE2  GLN  70          1HE2      GLN  70 -12.209  15.865  15.865
   58    H    ALA  71           H        ALA  71 -10.351  11.969  11.969
   59    HA   ALA  71           HA       ALA  71  -8.832  11.200  11.200
   60   1HB   ALA  71          1HB       ALA  71  -8.604  13.306  13.306
   61   2HB   ALA  71          3HB       ALA  71  -7.507  12.243  12.243
   62   3HB   ALA  71          2HB       ALA  71  -7.202  12.613  12.613
   63    H    ASP  72           H        ASP  72  -8.550  10.479  10.479
   64    HA   ASP  72           HA       ASP  72  -6.517   8.636   8.636
   65   1HB   ASP  72          1HB       ASP  72  -7.400   9.405   9.405
   66   2HB   ASP  72          2HB       ASP  72  -8.964   8.668   8.668
   67    H    GLU  73           H        GLU  73  -9.998   7.974   7.974
   68    HA   GLU  73           HA       GLU  73  -9.940   5.235   5.235
   69   1HB   GLU  73          2HB       GLU  73 -11.941   6.868   6.868
   70   2HB   GLU  73          1HB       GLU  73 -11.666   6.929   6.929
   71   1HG   GLU  73          2HG       GLU  73 -13.071   5.205   5.205
   72   2HG   GLU  73          1HG       GLU  73 -11.694   4.247   4.247
   73    H    GLU  74           H        GLU  74  -9.275   7.673   7.673
   74    HA   GLU  74           HA       GLU  74  -8.727   5.645   5.645
   75   1HB   GLU  74          1HB       GLU  74  -9.764   8.041   8.041
   76   2HB   GLU  74          2HB       GLU  74  -8.079   8.543   8.543
   77   1HG   GLU  74          1HG       GLU  74  -7.650   7.394   7.394
   78   2HG   GLU  74          2HG       GLU  74  -9.022   6.309   6.309
   79    H    ALA  75           H        ALA  75  -7.018   7.525   7.525
   80    HA   ALA  75           HA       ALA  75  -4.438   7.401   7.401
   81   1HB   ALA  75          3HB       ALA  75  -5.562   8.681   8.681
   82   2HB   ALA  75          2HB       ALA  75  -4.328   7.602   7.602
   83   3HB   ALA  75          1HB       ALA  75  -3.897   8.799   8.799
   84    H    VAL  76           H        VAL  76  -5.614   5.877   5.877
   85    HA   VAL  76           HA       VAL  76  -3.616   4.050   4.050
   86    HB   VAL  76           HB       VAL  76  -6.105   4.590   4.590
   87   1HG1  VAL  76          2HG1      VAL  76  -5.935   1.657   1.657
   88   2HG1  VAL  76          1HG1      VAL  76  -6.990   2.356   2.356
   89   3HG1  VAL  76          3HG1      VAL  76  -7.209   2.780   2.780
   90   1HG2  VAL  76          2HG2      VAL  76  -3.797   2.859   2.859
   91   2HG2  VAL  76          1HG2      VAL  76  -4.242   4.454   4.454
   92   3HG2  VAL  76          3HG2      VAL  76  -5.192   3.043   3.043
   93    H    ARG  77           H        ARG  77  -6.400   3.798   3.798
   94    HA   ARG  77           HA       ARG  77  -6.065   1.072   1.072
   95   1HB   ARG  77          1HB       ARG  77  -7.973   2.979   2.979
   96   2HB   ARG  77          2HB       ARG  77  -7.229   2.793   2.793
   97   1HG   ARG  77          2HG       ARG  77  -8.105   0.755   0.755
   98   2HG   ARG  77          1HG       ARG  77  -7.853   0.273   0.273
   99   1HD   ARG  77          1HD       ARG  77  -9.837   1.314   1.314
  100   2HD   ARG  77          2HD       ARG  77  -9.985   2.234   2.234
  101    HE   ARG  77           HE       ARG  77 -10.901  -0.432  -0.432
  102   1HH1  ARG  77          1HH1      ARG  77  -9.750   1.761   1.761
  103   2HH1  ARG  77          2HH1      ARG  77 -10.548   0.939   0.939
  104   1HH2  ARG  77          1HH2      ARG  77 -11.957  -1.525  -1.525
  105   2HH2  ARG  77          2HH2      ARG  77 -11.803  -0.930  -0.930
  106    H    SER  78           H        SER  78  -4.997   4.076   4.076
  107    HA   SER  78           HA       SER  78  -3.519   2.554   2.554
  108   1HB   SER  78          2HB       SER  78  -3.900   5.533   5.533
  109   2HB   SER  78          1HB       SER  78  -2.981   4.807   4.807
  110    HG   SER  78           HG       SER  78  -5.082   3.572   3.572
  111    H    ALA  79           H        ALA  79  -2.811   2.793   2.793
  112    HA   ALA  79           HA       ALA  79  -0.939   2.927   2.927
  113   1HB   ALA  79          2HB       ALA  79  -0.026   2.066   2.066
  114   2HB   ALA  79          1HB       ALA  79   1.231   2.735   2.735
  115   3HB   ALA  79          3HB       ALA  79   0.270   1.362   1.362
  116    H    THR  80           H        THR  80  -0.990   4.981   4.981
  117    HA   THR  80           HA       THR  80   1.072   6.739   6.739
  118    HB   THR  80           HB       THR  80   0.013   7.387   7.387
  119    HG1  THR  80          1HG       THR  80  -0.290   9.481   9.481
  120   1HG2  THR  80          1HG2      THR  80  -2.583   7.533   7.533
  121   2HG2  THR  80          3HG2      THR  80  -2.337   8.044   8.044
  122   3HG2  THR  80          2HG2      THR  80  -2.139   6.348   6.348
  123    H    CYS  81           H        CYS  81  -2.084   6.286   6.286
  124    HA   CYS  81           HA       CYS  81  -2.462   8.450   8.450
  125   1HB   CYS  81          1HB       CYS  81  -4.081   6.833   6.833
  126   2HB   CYS  81          2HB       CYS  81  -2.917   5.530   5.530
  127    HG   CYS  81           HG       CYS  81  -3.929   5.891   5.891
  128    H    SER  82           H        SER  82  -1.981   8.968   8.968
  129    HA   SER  82           HA       SER  82   0.042   7.914   7.914
  130   1HB   SER  82          2HB       SER  82   1.547  10.160  10.160
  131   2HB   SER  82          1HB       SER  82   1.953   8.470   8.470
  132    HG   SER  82           HG       SER  82   1.736  10.100  10.100
  133    H    PHE  83           H        PHE  83   0.288   9.083   9.083
  134    HA   PHE  83           HA       PHE  83  -0.625  11.804  11.804
  135   1HB   PHE  83          1HB       PHE  83  -2.269   9.568   9.568
  136   2HB   PHE  83          2HB       PHE  83  -2.438  11.263  11.263
  137    HD1  PHE  83           HD1      PHE  83  -3.076  12.918  12.918
  138    HD2  PHE  83           HD2      PHE  83  -3.384   8.702   8.702
  139    HE1  PHE  83           HE1      PHE  83  -4.646  13.255  13.255
  140    HE2  PHE  83           HE2      PHE  83  -4.955   9.031   9.031
  141    HZ   PHE  83           HZ       PHE  83  -5.586  11.310  11.310
  142    H    SER  84           H        SER  84  -0.080  12.786  12.786
  143    HA   SER  84           HA       SER  84   2.193  11.994  11.994
  144   1HB   SER  84          1HB       SER  84   1.345  14.240  14.240
  145   2HB   SER  84          2HB       SER  84  -0.081  13.653  13.653
  146    HG   SER  84           HG       SER  84   2.603  13.702  13.702
  147    H    VAL  85           H        VAL  85   2.467  11.409  11.409
  148    HA   VAL  85           HA       VAL  85   0.454   9.982   9.982
  149    HB   VAL  85           HB       VAL  85   0.837   8.418   8.418
  150   1HG1  VAL  85          2HG2      VAL  85   3.231   8.803   8.803
  151   2HG1  VAL  85          1HG2      VAL  85   3.557   8.062   8.062
  152   3HG1  VAL  85          3HG2      VAL  85   2.891   7.091   7.091
  153   1HG2  VAL  85          2HG1      VAL  85   0.106   7.769   7.769
  154   2HG2  VAL  85          1HG1      VAL  85   0.673   6.486   6.486
  155   3HG2  VAL  85          3HG1      VAL  85   1.738   7.126   7.126
  156    H    LYS  86           H        LYS  86   1.237   8.908   8.908
  157    HA   LYS  86           HA       LYS  86   3.908   9.847   9.847
  158   1HB   LYS  86          2HB       LYS  86   1.412   9.645   9.645
  159   2HB   LYS  86          1HB       LYS  86   3.000  10.122  10.122
  160   1HG   LYS  86          2HG       LYS  86   2.846  11.987  11.987
  161   2HG   LYS  86          1HG       LYS  86   1.123  11.613  11.613
  162   1HD   LYS  86          2HD       LYS  86   1.270  11.852  11.852
  163   2HD   LYS  86          1HD       LYS  86   2.799  12.675  12.675
  164   1HE   LYS  86          2HE       LYS  86   0.334  13.502  13.502
  165   2HE   LYS  86          1HE       LYS  86   0.587  14.046  14.046
  166   1HZ   LYS  86          1HZ       LYS  86   2.766  14.922  14.922
  167   2HZ   LYS  86          3HZ       LYS  86   2.378  14.521  14.521
  168   3HZ   LYS  86          2HZ       LYS  86   1.461  15.675  15.675
  169    H    TYR  87           H        TYR  87   4.286   7.592   7.592
  170    HA   TYR  87           HA       TYR  87   3.466   5.243   5.243
  171   1HB   TYR  87          1HB       TYR  87   4.623   5.291   5.291
  172   2HB   TYR  87          2HB       TYR  87   6.099   5.835   5.835
  173    HD1  TYR  87           HD2      TYR  87   3.748   3.170   3.170
  174    HD2  TYR  87           HD1      TYR  87   7.606   4.106   4.106
  175    HE1  TYR  87           HE2      TYR  87   4.435   0.832   0.832
  176    HE2  TYR  87           HE1      TYR  87   8.305   1.770   1.770
  177    HH   TYR  87           HH2      TYR  87   6.389  -0.497  -0.497
  178    H    LEU  88           H        LEU  88   3.786   4.477   4.477
  179    HA   LEU  88           HA       LEU  88   5.396   5.719   5.719
  180   1HB   LEU  88          2HB       LEU  88   4.018   3.063   3.063
  181   2HB   LEU  88          1HB       LEU  88   5.070   3.430   3.430
  182    HG   LEU  88           HG       LEU  88   3.668   5.388   5.388
  183   1HD1  LEU  88          2HD2      LEU  88   2.845   5.817   5.817
  184   2HD1  LEU  88          1HD2      LEU  88   1.852   4.362   4.362
  185   3HD1  LEU  88          3HD2      LEU  88   1.541   5.723   5.723
  186   1HD2  LEU  88          2HD1      LEU  88   2.600   2.616   2.616
  187   2HD2  LEU  88          1HD1      LEU  88   3.021   3.643   3.643
  188   3HD2  LEU  88          3HD1      LEU  88   1.517   3.918   3.918
  189    H    GLY  89           H        GLY  89   5.961   2.883   2.883
  190   1HA   GLY  89          2HA       GLY  89   8.495   2.928   2.928
  191   2HA   GLY  89          1HA       GLY  89   8.663   2.621   2.621
  192    H    CYS  90           H        CYS  90   9.822   0.745   0.745
  193    HA   CYS  90           HA       CYS  90   7.892  -1.389  -1.389
  194   1HB   CYS  90          2HB       CYS  90  10.871  -1.391  -1.391
  195   2HB   CYS  90          1HB       CYS  90   9.699  -2.565  -2.565
  196    HG   CYS  90           HG       CYS  90  10.324   0.113   0.113
  197    H    VAL  91           H        VAL  91   7.862  -3.294  -3.294
  198    HA   VAL  91           HA       VAL  91   9.697  -3.610  -3.610
  199    HB   VAL  91           HB       VAL  91   7.131  -2.684  -2.684
  200   1HG1  VAL  91          1HG2      VAL  91   6.435  -5.133  -5.133
  201   2HG1  VAL  91          3HG2      VAL  91   6.937  -5.430  -5.430
  202   3HG1  VAL  91          2HG2      VAL  91   5.666  -4.256  -4.256
  203   1HG2  VAL  91          1HG1      VAL  91   9.064  -4.000  -4.000
  204   2HG2  VAL  91          3HG1      VAL  91   8.688  -2.289  -2.289
  205   3HG2  VAL  91          2HG1      VAL  91   7.528  -3.362  -3.362
  206    H    GLU  92           H        GLU  92   9.328  -5.859  -5.859
  207    HA   GLU  92           HA       GLU  92   9.123  -7.807  -7.807
  208   1HB   GLU  92          1HB       GLU  92  11.331  -7.503  -7.503
  209   2HB   GLU  92          2HB       GLU  92  10.540  -8.238  -8.238
  210   1HG   GLU  92          1HG       GLU  92  10.602 -10.303 -10.303
  211   2HG   GLU  92          2HG       GLU  92  10.316  -9.727  -9.727
  212    H    VAL  93           H        VAL  93   8.053  -9.779  -9.779
  213    HA   VAL  93           HA       VAL  93   6.600 -10.194 -10.194
  214    HB   VAL  93           HB       VAL  93   4.442 -10.565 -10.565
  215   1HG1  VAL  93          3HG1      VAL  93   5.649  -7.826  -7.826
  216   2HG1  VAL  93          2HG1      VAL  93   3.962  -8.074  -8.074
  217   3HG1  VAL  93          1HG1      VAL  93   4.558  -8.654  -8.654
  218   1HG2  VAL  93          3HG2      VAL  93   5.555 -10.628 -10.628
  219   2HG2  VAL  93          2HG2      VAL  93   4.107  -9.627  -9.627
  220   3HG2  VAL  93          1HG2      VAL  93   5.701  -8.874  -8.874
  221    H    PHE  94           H        PHE  94   5.229 -12.283 -12.283
  222    HA   PHE  94           HA       PHE  94   7.015 -14.303 -14.303
  223   1HB   PHE  94          2HB       PHE  94   4.503 -14.551 -14.551
  224   2HB   PHE  94          1HB       PHE  94   5.542 -15.896 -15.896
  225    HD1  PHE  94           HD1      PHE  94   8.168 -14.305 -14.305
  226    HD2  PHE  94           HD2      PHE  94   4.736 -14.854 -14.854
  227    HE1  PHE  94           HE1      PHE  94   9.545 -13.922 -13.922
  228    HE2  PHE  94           HE2      PHE  94   6.107 -14.472 -14.472
  229    HZ   PHE  94           HZ       PHE  94   8.515 -14.005 -14.005
  230    H    GLU  95           H        GLU  95   3.989 -12.827 -12.827
  231    HA   GLU  95           HA       GLU  95   3.735 -14.647 -14.647
  232   1HB   GLU  95          1HB       GLU  95   1.491 -13.680 -13.680
  233   2HB   GLU  95          2HB       GLU  95   1.250 -14.482 -14.482
  234   1HG   GLU  95          2HG       GLU  95   1.030 -16.257 -16.257
  235   2HG   GLU  95          1HG       GLU  95   2.766 -16.327 -16.327
  236    H    SER  96           H        SER  96   3.001 -13.742 -13.742
  237    HA   SER  96           HA       SER  96   2.495 -10.848 -10.848
  238   1HB   SER  96          2HB       SER  96   4.809 -12.078 -12.078
  239   2HB   SER  96          1HB       SER  96   3.827 -11.660 -11.660
  240    HG   SER  96           HG       SER  96   5.214  -9.948  -9.948
  241    H    ARG  97           H        ARG  97   0.783 -13.282 -13.282
  242    HA   ARG  97           HA       ARG  97  -0.600 -12.538 -12.538
  243   1HB   ARG  97          2HB       ARG  97  -0.472 -15.412 -15.412
  244   2HB   ARG  97          1HB       ARG  97  -0.917 -14.756 -14.756
  245   1HG   ARG  97          1HG       ARG  97   1.319 -14.286 -14.286
  246   2HG   ARG  97          2HG       ARG  97   1.861 -14.509 -14.509
  247   1HD   ARG  97          1HD       ARG  97   0.636 -16.726 -16.726
  248   2HD   ARG  97          2HD       ARG  97   2.368 -16.394 -16.394
  249    HE   ARG  97           HE       ARG  97   1.255 -16.712 -16.712
  250   1HH1  ARG  97          1HH1      ARG  97   2.586 -18.364 -18.364
  251   2HH1  ARG  97          2HH1      ARG  97   3.090 -19.749 -19.749
  252   1HH2  ARG  97          1HH2      ARG  97   1.914 -18.531 -18.531
  253   2HH2  ARG  97          2HH2      ARG  97   2.707 -19.845 -19.845
  254    H    GLY  98           H        GLY  98  -0.956 -12.020 -12.020
  255   1HA   GLY  98          1HA       GLY  98  -3.760 -12.909 -12.909
  256   2HA   GLY  98          2HA       GLY  98  -2.717 -13.122 -13.122
  257    H    MET  99           H        MET  99  -5.137 -11.320 -11.320
  258    HA   MET  99           HA       MET  99  -4.367  -8.651  -8.651
  259   1HB   MET  99          2HB       MET  99  -6.649  -9.715  -9.715
  260   2HB   MET  99          1HB       MET  99  -7.004  -9.631  -9.631
  261   1HG   MET  99          1HG       MET  99  -5.975  -7.116  -7.116
  262   2HG   MET  99          2HG       MET  99  -7.233  -7.603  -7.603
  263   1HE   MET  99          3HE       MET  99  -6.327  -5.705  -5.705
  264   2HE   MET  99          2HE       MET  99  -7.897  -4.987  -4.987
  265   3HE   MET  99          1HE       MET  99  -7.152  -6.097  -6.097
  266    H    GLN 100           H        GLN 100  -5.191 -11.031 -11.031
  267    HA   GLN 100           HA       GLN 100  -5.419  -9.376  -9.376
  268   1HB   GLN 100          1HB       GLN 100  -4.301 -12.178 -12.178
  269   2HB   GLN 100          2HB       GLN 100  -4.703 -11.375 -11.375
  270   1HG   GLN 100          2HG       GLN 100  -7.045 -11.124 -11.124
  271   2HG   GLN 100          1HG       GLN 100  -6.566 -12.210 -12.210
  272   1HE2  GLN 100          2HE2      GLN 100  -8.146 -14.329 -14.329
  273   2HE2  GLN 100          1HE2      GLN 100  -8.587 -13.089 -13.089
  274    H    VAL 101           H        VAL 101  -2.547 -10.555 -10.555
  275    HA   VAL 101           HA       VAL 101  -0.662  -9.844  -9.844
  276    HB   VAL 101           HB       VAL 101  -0.277 -10.026 -10.026
  277   1HG1  VAL 101          2HG1      VAL 101   1.470  -9.073  -9.073
  278   2HG1  VAL 101          1HG1      VAL 101   2.053 -10.669 -10.669
  279   3HG1  VAL 101          3HG1      VAL 101   1.836  -9.412  -9.412
  280   1HG2  VAL 101          1HG2      VAL 101  -1.113 -12.057 -12.057
  281   2HG2  VAL 101          3HG2      VAL 101   0.164 -12.272 -12.272
  282   3HG2  VAL 101          2HG2      VAL 101   0.573 -12.129 -12.129
  283    H    CYS 102           H        CYS 102  -2.281  -8.024  -8.024
  284    HA   CYS 102           HA       CYS 102  -0.571  -5.771  -5.771
  285   1HB   CYS 102          2HB       CYS 102  -3.498  -6.037  -6.037
  286   2HB   CYS 102          1HB       CYS 102  -2.531  -4.598  -4.598
  287    HG   CYS 102           HG       CYS 102  -2.530  -5.973  -5.973
  288    H    GLU 103           H        GLU 103  -3.520  -6.531  -6.531
  289    HA   GLU 103           HA       GLU 103  -3.886  -4.086  -4.086
  290   1HB   GLU 103          2HB       GLU 103  -4.895  -6.755  -6.755
  291   2HB   GLU 103          1HB       GLU 103  -4.550  -6.127  -6.127
  292   1HG   GLU 103          2HG       GLU 103  -6.181  -4.630  -4.630
  293   2HG   GLU 103          1HG       GLU 103  -6.880  -5.747  -5.747
  294    H    GLU 104           H        GLU 104  -1.962  -6.884  -6.884
  295    HA   GLU 104           HA       GLU 104  -1.033  -5.590  -5.590
  296   1HB   GLU 104          1HB       GLU 104   0.358  -7.546  -7.546
  297   2HB   GLU 104          2HB       GLU 104  -1.248  -8.053  -8.053
  298   1HG   GLU 104          1HG       GLU 104  -0.484  -8.476  -8.476
  299   2HG   GLU 104          2HG       GLU 104   1.097  -7.786  -7.786
  300    H    ALA 105           H        ALA 105   0.128  -5.962  -5.962
  301    HA   ALA 105           HA       ALA 105   2.807  -5.220  -5.220
  302   1HB   ALA 105          3HB       ALA 105   1.957  -6.272  -6.272
  303   2HB   ALA 105          2HB       ALA 105   1.142  -4.764  -4.764
  304   3HB   ALA 105          1HB       ALA 105   2.902  -4.817  -4.817
  305    H    LEU 106           H        LEU 106   0.136  -3.218  -3.218
  306    HA   LEU 106           HA       LEU 106   1.369  -0.789  -0.789
  307   1HB   LEU 106          1HB       LEU 106  -1.163  -1.622  -1.622
  308   2HB   LEU 106          2HB       LEU 106  -1.354  -0.770  -0.770
  309    HG   LEU 106           HG       LEU 106   0.091   0.699   0.699
  310   1HD1  LEU 106          3HD1      LEU 106  -2.633  -0.370  -0.370
  311   2HD1  LEU 106          2HD1      LEU 106  -2.418   1.344   1.344
  312   3HD1  LEU 106          1HD1      LEU 106  -1.441   0.141   0.141
  313   1HD2  LEU 106          2HD2      LEU 106  -1.040   1.283   1.283
  314   2HD2  LEU 106          1HD2      LEU 106  -0.508   2.451   2.451
  315   3HD2  LEU 106          3HD2      LEU 106  -2.195   1.941   1.941
  316    H    LYS 107           H        LYS 107   0.139  -2.404  -2.404
  317    HA   LYS 107           HA       LYS 107   0.415  -0.212  -0.212
  318   1HB   LYS 107          1HB       LYS 107  -0.979  -2.062  -2.062
  319   2HB   LYS 107          2HB       LYS 107   0.355  -3.194  -3.194
  320   1HG   LYS 107          2HG       LYS 107   0.782  -0.998  -0.998
  321   2HG   LYS 107          1HG       LYS 107  -0.478  -2.156  -2.156
  322   1HD   LYS 107          2HD       LYS 107   1.752  -3.624  -3.624
  323   2HD   LYS 107          1HD       LYS 107   2.347  -2.437  -2.437
  324   1HE   LYS 107          1HE       LYS 107   0.375  -3.249  -3.249
  325   2HE   LYS 107          2HE       LYS 107   0.368  -4.651  -4.651
  326   1HZ   LYS 107          3HZ       LYS 107   2.735  -4.975  -4.975
  327   2HZ   LYS 107          2HZ       LYS 107   2.633  -3.712  -3.712
  328   3HZ   LYS 107          1HZ       LYS 107   1.721  -5.119  -5.119
  329    H    VAL 108           H        VAL 108   2.567  -2.846  -2.846
  330    HA   VAL 108           HA       VAL 108   4.635  -2.244  -2.244
  331    HB   VAL 108           HB       VAL 108   5.199  -3.507  -3.507
  332   1HG1  VAL 108          3HG1      VAL 108   6.366  -3.506  -3.506
  333   2HG1  VAL 108          2HG1      VAL 108   6.456  -5.014  -5.014
  334   3HG1  VAL 108          1HG1      VAL 108   7.157  -3.540  -3.540
  335   1HG2  VAL 108          1HG2      VAL 108   3.246  -4.430  -4.430
  336   2HG2  VAL 108          3HG2      VAL 108   3.586  -5.012  -5.012
  337   3HG2  VAL 108          2HG2      VAL 108   4.532  -5.608  -5.608
  338    H    LEU 109           H        LEU 109   3.831  -1.068  -1.068
  339    HA   LEU 109           HA       LEU 109   6.269   0.153   0.153
  340   1HB   LEU 109          1HB       LEU 109   3.421   0.638   0.638
  341   2HB   LEU 109          2HB       LEU 109   4.675   1.745   1.745
  342    HG   LEU 109           HG       LEU 109   4.284   0.161   0.161
  343   1HD1  LEU 109          1HD2      LEU 109   6.688   0.793   0.793
  344   2HD1  LEU 109          3HD2      LEU 109   6.775  -0.911  -0.911
  345   3HD1  LEU 109          2HD2      LEU 109   6.453  -0.450  -0.450
  346   1HD2  LEU 109          3HD1      LEU 109   4.761  -1.960  -1.960
  347   2HD2  LEU 109          2HD1      LEU 109   3.242  -1.614  -1.614
  348   3HD2  LEU 109          1HD1      LEU 109   4.613  -2.258  -2.258
  349    H    ARG 110           H        ARG 110   3.936   0.971   0.971
  350    HA   ARG 110           HA       ARG 110   4.890   3.729   3.729
  351   1HB   ARG 110          2HB       ARG 110   2.422   3.139   3.139
  352   2HB   ARG 110          1HB       ARG 110   2.759   2.407   2.407
  353   1HG   ARG 110          1HG       ARG 110   3.881   4.884   4.884
  354   2HG   ARG 110          2HG       ARG 110   2.474   5.216   5.216
  355   1HD   ARG 110          1HD       ARG 110   1.959   3.411   3.411
  356   2HD   ARG 110          2HD       ARG 110   2.437   5.043   5.043
  357    HE   ARG 110           HE       ARG 110  -0.034   4.243   4.243
  358   1HH1  ARG 110          1HH1      ARG 110   2.184   6.870   6.870
  359   2HH1  ARG 110          2HH1      ARG 110   0.988   8.100   8.100
  360   1HH2  ARG 110          2HH2      ARG 110  -1.619   5.854   5.854
  361   2HH2  ARG 110          1HH2      ARG 110  -1.176   7.523   7.523
  362    H    GLN 111           H        GLN 111   4.609   0.779   0.779
  363    HA   GLN 111           HA       GLN 111   5.874   1.785   1.785
  364   1HB   GLN 111          1HB       GLN 111   5.391  -0.979  -0.979
  365   2HB   GLN 111          2HB       GLN 111   6.335  -0.740  -0.740
  366   1HG   GLN 111          1HG       GLN 111   3.714   0.613   0.613
  367   2HG   GLN 111          2HG       GLN 111   3.704  -1.144  -1.144
  368   1HE2  GLN 111          2HE2      GLN 111   4.951  -1.218  -1.218
  369   2HE2  GLN 111          1HE2      GLN 111   4.771  -2.101  -2.101
  370    H    SER 112           H        SER 112   7.096   0.459   0.459
  371    HA   SER 112           HA       SER 112   9.805   0.248   0.248
  372   1HB   SER 112          1HB       SER 112   8.378  -0.986  -0.986
  373   2HB   SER 112          2HB       SER 112   9.619  -0.016  -0.016
  374    HG   SER 112           HG       SER 112  11.173  -1.147  -1.147
  375    H    ARG 113           H        ARG 113  11.563   1.176   1.176
  376    HA   ARG 113           HA       ARG 113  11.506   3.951   3.951
  377   1HB   ARG 113          2HB       ARG 113  13.449   3.810   3.810
  378   2HB   ARG 113          1HB       ARG 113  13.627   2.923   2.923
  379   1HG   ARG 113          2HG       ARG 113  14.021   1.070   1.070
  380   2HG   ARG 113          1HG       ARG 113  12.426   1.183   1.183
  381   1HD   ARG 113          2HD       ARG 113  13.273   1.869   1.869
  382   2HD   ARG 113          1HD       ARG 113  14.354   3.022   3.022
  383    HE   ARG 113           HE       ARG 113  16.028   1.529   1.529
  384   1HH1  ARG 113          1HH1      ARG 113  13.033  -0.233  -0.233
  385   2HH1  ARG 113          2HH1      ARG 113  13.768  -1.774  -1.774
  386   1HH2  ARG 113          1HH2      ARG 113  17.007  -0.494  -0.494
  387   2HH2  ARG 113          2HH2      ARG 113  16.028  -1.923  -1.923
  388    H    ARG 114           H        ARG 114  10.169   1.826   1.826
  389    HA   ARG 114           HA       ARG 114  10.139   3.207   3.207
  390   1HB   ARG 114          2HB       ARG 114   7.906   1.666   1.666
  391   2HB   ARG 114          1HB       ARG 114   7.821   2.234   2.234
  392   1HG   ARG 114          1HG       ARG 114   9.895   0.339   0.339
  393   2HG   ARG 114          2HG       ARG 114   8.468  -0.128  -0.128
  394   1HD   ARG 114          2HD       ARG 114   9.397   0.464   0.464
  395   2HD   ARG 114          1HD       ARG 114  10.090   1.941   1.941
  396    HE   ARG 114           HE       ARG 114  11.476  -0.372  -0.372
  397   1HH1  ARG 114          2HH2      ARG 114  11.114   1.769   1.769
  398   2HH1  ARG 114          1HH2      ARG 114  12.707   1.471   1.471
  399   1HH2  ARG 114          2HH1      ARG 114  13.574  -0.772  -0.772
  400   2HH2  ARG 114          1HH1      ARG 114  14.106   0.026   0.026
  401    H    ARG 115           H        ARG 115   9.737   5.285   5.285
  402    HA   ARG 115           HA       ARG 115   7.467   6.560   6.560
  403   1HB   ARG 115          1HB       ARG 115   8.684   8.641   8.641
  404   2HB   ARG 115          2HB       ARG 115   9.660   7.381   7.381
  405   1HG   ARG 115          2HG       ARG 115  10.735   7.192   7.192
  406   2HG   ARG 115          1HG       ARG 115  10.062   8.806   8.806
  407   1HD   ARG 115          1HD       ARG 115  11.388   9.739   9.739
  408   2HD   ARG 115          2HD       ARG 115  11.649   8.191   8.191
  409    HE   ARG 115           HE       ARG 115  13.271   9.337   9.337
  410   1HH1  ARG 115          1HH1      ARG 115  11.990   6.285   6.285
  411   2HH1  ARG 115          2HH1      ARG 115  13.296   5.356   5.356
  412   1HH2  ARG 115          1HH2      ARG 115  14.998   8.125   8.125
  413   2HH2  ARG 115          2HH2      ARG 115  15.008   6.403   6.403
  414    HA   PRO 116           HA       PRO 116   5.559   7.534   7.534
  415   1HB   PRO 116          2HB       PRO 116   5.427  10.323  10.323
  416   2HB   PRO 116          1HB       PRO 116   4.148   9.324   9.324
  417   1HG   PRO 116          1HG       PRO 116   4.292   9.685   9.685
  418   2HG   PRO 116          2HG       PRO 116   3.848   8.107   8.107
  419   1HD   PRO 116          2HD       PRO 116   6.411   8.985   8.985
  420   2HD   PRO 116          1HD       PRO 116   5.629   7.392   7.392
  421    H    VAL 117           H        VAL 117   5.894   8.651   8.651
  422    HA   VAL 117           HA       VAL 117   8.367  10.238  10.238
  423    HB   VAL 117           HB       VAL 117   8.751   7.912   7.912
  424   1HG1  VAL 117          2HG2      VAL 117   6.388   7.723   7.723
  425   2HG1  VAL 117          1HG2      VAL 117   6.996   8.620   8.620
  426   3HG1  VAL 117          3HG2      VAL 117   7.698   7.056   7.056
  427   1HG2  VAL 117          1HG1      VAL 117   9.455  10.362  10.362
  428   2HG2  VAL 117          3HG1      VAL 117  10.316   8.826   8.826
  429   3HG2  VAL 117          2HG1      VAL 117   9.121   9.245   9.245
  430    H    ARG 118           H        ARG 118   7.842  12.219  12.219
  431    HA   ARG 118           HA       ARG 118   5.389  12.846  12.846
  432   1HB   ARG 118          2HB       ARG 118   6.780  14.363  14.363
  433   2HB   ARG 118          1HB       ARG 118   7.830  14.616  14.616
  434   1HG   ARG 118          2HG       ARG 118   5.259  15.092  15.092
  435   2HG   ARG 118          1HG       ARG 118   5.303  15.840  15.840
  436   1HD   ARG 118          1HD       ARG 118   7.719  16.570  16.570
  437   2HD   ARG 118          2HD       ARG 118   6.645  16.614  16.614
  438    HE   ARG 118           HE       ARG 118   5.375  17.935  17.935
  439   1HH1  ARG 118          1HH1      ARG 118   8.171  18.309  18.309
  440   2HH1  ARG 118          2HH1      ARG 118   8.162  20.040  20.040
  441   1HH2  ARG 118          1HH2      ARG 118   5.354  20.215  20.215
  442   2HH2  ARG 118          2HH2      ARG 118   6.561  21.122  21.122
  443    H    GLY 119           H        GLY 119   5.966  11.081  11.081
  444   1HA   GLY 119          2HA       GLY 119   7.328  12.405  12.405
  445   2HA   GLY 119          1HA       GLY 119   7.342  10.667  10.667
  446    H    LEU 120           H        LEU 120   6.345   9.961   9.961
  447    HA   LEU 120           HA       LEU 120   3.511  10.609  10.609
  448   1HB   LEU 120          1HB       LEU 120   4.395  12.145  12.145
  449   2HB   LEU 120          2HB       LEU 120   5.574  10.993  10.993
  450    HG   LEU 120           HG       LEU 120   3.003   9.891   9.891
  451   1HD1  LEU 120          1HD2      LEU 120   2.214  12.238  12.238
  452   2HD1  LEU 120          3HD2      LEU 120   3.250  12.684  12.684
  453   3HD1  LEU 120          2HD2      LEU 120   1.925  11.545  11.545
  454   1HD2  LEU 120          3HD1      LEU 120   5.429  10.118  10.118
  455   2HD2  LEU 120          2HD1      LEU 120   3.972   9.412   9.412
  456   3HD2  LEU 120          1HD1      LEU 120   4.372  11.100  11.100
  457    H    LEU 121           H        LEU 121   2.262   8.937   8.937
  458    HA   LEU 121           HA       LEU 121   3.557   6.354   6.354
  459   1HB   LEU 121          1HB       LEU 121   1.361   7.091   7.091
  460   2HB   LEU 121          2HB       LEU 121   0.599   6.658   6.658
  461    HG   LEU 121           HG       LEU 121   0.802   4.922   4.922
  462   1HD1  LEU 121          2HD1      LEU 121   1.204   4.462   4.462
  463   2HD1  LEU 121          1HD1      LEU 121   1.064   3.118   3.118
  464   3HD1  LEU 121          3HD1      LEU 121  -0.258   4.275   4.275
  465   1HD2  LEU 121          2HD2      LEU 121   3.261   5.164   5.164
  466   2HD2  LEU 121          1HD2      LEU 121   2.730   3.510   3.510
  467   3HD2  LEU 121          3HD2      LEU 121   3.432   4.461   4.461
  468    H    HIS 122           H        HIS 122   4.282   5.955   5.955
  469    HA   HIS 122           HA       HIS 122   3.001   6.939   6.939
  470   1HB   HIS 122          2HB       HIS 122   5.261   5.008   5.008
  471   2HB   HIS 122          1HB       HIS 122   4.636   5.285   5.285
  472    HD1  HIS 122           HD1      HIS 122   6.034   6.936   6.936
  473    HD2  HIS 122           HD2      HIS 122   5.860   7.750   7.750
  474    HE1  HIS 122           HE1      HIS 122   7.439   9.006   9.006
  475    H    VAL 123           H        VAL 123   1.212   6.145   6.145
  476    HA   VAL 123           HA       VAL 123   0.718   3.248   3.248
  477    HB   VAL 123           HB       VAL 123  -1.351   5.417   5.417
  478   1HG1  VAL 123          1HG1      VAL 123  -2.094   3.340   3.340
  479   2HG1  VAL 123          3HG1      VAL 123  -1.721   2.444   2.444
  480   3HG1  VAL 123          2HG1      VAL 123  -2.959   3.700   3.700
  481   1HG2  VAL 123          1HG2      VAL 123   0.178   5.070   5.070
  482   2HG2  VAL 123          3HG2      VAL 123  -1.506   4.681   4.681
  483   3HG2  VAL 123          2HG2      VAL 123  -0.344   3.386   3.386
  484    H    SER 124           H        SER 124   1.428   3.024   3.024
  485    HA   SER 124           HA       SER 124  -0.400   4.237   4.237
  486   1HB   SER 124          1HB       SER 124   2.420   3.323   3.323
  487   2HB   SER 124          2HB       SER 124   1.378   4.324   4.324
  488    HG   SER 124           HG       SER 124   1.934   6.021   6.021
  489    H    GLY 125           H        GLY 125  -1.241   1.936   1.936
  490   1HA   GLY 125          2HA       GLY 125  -1.708  -0.321  -0.321
  491   2HA   GLY 125          1HA       GLY 125  -2.147   0.324   0.324
  492    H    ASP 126           H        ASP 126   0.843  -0.635  -0.635
  493    HA   ASP 126           HA       ASP 126   1.470  -2.742  -2.742
  494   1HB   ASP 126          1HB       ASP 126   1.727  -0.563  -0.563
  495   2HB   ASP 126          2HB       ASP 126   3.280  -0.452  -0.452
  496    H    GLY 127           H        GLY 127   2.723  -0.135  -0.135
  497   1HA   GLY 127          2HA       GLY 127   4.043  -1.964  -1.964
  498   2HA   GLY 127          1HA       GLY 127   5.203  -1.163  -1.163
  499    H    LEU 128           H        LEU 128   3.927  -1.054  -1.054
  500    HA   LEU 128           HA       LEU 128   3.513   1.775   1.775
  501   1HB   LEU 128          1HB       LEU 128   3.887  -0.348  -0.348
  502   2HB   LEU 128          2HB       LEU 128   3.335   1.291   1.291
  503    HG   LEU 128           HG       LEU 128   1.808  -0.493  -0.493
  504   1HD1  LEU 128          1HD1      LEU 128   2.193  -0.916  -0.916
  505   2HD1  LEU 128          3HD1      LEU 128   0.499  -0.647  -0.647
  506   3HD1  LEU 128          2HD1      LEU 128   1.404  -1.940  -1.940
  507   1HD2  LEU 128          3HD2      LEU 128   1.351   2.013   2.013
  508   2HD2  LEU 128          2HD2      LEU 128   0.873   1.579   1.579
  509   3HD2  LEU 128          1HD2      LEU 128  -0.023   0.939   0.939
  510    H    ARG 129           H        ARG 129   4.844   3.266   3.266
  511    HA   ARG 129           HA       ARG 129   7.479   2.476   2.476
  512   1HB   ARG 129          1HB       ARG 129   7.214   4.398   4.398
  513   2HB   ARG 129          2HB       ARG 129   8.708   3.855   3.855
  514   1HG   ARG 129          2HG       ARG 129   8.234   1.563   1.563
  515   2HG   ARG 129          1HG       ARG 129   6.778   2.154   2.154
  516   1HD   ARG 129          2HD       ARG 129   7.941   3.169   3.169
  517   2HD   ARG 129          1HD       ARG 129   9.320   3.536   3.536
  518    HE   ARG 129           HE       ARG 129   9.423   0.842   0.842
  519   1HH1  ARG 129          1HH1      ARG 129   9.221   3.454   3.454
  520   2HH1  ARG 129          2HH1      ARG 129  10.086   2.608   2.608
  521   1HH2  ARG 129          1HH2      ARG 129  10.565  -0.283  -0.283
  522   2HH2  ARG 129          2HH2      ARG 129  10.851   0.481   0.481
  523    H    VAL 130           H        VAL 130   7.079   3.383   3.383
  524    HA   VAL 130           HA       VAL 130   6.130   6.121   6.121
  525    HB   VAL 130           HB       VAL 130   5.251   4.604   4.604
  526   1HG1  VAL 130          3HG2      VAL 130   8.009   3.676   3.676
  527   2HG1  VAL 130          2HG2      VAL 130   7.267   3.866   3.866
  528   3HG1  VAL 130          1HG2      VAL 130   6.508   2.831   2.831
  529   1HG2  VAL 130          3HG1      VAL 130   6.161   7.005   7.005
  530   2HG2  VAL 130          2HG1      VAL 130   5.459   5.930   5.930
  531   3HG2  VAL 130          1HG1      VAL 130   7.211   6.060   6.060
  532    H    VAL 131           H        VAL 131   7.503   7.760   7.760
  533    HA   VAL 131           HA       VAL 131  10.257   7.417   7.417
  534    HB   VAL 131           HB       VAL 131  10.195   7.566   7.566
  535   1HG1  VAL 131          2HG2      VAL 131   8.214   9.475   9.475
  536   2HG1  VAL 131          1HG2      VAL 131   9.578  10.374  10.374
  537   3HG1  VAL 131          3HG2      VAL 131   8.907   9.007   9.007
  538   1HG2  VAL 131          1HG1      VAL 131  11.477   9.726   9.726
  539   2HG2  VAL 131          3HG1      VAL 131  12.212   8.329   8.329
  540   3HG2  VAL 131          2HG1      VAL 131  11.672   9.703   9.703
  541    H    ASP 132           H        ASP 132  11.056   8.942   8.942
  542    HA   ASP 132           HA       ASP 132   9.275  10.756  10.756
  543   1HB   ASP 132          2HB       ASP 132  11.312   9.621   9.621
  544   2HB   ASP 132          1HB       ASP 132  12.287  10.823  10.823
  545    H    ASP 133           H        ASP 133   9.392  13.052  13.052
  546    HA   ASP 133           HA       ASP 133  10.244  14.219  14.219
  547   1HB   ASP 133          2HB       ASP 133   7.877  14.465  14.465
  548   2HB   ASP 133          1HB       ASP 133   8.697  15.774  15.774
  549    H    GLU 134           H        GLU 134  12.011  13.588  13.588
  550    HA   GLU 134           HA       GLU 134  13.170  16.281  16.281
  551   1HB   GLU 134          1HB       GLU 134  12.089  15.275  15.275
  552   2HB   GLU 134          2HB       GLU 134  13.440  14.149  14.149
  553   1HG   GLU 134          1HG       GLU 134  14.578  15.647  15.647
  554   2HG   GLU 134          2HG       GLU 134  14.608  16.656  16.656
  555    H    THR 135           H        THR 135  13.818  12.796  12.796
  556    HA   THR 135           HA       THR 135  16.605  13.326  13.326
  557    HB   THR 135           HB       THR 135  17.030  10.983  10.983
  558    HG1  THR 135          1HG       THR 135  15.436   9.658   9.658
  559   1HG2  THR 135          3HG2      THR 135  17.027  12.766  12.766
  560   2HG2  THR 135          2HG2      THR 135  15.421  12.190  12.190
  561   3HG2  THR 135          1HG2      THR 135  16.808  11.107  11.107
  562    H    LYS 136           H        LYS 136  13.609  12.028  12.028
  563    HA   LYS 136           HA       LYS 136  12.925  11.323  11.323
  564   1HB   LYS 136          2HB       LYS 136  15.086  13.085  13.085
  565   2HB   LYS 136          1HB       LYS 136  15.272  11.707  11.707
  566   1HG   LYS 136          1HG       LYS 136  13.994  13.362  13.362
  567   2HG   LYS 136          2HG       LYS 136  12.907  12.037  12.037
  568   1HD   LYS 136          2HD       LYS 136  12.048  13.282  13.282
  569   2HD   LYS 136          1HD       LYS 136  13.211  14.577  14.577
  570   1HE   LYS 136          1HE       LYS 136  12.177  14.960  14.960
  571   2HE   LYS 136          2HE       LYS 136  10.969  13.734  13.734
  572   1HZ   LYS 136          1HZ       LYS 136  10.354  15.112  15.112
  573   2HZ   LYS 136          3HZ       LYS 136  11.393  16.322  16.322
  574   3HZ   LYS 136          2HZ       LYS 136  10.051  15.864  15.864
  575    H    GLY 137           H        GLY 137  14.272   9.535   9.535
  576   1HA   GLY 137          1HA       GLY 137  15.651   7.684   7.684
  577   2HA   GLY 137          2HA       GLY 137  15.687   7.609   7.609
  578    H    LEU 138           H        LEU 138  14.626   5.998   5.998
  579    HA   LEU 138           HA       LEU 138  11.940   5.426   5.426
  580   1HB   LEU 138          1HB       LEU 138  13.293   4.716   4.716
  581   2HB   LEU 138          2HB       LEU 138  14.071   3.511   3.511
  582    HG   LEU 138           HG       LEU 138  12.084   2.238   2.238
  583   1HD1  LEU 138          2HD1      LEU 138  10.687   4.643   4.643
  584   2HD1  LEU 138          1HD1      LEU 138   9.937   3.052   3.052
  585   3HD1  LEU 138          3HD1      LEU 138  10.450   3.900   3.900
  586   1HD2  LEU 138          2HD2      LEU 138  13.301   2.187   2.187
  587   2HD2  LEU 138          1HD2      LEU 138  11.630   1.626   1.626
  588   3HD2  LEU 138          3HD2      LEU 138  12.031   3.236   3.236
  589    H    ILE 139           H        ILE 139  10.939   4.629   4.629
  590    HA   ILE 139           HA       ILE 139  12.435   3.201   3.201
  591    HB   ILE 139           HB       ILE 139   9.487   3.778   3.778
  592   1HG1  ILE 139          1HG1      ILE 139  11.648   5.648   5.648
  593   2HG1  ILE 139          2HG1      ILE 139  10.866   5.836   5.836
  594   1HG2  ILE 139          2HG2      ILE 139  10.858   2.299   2.299
  595   2HG2  ILE 139          1HG2      ILE 139  11.359   3.860   3.860
  596   3HG2  ILE 139          3HG2      ILE 139   9.649   3.436   3.436
  597   1HD1  ILE 139          1HD1      ILE 139   8.843   5.565   5.565
  598   2HD1  ILE 139          3HD1      ILE 139  10.007   6.769   6.769
  599   3HD1  ILE 139          2HD1      ILE 139   9.225   6.957   6.957
  600    H    VAL 140           H        VAL 140   9.532   2.621   2.621
  601    HA   VAL 140           HA       VAL 140   9.871  -0.254  -0.254
  602    HB   VAL 140           HB       VAL 140   7.353   1.198   1.198
  603   1HG1  VAL 140          2HG1      VAL 140   8.099  -1.626  -1.626
  604   2HG1  VAL 140          1HG1      VAL 140   6.616  -1.262  -1.262
  605   3HG1  VAL 140          3HG1      VAL 140   6.761  -0.825  -0.825
  606   1HG2  VAL 140          2HG2      VAL 140   8.089   1.646   1.646
  607   2HG2  VAL 140          1HG2      VAL 140   6.555   0.781   0.781
  608   3HG2  VAL 140          3HG2      VAL 140   8.035  -0.087  -0.087
  609    H    ASP 141           H        ASP 141  11.463  -0.323  -0.323
  610    HA   ASP 141           HA       ASP 141  10.607   0.220   0.220
  611   1HB   ASP 141          1HB       ASP 141  12.843  -0.566  -0.566
  612   2HB   ASP 141          2HB       ASP 141  12.940   0.616   0.616
  613    H    GLN 142           H        GLN 142   8.729  -1.320  -1.320
  614    HA   GLN 142           HA       GLN 142   9.535  -3.986  -3.986
  615   1HB   GLN 142          2HB       GLN 142   8.257  -3.362  -3.362
  616   2HB   GLN 142          1HB       GLN 142   7.112  -4.234  -4.234
  617   1HG   GLN 142          1HG       GLN 142   9.748  -5.438  -5.438
  618   2HG   GLN 142          2HG       GLN 142   9.082  -5.333  -5.333
  619   1HE2  GLN 142          2HE2      GLN 142   7.586  -8.400  -8.400
  620   2HE2  GLN 142          1HE2      GLN 142   8.810  -7.546  -7.546
  621    H    THR 143           H        THR 143   7.207  -5.143  -5.143
  622    HA   THR 143           HA       THR 143   5.990  -3.369  -3.369
  623    HB   THR 143           HB       THR 143   5.663  -6.354  -6.354
  624    HG1  THR 143          1HG       THR 143   7.879  -6.069  -6.069
  625   1HG2  THR 143          3HG2      THR 143   5.285  -4.193  -4.193
  626   2HG2  THR 143          2HG2      THR 143   6.070  -5.642  -5.642
  627   3HG2  THR 143          1HG2      THR 143   4.484  -5.759  -5.759
  628    H    ILE 144           H        ILE 144   3.649  -3.982  -3.982
  629    HA   ILE 144           HA       ILE 144   2.197  -4.127  -4.127
  630    HB   ILE 144           HB       ILE 144   1.819  -2.177  -2.177
  631   1HG1  ILE 144          1HG1      ILE 144  -0.740  -3.718  -3.718
  632   2HG1  ILE 144          2HG1      ILE 144   0.158  -3.230  -3.230
  633   1HG2  ILE 144          3HG2      ILE 144   1.854  -3.776  -3.776
  634   2HG2  ILE 144          2HG2      ILE 144   0.135  -3.962  -3.962
  635   3HG2  ILE 144          1HG2      ILE 144   0.797  -2.367  -2.367
  636   1HD1  ILE 144          3HD1      ILE 144  -0.040  -0.964  -0.964
  637   2HD1  ILE 144          2HD1      ILE 144  -1.636  -1.710  -1.710
  638   3HD1  ILE 144          1HD1      ILE 144  -0.813  -1.255  -1.255
  639    H    GLU 145           H        GLU 145   2.706  -5.781  -5.781
  640    HA   GLU 145           HA       GLU 145   0.430  -7.537  -7.537
  641   1HB   GLU 145          1HB       GLU 145   2.707  -7.849  -7.849
  642   2HB   GLU 145          2HB       GLU 145   1.072  -8.480  -8.480
  643   1HG   GLU 145          2HG       GLU 145   0.259  -6.125  -6.125
  644   2HG   GLU 145          1HG       GLU 145   1.945  -5.614  -5.614
  645    H    LYS 146           H        LYS 146   3.956  -7.722  -7.722
  646    HA   LYS 146           HA       LYS 146   3.981 -10.504 -10.504
  647   1HB   LYS 146          2HB       LYS 146   5.932  -9.456  -9.456
  648   2HB   LYS 146          1HB       LYS 146   6.086  -8.360  -8.360
  649   1HG   LYS 146          1HG       LYS 146   7.354  -9.823  -9.823
  650   2HG   LYS 146          2HG       LYS 146   6.077 -11.038 -11.038
  651   1HD   LYS 146          1HD       LYS 146   7.788 -12.098 -12.098
  652   2HD   LYS 146          2HD       LYS 146   6.929 -11.328 -11.328
  653   1HE   LYS 146          2HE       LYS 146   8.672 -10.028 -10.028
  654   2HE   LYS 146          1HE       LYS 146   8.935  -9.591  -9.591
  655   1HZ   LYS 146          2HZ       LYS 146   9.730 -12.259 -12.259
  656   2HZ   LYS 146          1HZ       LYS 146  10.725 -10.929 -10.929
  657   3HZ   LYS 146          3HZ       LYS 146  10.360 -11.345 -11.345
  658    H    VAL 147           H        VAL 147   4.273  -7.493  -7.493
  659    HA   VAL 147           HA       VAL 147   4.775  -8.429  -8.429
  660    HB   VAL 147           HB       VAL 147   4.605  -6.043  -6.043
  661   1HG1  VAL 147          3HG2      VAL 147   1.682  -6.692  -6.692
  662   2HG1  VAL 147          2HG2      VAL 147   2.250  -5.051  -5.051
  663   3HG1  VAL 147          1HG2      VAL 147   2.702  -5.873  -5.873
  664   1HG2  VAL 147          3HG1      VAL 147   4.352  -7.022  -7.022
  665   2HG2  VAL 147          2HG1      VAL 147   4.023  -5.313  -5.313
  666   3HG2  VAL 147          1HG1      VAL 147   2.688  -6.456  -6.456
  667    H    SER 148           H        SER 148   3.254  -8.629  -8.629
  668    HA   SER 148           HA       SER 148   1.214 -10.547 -10.547
  669   1HB   SER 148          1HB       SER 148   1.235  -9.695  -9.695
  670   2HB   SER 148          2HB       SER 148   1.590 -11.279 -11.279
  671    HG   SER 148           HG       SER 148   3.703 -10.377 -10.377
  672    H    PHE 149           H        PHE 149   1.034  -7.351  -7.351
  673    HA   PHE 149           HA       PHE 149  -0.784  -6.004  -6.004
  674   1HB   PHE 149          2HB       PHE 149  -2.576  -7.911  -7.911
  675   2HB   PHE 149          1HB       PHE 149  -2.988  -6.771  -6.771
  676    HD1  PHE 149           HD2      PHE 149  -0.772  -7.494  -7.494
  677    HD2  PHE 149           HD1      PHE 149  -3.457  -9.886  -9.886
  678    HE1  PHE 149           HE2      PHE 149  -0.582  -9.292  -9.292
  679    HE2  PHE 149           HE1      PHE 149  -3.272 -11.687 -11.687
  680    HZ   PHE 149           HZ       PHE 149  -1.833 -11.391 -11.391
  681    H    CYS 150           H        CYS 150  -2.913  -5.492  -5.492
  682    HA   CYS 150           HA       CYS 150  -1.618  -4.990  -4.990
  683   1HB   CYS 150          1HB       CYS 150  -2.223  -2.606  -2.606
  684   2HB   CYS 150          2HB       CYS 150  -1.101  -3.013  -3.013
  685    HG   CYS 150           HG       CYS 150  -3.508  -3.115  -3.115
  686    H    ALA 151           H        ALA 151  -3.147  -4.117  -4.117
  687    HA   ALA 151           HA       ALA 151  -5.967  -4.427  -4.427
  688   1HB   ALA 151          2HB       ALA 151  -4.917  -6.737  -6.737
  689   2HB   ALA 151          1HB       ALA 151  -4.902  -6.147  -6.147
  690   3HB   ALA 151          3HB       ALA 151  -6.426  -6.267  -6.267
  691    HA   PRO 152           HA       PRO 152  -5.445  -1.062  -1.062
  692   1HB   PRO 152          2HB       PRO 152  -8.095  -0.343  -0.343
  693   2HB   PRO 152          1HB       PRO 152  -6.906   0.226   0.226
  694   1HG   PRO 152          1HG       PRO 152  -8.909  -1.982  -1.982
  695   2HG   PRO 152          2HG       PRO 152  -8.433  -0.761  -0.761
  696   1HD   PRO 152          1HD       PRO 152  -7.509  -3.282  -3.282
  697   2HD   PRO 152          2HD       PRO 152  -6.498  -1.899  -1.899
  698    H    ASP 153           H        ASP 153  -5.475  -1.207  -1.207
  699    HA   ASP 153           HA       ASP 153  -6.238  -3.349  -3.349
  700   1HB   ASP 153          1HB       ASP 153  -6.507  -1.627  -1.627
  701   2HB   ASP 153          2HB       ASP 153  -4.939  -1.794  -1.794
  702    H    ARG 154           H        ARG 154  -8.221  -0.407  -0.407
  703    HA   ARG 154           HA       ARG 154 -10.644  -1.721  -1.721
  704   1HB   ARG 154          1HB       ARG 154  -9.846  -2.093  -2.093
  705   2HB   ARG 154          2HB       ARG 154 -10.856  -0.661  -0.661
  706   1HG   ARG 154          1HG       ARG 154 -12.764  -1.772  -1.772
  707   2HG   ARG 154          2HG       ARG 154 -11.873  -3.018  -3.018
  708   1HD   ARG 154          1HD       ARG 154 -10.992  -3.777  -3.777
  709   2HD   ARG 154          2HD       ARG 154 -12.197  -2.714  -2.714
  710    HE   ARG 154           HE       ARG 154 -13.836  -4.212  -4.212
  711   1HH1  ARG 154          2HH2      ARG 154 -10.872  -5.024  -5.024
  712   2HH1  ARG 154          1HH2      ARG 154 -11.457  -6.549  -6.549
  713   1HH2  ARG 154          2HH1      ARG 154 -14.617  -6.216  -6.216
  714   2HH2  ARG 154          1HH1      ARG 154 -13.587  -7.227  -7.227
  715    H    ASN 155           H        ASN 155  -9.246   0.610   0.610
  716    HA   ASN 155           HA       ASN 155  -9.478   2.866   2.866
  717   1HB   ASN 155          1HB       ASN 155 -11.700   1.456   1.456
  718   2HB   ASN 155          2HB       ASN 155 -12.403   2.783   2.783
  719   1HD2  ASN 155          2HD2      ASN 155 -10.397   3.501   3.501
  720   2HD2  ASN 155          1HD2      ASN 155 -10.183   2.016   2.016
  721    H    HIS 156           H        HIS 156  -9.262   2.248   2.248
  722    HA   HIS 156           HA       HIS 156 -11.221   3.785   3.785
  723   1HB   HIS 156          1HB       HIS 156  -9.741   1.769   1.769
  724   2HB   HIS 156          2HB       HIS 156  -8.589   3.042   3.042
  725    HD1  HIS 156           HD1      HIS 156 -12.354   2.676   2.676
  726    HD2  HIS 156           HD2      HIS 156  -8.840   3.659   3.659
  727    HE1  HIS 156           HE1      HIS 156 -13.014   3.240   3.240
  728    H    GLU 157           H        GLU 157  -8.422   4.603   4.603
  729    HA   GLU 157           HA       GLU 157  -8.748   7.327   7.327
  730   1HB   GLU 157          2HB       GLU 157  -6.834   5.745   5.745
  731   2HB   GLU 157          1HB       GLU 157  -5.952   6.879   6.879
  732   1HG   GLU 157          1HG       GLU 157  -6.180   8.194   8.194
  733   2HG   GLU 157          2HG       GLU 157  -7.725   8.566   8.566
  734    H    ARG 158           H        ARG 158  -8.692   5.585   5.585
  735    HA   ARG 158           HA       ARG 158  -8.084   5.809   5.809
  736   1HB   ARG 158          2HB       ARG 158  -6.782   8.415   8.415
  737   2HB   ARG 158          1HB       ARG 158  -7.476   7.968   7.968
  738   1HG   ARG 158          2HG       ARG 158  -8.941   8.553   8.553
  739   2HG   ARG 158          1HG       ARG 158  -8.966   9.490   9.490
  740   1HD   ARG 158          2HD       ARG 158 -10.683   8.293   8.293
  741   2HD   ARG 158          1HD       ARG 158  -9.713   6.824   6.824
  742    HE   ARG 158           HE       ARG 158 -10.840   6.267   6.267
  743   1HH1  ARG 158          1HH1      ARG 158 -11.364   9.642   9.642
  744   2HH1  ARG 158          2HH1      ARG 158 -12.554   9.841   9.841
  745   1HH2  ARG 158          2HH2      ARG 158 -12.408   6.518   6.518
  746   2HH2  ARG 158          1HH2      ARG 158 -13.147   8.065   8.065
  747    H    GLY 159           H        GLY 159  -6.442   4.204   4.204
  748   1HA   GLY 159          1HA       GLY 159  -3.833   4.753   4.753
  749   2HA   GLY 159          2HA       GLY 159  -3.903   4.311   4.311
  750    H    PHE 160           H        PHE 160  -3.081   3.080   3.080
  751    HA   PHE 160           HA       PHE 160  -4.231   0.430   0.430
  752   1HB   PHE 160          2HB       PHE 160  -3.002   0.552   0.552
  753   2HB   PHE 160          1HB       PHE 160  -4.661   0.152   0.152
  754    HD1  PHE 160           HD2      PHE 160  -5.978   2.430   2.430
  755    HD2  PHE 160           HD1      PHE 160  -2.818   2.179   2.179
  756    HE1  PHE 160           HE2      PHE 160  -6.748   4.524   4.524
  757    HE2  PHE 160           HE1      PHE 160  -3.581   4.272   4.272
  758    HZ   PHE 160           HZ       PHE 160  -5.549   5.449   5.449
  759    H    SER 161           H        SER 161  -2.736  -1.366  -1.366
  760    HA   SER 161           HA       SER 161   0.084  -0.777  -0.777
  761   1HB   SER 161          1HB       SER 161  -0.337  -1.511  -1.511
  762   2HB   SER 161          2HB       SER 161  -1.615  -2.614  -2.614
  763    HG   SER 161           HG       SER 161  -0.179  -4.125  -4.125
  764    H    TYR 162           H        TYR 162   1.405  -1.863  -1.863
  765    HA   TYR 162           HA       TYR 162   0.193  -3.759  -3.759
  766   1HB   TYR 162          2HB       TYR 162   2.951  -2.513  -2.513
  767   2HB   TYR 162          1HB       TYR 162   2.173  -3.422  -3.422
  768    HD1  TYR 162           HD2      TYR 162  -0.484  -1.682  -1.682
  769    HD2  TYR 162           HD1      TYR 162   3.215  -0.937  -0.937
  770    HE1  TYR 162           HE2      TYR 162  -1.400   0.403   0.403
  771    HE2  TYR 162           HE1      TYR 162   2.307   1.152   1.152
  772    HH   TYR 162           HH2      TYR 162   0.347   2.822   2.822
  773    H    ILE 163           H        ILE 163   2.064  -5.416  -5.416
  774    HA   ILE 163           HA       ILE 163   3.637  -6.518  -6.518
  775    HB   ILE 163           HB       ILE 163   2.327  -8.793  -8.793
  776   1HG1  ILE 163          1HG1      ILE 163   0.040  -6.831  -6.831
  777   2HG1  ILE 163          2HG1      ILE 163   0.672  -7.635  -7.635
  778   1HG2  ILE 163          1HG2      ILE 163   2.564  -6.847  -6.847
  779   2HG2  ILE 163          3HG2      ILE 163   0.836  -7.192  -7.192
  780   3HG2  ILE 163          2HG2      ILE 163   1.984  -8.499  -8.499
  781   1HD1  ILE 163          1HD1      ILE 163   0.188  -9.601  -9.601
  782   2HD1  ILE 163          3HD1      ILE 163  -1.241  -8.579  -8.579
  783   3HD1  ILE 163          2HD1      ILE 163  -0.587  -9.396  -9.396
  784    H    CYS 164           H        CYS 164   5.221  -7.805  -7.805
  785    HA   CYS 164           HA       CYS 164   4.974  -8.792  -8.792
  786   1HB   CYS 164          1HB       CYS 164   7.603  -7.755  -7.755
  787   2HB   CYS 164          2HB       CYS 164   7.051  -7.957  -7.957
  788    HG   CYS 164           HG       CYS 164   6.551  -5.572  -5.572
  789    H    ARG 165           H        ARG 165   6.485 -10.542 -10.542
  790    HA   ARG 165           HA       ARG 165   7.187 -12.111 -12.111
  791   1HB   ARG 165          2HB       ARG 165   6.339 -13.203 -13.203
  792   2HB   ARG 165          1HB       ARG 165   6.645 -14.130 -14.130
  793   1HG   ARG 165          2HG       ARG 165   4.731 -13.122 -13.122
  794   2HG   ARG 165          1HG       ARG 165   4.447 -12.098 -12.098
  795   1HD   ARG 165          2HD       ARG 165   4.375 -15.113 -15.113
  796   2HD   ARG 165          1HD       ARG 165   2.958 -14.070 -14.070
  797    HE   ARG 165           HE       ARG 165   3.190 -13.567 -13.567
  798   1HH1  ARG 165          1HH1      ARG 165   5.964 -15.384 -15.384
  799   2HH1  ARG 165          2HH1      ARG 165   6.554 -15.679 -15.679
  800   1HH2  ARG 165          1HH2      ARG 165   3.969 -13.957 -13.957
  801   2HH2  ARG 165          2HH2      ARG 165   5.424 -14.871 -14.871
  802    H    ASP 166           H        ASP 166   9.319 -11.265 -11.265
  803    HA   ASP 166           HA       ASP 166  11.511 -11.101 -11.101
  804   1HB   ASP 166          1HB       ASP 166  12.559 -13.204 -13.204
  805   2HB   ASP 166          2HB       ASP 166  11.204 -13.524 -13.524
  806    H    GLY 167           H        GLY 167  12.922 -12.312 -12.312
  807   1HA   GLY 167          2HA       GLY 167  13.105 -12.295 -12.295
  808   2HA   GLY 167          1HA       GLY 167  11.616 -11.365 -11.365
  809    H    THR 168           H        THR 168  11.697  -9.100  -9.100
  810    HA   THR 168           HA       THR 168  14.317  -7.939  -7.939
  811    HB   THR 168           HB       THR 168  12.044  -6.107  -6.107
  812    HG1  THR 168          1HG       THR 168  10.719  -7.516  -7.516
  813   1HG2  THR 168          2HG2      THR 168  14.467  -6.374  -6.374
  814   2HG2  THR 168          1HG2      THR 168  13.212  -6.585  -6.585
  815   3HG2  THR 168          3HG2      THR 168  13.239  -5.130  -5.130
  816    H    THR 169           H        THR 169  13.343  -8.847  -8.847
  817    HA   THR 169           HA       THR 169  14.080  -6.417  -6.417
  818    HB   THR 169           HB       THR 169  12.035  -7.555  -7.555
  819    HG1  THR 169          1HG       THR 169  11.052  -8.514  -8.514
  820   1HG2  THR 169          2HG2      THR 169  12.590  -5.006  -5.006
  821   2HG2  THR 169          1HG2      THR 169  10.870  -5.351  -5.351
  822   3HG2  THR 169          3HG2      THR 169  11.927  -5.361  -5.361
  823    H    ARG 170           H        ARG 170  12.608  -9.373  -9.373
  824    HA   ARG 170           HA       ARG 170  15.028 -10.670 -10.670
  825   1HB   ARG 170          1HB       ARG 170  14.462 -10.340 -10.340
  826   2HB   ARG 170          2HB       ARG 170  15.610  -9.331  -9.331
  827   1HG   ARG 170          1HG       ARG 170  13.451  -7.870  -7.870
  828   2HG   ARG 170          2HG       ARG 170  12.905  -8.679  -8.679
  829   1HD   ARG 170          2HD       ARG 170  14.112  -7.285  -7.285
  830   2HD   ARG 170          1HD       ARG 170  15.577  -7.839  -7.839
  831    HE   ARG 170           HE       ARG 170  14.170  -5.929  -5.929
  832   1HH1  ARG 170          1HH1      ARG 170  16.296  -6.264  -6.264
  833   2HH1  ARG 170          2HH1      ARG 170  16.977  -4.681  -4.681
  834   1HH2  ARG 170          1HH2      ARG 170  15.058  -3.841  -3.841
  835   2HH2  ARG 170          2HH2      ARG 170  16.273  -3.302  -3.302
  836    H    ARG 171           H        ARG 171  12.170 -10.303 -10.303
  837    HA   ARG 171           HA       ARG 171  11.262 -12.965 -12.965
  838   1HB   ARG 171          1HB       ARG 171  10.913 -13.673 -13.673
  839   2HB   ARG 171          2HB       ARG 171  12.568 -13.092 -13.092
  840   1HG   ARG 171          2HG       ARG 171  12.175 -11.273 -11.273
  841   2HG   ARG 171          1HG       ARG 171  10.466 -11.191 -11.191
  842   1HD   ARG 171          2HD       ARG 171  10.698 -11.904 -11.904
  843   2HD   ARG 171          1HD       ARG 171  10.055 -13.224 -13.224
  844    HE   ARG 171           HE       ARG 171  12.832 -13.494 -13.494
  845   1HH1  ARG 171          2HH1      ARG 171  10.089 -13.647 -13.647
  846   2HH1  ARG 171          1HH1      ARG 171  10.828 -14.782 -14.782
  847   1HH2  ARG 171          1HH2      ARG 171  13.817 -14.990 -14.990
  848   2HH2  ARG 171          2HH2      ARG 171  12.949 -15.546 -15.546
  849    H    TRP 172           H        TRP 172   9.143 -12.861 -12.861
  850    HA   TRP 172           HA       TRP 172   7.148 -11.551 -11.551
  851   1HB   TRP 172          1HB       TRP 172   6.811 -12.153 -12.153
  852   2HB   TRP 172          2HB       TRP 172   5.633 -12.285 -12.285
  853    HD1  TRP 172           HD1      TRP 172   7.842 -14.364 -14.364
  854    HE1  TRP 172           HE1      TRP 172   8.026 -16.744 -16.744
  855    HE3  TRP 172           HE3      TRP 172   5.806 -13.540 -13.540
  856    HZ2  TRP 172          2HZ       TRP 172   7.392 -18.096 -18.096
  857    HZ3  TRP 172           HZ3      TRP 172   5.631 -15.430 -15.430
  858    HH2  TRP 172           HH2      TRP 172   6.408 -17.659 -17.659
  859    H    MET 173           H        MET 173   8.018  -9.439  -9.439
  860    HA   MET 173           HA       MET 173   8.371  -7.765  -7.765
  861   1HB   MET 173          1HB       MET 173   8.607  -7.181  -7.181
  862   2HB   MET 173          2HB       MET 173   8.928  -6.005  -6.005
  863   1HG   MET 173          1HG       MET 173  10.393  -8.440  -8.440
  864   2HG   MET 173          2HG       MET 173  10.724  -7.795  -7.795
  865   1HE   MET 173          2HE       MET 173  10.087  -6.999  -6.999
  866   2HE   MET 173          1HE       MET 173  11.738  -6.678  -6.678
  867   3HE   MET 173          3HE       MET 173  10.644  -5.336  -5.336
  868    H    CYS 174           H        CYS 174   6.820  -6.654  -6.654
  869    HA   CYS 174           HA       CYS 174   4.311  -6.198  -6.198
  870   1HB   CYS 174          2HB       CYS 174   4.992  -6.814  -6.814
  871   2HB   CYS 174          1HB       CYS 174   4.267  -5.210  -5.210
  872    HG   CYS 174           HG       CYS 174   2.215  -6.444  -6.444
  873    H    HIS 175           H        HIS 175   3.326  -4.078  -4.078
  874    HA   HIS 175           HA       HIS 175   5.203  -1.872  -1.872
  875   1HB   HIS 175          2HB       HIS 175   3.573  -2.291  -2.291
  876   2HB   HIS 175          1HB       HIS 175   4.550  -0.870  -0.870
  877    HD1  HIS 175           HD1      HIS 175   6.710  -0.951  -0.951
  878    HD2  HIS 175           HD2      HIS 175   5.405  -4.733  -4.733
  879    HE1  HIS 175           HE1      HIS 175   8.450  -2.580  -2.580
  880    H    GLY 176           H        GLY 176   4.327  -0.320  -0.320
  881   1HA   GLY 176          1HA       GLY 176   1.394  -0.166  -0.166
  882   2HA   GLY 176          2HA       GLY 176   2.533   0.519   0.519
  883    H    PHE 177           H        PHE 177   0.481   1.204   1.204
  884    HA   PHE 177           HA       PHE 177   1.945   3.658   3.658
  885   1HB   PHE 177          1HB       PHE 177   0.038   1.918   1.918
  886   2HB   PHE 177          2HB       PHE 177   0.102   3.633   3.633
  887    HD1  PHE 177           HD1      PHE 177   2.132   4.621   4.621
  888    HD2  PHE 177           HD2      PHE 177   1.848   0.447   0.447
  889    HE1  PHE 177           HE1      PHE 177   4.107   4.226   4.226
  890    HE2  PHE 177           HE2      PHE 177   3.823   0.044   0.044
  891    HZ   PHE 177           HZ       PHE 177   4.954   1.935   1.935
  892    H    LEU 178           H        LEU 178   0.719   5.606   5.606
  893    HA   LEU 178           HA       LEU 178  -1.908   5.787   5.787
  894   1HB   LEU 178          2HB       LEU 178   0.389   6.330   6.330
  895   2HB   LEU 178          1HB       LEU 178  -0.237   7.902   7.902
  896    HG   LEU 178           HG       LEU 178  -1.625   5.757   5.757
  897   1HD1  LEU 178          1HD1      LEU 178  -0.417   8.400   8.400
  898   2HD1  LEU 178          3HD1      LEU 178  -1.925   8.029   8.029
  899   3HD1  LEU 178          2HD1      LEU 178  -0.529   6.968   6.968
  900   1HD2  LEU 178          1HD2      LEU 178  -2.775   8.200   8.200
  901   2HD2  LEU 178          3HD2      LEU 178  -3.308   6.526   6.526
  902   3HD2  LEU 178          2HD2      LEU 178  -3.544   7.394   7.394
  903    H    ALA 179           H        ALA 179  -2.815   6.571   6.571
  904    HA   ALA 179           HA       ALA 179  -1.819   8.125   8.125
  905   1HB   ALA 179          1HB       ALA 179  -4.061   7.200   7.200
  906   2HB   ALA 179          3HB       ALA 179  -4.590   8.360   8.360
  907   3HB   ALA 179          2HB       ALA 179  -4.094   8.922   8.922
  908    H    CYS 180           H        CYS 180  -1.457  10.259  10.259
  909    HA   CYS 180           HA       CYS 180  -0.763  11.968  11.968
  910   1HB   CYS 180          1HB       CYS 180   0.371  12.194  12.194
  911   2HB   CYS 180          2HB       CYS 180  -1.145  12.517  12.517
  912    HG   CYS 180           HG       CYS 180  -0.010  14.559  14.559
  913    H    LYS 181           H        LYS 181  -3.232  12.518  12.518
  914    HA   LYS 181           HA       LYS 181  -4.587  14.571  14.571
  915   1HB   LYS 181          1HB       LYS 181  -5.756  12.484  12.484
  916   2HB   LYS 181          2HB       LYS 181  -6.479  14.040  14.040
  917   1HG   LYS 181          2HG       LYS 181  -5.474  14.793  14.793
  918   2HG   LYS 181          1HG       LYS 181  -3.977  14.733  14.733
  919   1HD   LYS 181          2HD       LYS 181  -4.379  12.123  12.123
  920   2HD   LYS 181          1HD       LYS 181  -4.787  13.155  13.155
  921   1HE   LYS 181          2HE       LYS 181  -2.314  13.763  13.763
  922   2HE   LYS 181          1HE       LYS 181  -2.305  12.365  12.365
  923   1HZ   LYS 181          1HZ       LYS 181  -3.455  14.460  14.460
  924   2HZ   LYS 181          3HZ       LYS 181  -2.075  15.093  15.093
  925   3HZ   LYS 181          2HZ       LYS 181  -1.946  13.743  13.743
  926    H    ASP 182           H        ASP 182  -4.675  11.123  11.123
  927    HA   ASP 182           HA       ASP 182  -5.762   9.755   9.755
  928   1HB   ASP 182          1HB       ASP 182  -4.937  12.123  12.123
  929   2HB   ASP 182          2HB       ASP 182  -6.389  11.431  11.431
  930    H    SER 183           H        SER 183  -7.577   9.757   9.757
  931    HA   SER 183           HA       SER 183 -10.021  10.093  10.093
  932   1HB   SER 183          2HB       SER 183  -9.125  12.397  12.397
  933   2HB   SER 183          1HB       SER 183 -10.483  11.728  11.728
  934    HG   SER 183           HG       SER 183 -11.613  12.751  12.751
  935    H    GLY 184           H        GLY 184  -8.537   8.097   8.097
  936   1HA   GLY 184          2HA       GLY 184  -8.799   6.576   6.576
  937   2HA   GLY 184          1HA       GLY 184 -10.444   6.576   6.576
  938    H    GLU 185           H        GLU 185  -9.010   9.364   9.364
  939    HA   GLU 185           HA       GLU 185 -10.580   8.797   8.797
  940   1HB   GLU 185          1HB       GLU 185 -10.852  11.071  11.071
  941   2HB   GLU 185          2HB       GLU 185 -10.861  11.484  11.484
  942   1HG   GLU 185          1HG       GLU 185 -12.812  10.335  10.335
  943   2HG   GLU 185          2HG       GLU 185 -12.610   9.282   9.282
  944    H    ARG 186           H        ARG 186  -7.953   8.286   8.286
  945    HA   ARG 186           HA       ARG 186  -6.908   9.619   9.619
  946   1HB   ARG 186          1HB       ARG 186  -6.732  11.248  11.248
  947   2HB   ARG 186          2HB       ARG 186  -5.106  10.760  10.760
  948   1HG   ARG 186          2HG       ARG 186  -5.098  12.371  12.371
  949   2HG   ARG 186          1HG       ARG 186  -6.374  11.516  11.516
  950   1HD   ARG 186          2HD       ARG 186  -7.916  13.013  13.013
  951   2HD   ARG 186          1HD       ARG 186  -7.391  12.997  12.997
  952    HE   ARG 186           HE       ARG 186  -5.618  14.452  14.452
  953   1HH1  ARG 186          1HH1      ARG 186  -8.545  14.628  14.628
  954   2HH1  ARG 186          2HH1      ARG 186  -8.457  16.345  16.345
  955   1HH2  ARG 186          1HH2      ARG 186  -5.491  16.714  16.714
  956   2HH2  ARG 186          2HH2      ARG 186  -6.720  17.530  17.530
  957    H    LEU 187           H        LEU 187  -6.245   8.093   8.093
  958    HA   LEU 187           HA       LEU 187  -3.892   6.763   6.763
  959   1HB   LEU 187          1HB       LEU 187  -4.616   7.581   7.581
  960   2HB   LEU 187          2HB       LEU 187  -3.545   6.215   6.215
  961    HG   LEU 187           HG       LEU 187  -2.555   8.601   8.601
  962   1HD1  LEU 187          1HD2      LEU 187  -1.645   6.577   6.577
  963   2HD1  LEU 187          3HD2      LEU 187  -0.678   7.994   7.994
  964   3HD1  LEU 187          2HD2      LEU 187  -1.098   6.823   6.823
  965   1HD2  LEU 187          1HD1      LEU 187  -3.216   8.657   8.657
  966   2HD2  LEU 187          3HD1      LEU 187  -3.793   9.769   9.769
  967   3HD2  LEU 187          2HD1      LEU 187  -2.085   9.754   9.754
  968    H    SER 188           H        SER 188  -6.962   6.322   6.322
  969    HA   SER 188           HA       SER 188  -6.627   3.447   3.447
  970   1HB   SER 188          2HB       SER 188  -7.868   4.822   4.822
  971   2HB   SER 188          1HB       SER 188  -9.134   5.060   5.060
  972    HG   SER 188           HG       SER 188  -9.196   2.690   2.690
  973    H    HIS 189           H        HIS 189  -9.199   5.450   5.450
  974    HA   HIS 189           HA       HIS 189 -10.242   3.445   3.445
  975   1HB   HIS 189          2HB       HIS 189 -10.471   6.375   6.375
  976   2HB   HIS 189          1HB       HIS 189 -10.818   5.704   5.704
  977    HD1  HIS 189           HD1      HIS 189 -11.784   4.467   4.467
  978    HD2  HIS 189           HD2      HIS 189 -13.477   5.503   5.503
  979    HE1  HIS 189           HE1      HIS 189 -14.262   4.011   4.011
  980    H    ALA 190           H        ALA 190  -7.507   5.560   5.560
  981    HA   ALA 190           HA       ALA 190  -7.244   5.155   5.155
  982   1HB   ALA 190          2HB       ALA 190  -6.043   6.801   6.801
  983   2HB   ALA 190          1HB       ALA 190  -4.761   5.630   5.630
  984   3HB   ALA 190          3HB       ALA 190  -5.481   6.533   6.533
  985    H    VAL 191           H        VAL 191  -5.087   3.944   3.944
  986    HA   VAL 191           HA       VAL 191  -3.795   2.024   2.024
  987    HB   VAL 191           HB       VAL 191  -4.410   1.754   1.754
  988   1HG1  VAL 191          1HG2      VAL 191  -2.445   0.495   0.495
  989   2HG1  VAL 191          3HG2      VAL 191  -2.055   0.675   0.675
  990   3HG1  VAL 191          2HG2      VAL 191  -3.469  -0.258  -0.258
  991   1HG2  VAL 191          2HG1      VAL 191  -3.172   3.902   3.902
  992   2HG2  VAL 191          1HG1      VAL 191  -2.924   3.356   3.356
  993   3HG2  VAL 191          3HG1      VAL 191  -1.812   2.849   2.849
  994    H    GLY 192           H        GLY 192  -6.692   1.638   1.638
  995   1HA   GLY 192          1HA       GLY 192  -7.147  -1.069  -1.069
  996   2HA   GLY 192          2HA       GLY 192  -8.426   0.130   0.130
  997    H    CYS 193           H        CYS 193  -7.762   1.543   1.543
  998    HA   CYS 193           HA       CYS 193  -9.029  -0.226  -0.226
  999   1HB   CYS 193          2HB       CYS 193  -9.693   2.206   2.206
 1000   2HB   CYS 193          1HB       CYS 193  -8.176   2.647   2.647
 1001    HG   CYS 193           HG       CYS 193 -10.583   2.238   2.238
 1002    H    ALA 194           H        ALA 194  -5.978   1.321   1.321
 1003    HA   ALA 194           HA       ALA 194  -4.660   1.112   1.112
 1004   1HB   ALA 194          2HB       ALA 194  -3.937   2.067   2.067
 1005   2HB   ALA 194          1HB       ALA 194  -3.211   0.474   0.474
 1006   3HB   ALA 194          3HB       ALA 194  -2.725   1.493   1.493
 1007    H    PHE 195           H        PHE 195  -5.364  -1.350  -1.350
 1008    HA   PHE 195           HA       PHE 195  -3.681  -3.364  -3.364
 1009   1HB   PHE 195          1HB       PHE 195  -5.903  -3.332  -3.332
 1010   2HB   PHE 195          2HB       PHE 195  -5.314  -4.868  -4.868
 1011    HD1  PHE 195           HD2      PHE 195  -2.858  -5.408  -5.408
 1012    HD2  PHE 195           HD1      PHE 195  -4.761  -2.210  -2.210
 1013    HE1  PHE 195           HE2      PHE 195  -1.018  -5.372  -5.372
 1014    HE2  PHE 195           HE1      PHE 195  -2.924  -2.168  -2.168
 1015    HZ   PHE 195           HZ       PHE 195  -1.049  -3.750  -3.750
 1016    H    ALA 196           H        ALA 196  -6.756  -2.099  -2.099
 1017    HA   ALA 196           HA       ALA 196  -8.197  -4.149  -4.149
 1018   1HB   ALA 196          3HB       ALA 196  -7.760  -1.454  -1.454
 1019   2HB   ALA 196          2HB       ALA 196  -9.075  -2.565  -2.565
 1020   3HB   ALA 196          1HB       ALA 196  -8.964  -1.850  -1.850
 1021    H    VAL 197           H        VAL 197  -5.775  -2.329  -2.329
 1022    HA   VAL 197           HA       VAL 197  -5.829  -3.821  -3.821
 1023    HB   VAL 197           HB       VAL 197  -3.559  -3.025  -3.025
 1024   1HG1  VAL 197          3HG1      VAL 197  -5.752  -1.528  -1.528
 1025   2HG1  VAL 197          2HG1      VAL 197  -4.797  -0.693  -0.693
 1026   3HG1  VAL 197          1HG1      VAL 197  -4.169  -0.868  -0.868
 1027   1HG2  VAL 197          3HG2      VAL 197  -3.678  -2.302  -2.302
 1028   2HG2  VAL 197          2HG2      VAL 197  -2.515  -3.351  -3.351
 1029   3HG2  VAL 197          1HG2      VAL 197  -2.498  -1.612  -1.612
 1030    H    CYS 198           H        CYS 198  -3.853  -4.354  -4.354
 1031    HA   CYS 198           HA       CYS 198  -2.385  -6.557  -6.557
 1032   1HB   CYS 198          2HB       CYS 198  -1.858  -5.450  -5.450
 1033   2HB   CYS 198          1HB       CYS 198  -3.422  -5.901  -5.901
 1034    HG   CYS 198           HG       CYS 198  -2.485  -8.047  -8.047
 1035    H    LEU 199           H        LEU 199  -5.685  -6.234  -6.234
 1036    HA   LEU 199           HA       LEU 199  -6.101  -9.104  -9.104
 1037   1HB   LEU 199          1HB       LEU 199  -7.598  -7.333  -7.333
 1038   2HB   LEU 199          2HB       LEU 199  -7.976  -9.011  -9.011
 1039    HG   LEU 199           HG       LEU 199  -5.385  -9.244  -9.244
 1040   1HD1  LEU 199          1HD1      LEU 199  -6.330  -6.660  -6.660
 1041   2HD1  LEU 199          3HD1      LEU 199  -5.707  -7.718  -7.718
 1042   3HD1  LEU 199          2HD1      LEU 199  -4.692  -7.304  -7.304
 1043   1HD2  LEU 199          2HD2      LEU 199  -7.280 -10.548 -10.548
 1044   2HD2  LEU 199          1HD2      LEU 199  -6.245 -10.008 -10.008
 1045   3HD2  LEU 199          3HD2      LEU 199  -7.777  -9.191  -9.191
 1046    H    GLU 200           H        GLU 200  -6.164  -7.248  -7.248
 1047    HA   GLU 200           HA       GLU 200  -8.471  -5.954  -5.954
 1048   1HB   GLU 200          2HB       GLU 200  -6.580  -5.930  -5.930
 1049   2HB   GLU 200          1HB       GLU 200  -6.734  -7.656  -7.656
 1050   1HG   GLU 200          2HG       GLU 200  -7.572  -6.440  -6.440
 1051   2HG   GLU 200          1HG       GLU 200  -8.913  -7.246  -7.246
 1052    H    ARG 201           H        ARG 201  -8.000  -9.394  -9.394
 1053    HA   ARG 201           HA       ARG 201 -10.804  -9.805  -9.805
 1054   1HB   ARG 201          2HB       ARG 201  -8.689 -11.945 -11.945
 1055   2HB   ARG 201          1HB       ARG 201 -10.256 -11.928 -11.928
 1056   1HG   ARG 201          2HG       ARG 201  -8.750  -9.689  -9.689
 1057   2HG   ARG 201          1HG       ARG 201  -7.753 -11.140 -11.140
 1058   1HD   ARG 201          2HD       ARG 201  -9.015 -12.015 -12.015
 1059   2HD   ARG 201          1HD       ARG 201 -10.523 -11.486 -11.486
 1060    HE   ARG 201           HE       ARG 201  -9.486  -9.181  -9.181
 1061   1HH1  ARG 201          1HH2      ARG 201 -10.025 -12.292 -12.292
 1062   2HH1  ARG 201          2HH2      ARG 201 -10.278 -11.643 -11.643
 1063   1HH2  ARG 201          1HH1      ARG 201  -9.816  -8.317  -8.317
 1064   2HH2  ARG 201          2HH1      ARG 201 -10.158  -9.382  -9.382
 1065    H    LYS 202           H        LYS 202  -9.640  -9.161  -9.161
 1066    HA   LYS 202           HA       LYS 202  -9.751  -9.814  -9.814
 1067   1HB   LYS 202          2HB       LYS 202 -12.112 -11.327 -11.327
 1068   2HB   LYS 202          1HB       LYS 202 -11.809 -11.106 -11.106
 1069   1HG   LYS 202          1HG       LYS 202 -12.428  -8.984  -8.984
 1070   2HG   LYS 202          2HG       LYS 202 -13.426  -9.498  -9.498
 1071   1HD   LYS 202          1HD       LYS 202 -11.012  -8.793  -8.793
 1072   2HD   LYS 202          2HD       LYS 202 -11.255  -7.575  -7.575
 1073   1HE   LYS 202          2HE       LYS 202 -13.271  -8.327  -8.327
 1074   2HE   LYS 202          1HE       LYS 202 -12.227  -6.907  -6.907
 1075   1HZ   LYS 202          3HZ       LYS 202 -13.310  -6.452  -6.452
 1076   2HZ   LYS 202          2HZ       LYS 202 -14.541  -7.452  -7.452
 1077   3HZ   LYS 202          1HZ       LYS 202 -14.131  -6.038  -6.038
 1078    H    GLN 203           H        GLN 203  -7.804 -11.203 -11.203
 1079    HA   GLN 203           HA       GLN 203  -8.156 -14.036 -14.036
 1080   1HB   GLN 203          2HB       GLN 203  -6.111 -12.353 -12.353
 1081   2HB   GLN 203          1HB       GLN 203  -5.568 -13.878 -13.878
 1082   1HG   GLN 203          1HG       GLN 203  -8.016 -14.019 -14.019
 1083   2HG   GLN 203          2HG       GLN 203  -6.541 -13.599 -13.599
 1084   1HE2  GLN 203          2HE2      GLN 203  -6.971 -17.303 -17.303
 1085   2HE2  GLN 203          1HE2      GLN 203  -7.930 -15.970 -15.970
 1086    H    ARG 204           H        ARG 204  -8.500 -12.819 -12.819
 1087    HA   ARG 204           HA       ARG 204  -6.147 -12.389 -12.389
 1088   1HB   ARG 204          1HB       ARG 204  -7.602 -12.426 -12.426
 1089   2HB   ARG 204          2HB       ARG 204  -8.352 -11.502 -11.502
 1090   1HG   ARG 204          2HG       ARG 204  -9.234 -14.159 -14.159
 1091   2HG   ARG 204          1HG       ARG 204  -9.358 -13.762 -13.762
 1092   1HD   ARG 204          1HD       ARG 204 -11.208 -12.609 -12.609
 1093   2HD   ARG 204          2HD       ARG 204 -10.292 -11.524 -11.524
 1094    HE   ARG 204           HE       ARG 204 -11.313 -12.496 -12.496
 1095   1HH1  ARG 204          1HH2      ARG 204 -11.413 -14.734 -14.734
 1096   2HH1  ARG 204          2HH2      ARG 204 -12.359 -15.908 -15.908
 1097   1HH2  ARG 204          1HH1      ARG 204 -12.558 -14.037 -14.037
 1098   2HH2  ARG 204          2HH1      ARG 204 -13.009 -15.512 -15.512
 1099    H    ARG 205           H        ARG 205  -4.708 -13.845 -13.845
 1100    HA   ARG 205           HA       ARG 205  -5.434 -16.673 -16.673
 1101   1HB   ARG 205          2HB       ARG 205  -3.239 -15.454 -15.454
 1102   2HB   ARG 205          1HB       ARG 205  -2.666 -15.829 -15.829
 1103   1HG   ARG 205          2HG       ARG 205  -2.918 -18.138 -18.138
 1104   2HG   ARG 205          1HG       ARG 205  -3.913 -17.909 -17.909
 1105   1HD   ARG 205          1HD       ARG 205  -1.843 -18.520 -18.520
 1106   2HD   ARG 205          2HD       ARG 205  -1.841 -16.761 -16.761
 1107    HE   ARG 205           HE       ARG 205  -0.676 -17.239 -17.239
 1108   1HH1  ARG 205          1HH2      ARG 205  -0.073 -18.329 -18.329
 1109   2HH1  ARG 205          2HH2      ARG 205   1.632 -18.513 -18.513
 1110   1HH2  ARG 205          1HH1      ARG 205   1.567 -17.476 -17.476
 1111   2HH2  ARG 205          2HH1      ARG 205   2.566 -18.027 -18.027
 1112    H    THR 206           H        THR 206  -6.747 -16.469 -16.469
 1113    HA   THR 206           HA       THR 206  -5.104 -16.420 -16.420
 1114    HB   THR 206           HB       THR 206  -6.515 -14.544 -14.544
 1115    HG1  THR 206          1HG       THR 206  -8.013 -15.177 -15.177
 1116   1HG2  THR 206          2HG2      THR 206  -8.456 -16.172 -16.172
 1117   2HG2  THR 206          1HG2      THR 206  -9.129 -15.166 -15.166
 1118   3HG2  THR 206          3HG2      THR 206  -8.183 -14.429 -14.429
 1119    H    ARG 207           H        ARG 207  -4.767 -18.503 -18.503
 1120    HA   ARG 207           HA       ARG 207  -5.212 -20.601 -20.601
 1121   1HB   ARG 207          2HB       ARG 207  -7.256 -19.267 -19.267
 1122   2HB   ARG 207          1HB       ARG 207  -8.166 -20.183 -20.183
 1123   1HG   ARG 207          2HG       ARG 207  -8.168 -21.966 -21.966
 1124   2HG   ARG 207          1HG       ARG 207  -6.406 -21.942 -21.942
 1125   1HD   ARG 207          2HD       ARG 207  -6.440 -20.512 -20.512
 1126   2HD   ARG 207          1HD       ARG 207  -8.152 -20.153 -20.153
 1127    HE   ARG 207           HE       ARG 207  -8.160 -22.814 -22.814
 1128   1HH1  ARG 207          2HH1      ARG 207  -6.681 -20.173 -20.173
 1129   2HH1  ARG 207          1HH1      ARG 207  -6.769 -20.959 -20.959
 1130   1HH2  ARG 207          2HH2      ARG 207  -8.281 -23.858 -23.858
 1131   2HH2  ARG 207          1HH2      ARG 207  -7.678 -23.054 -23.054
 1132    H    ALA 208           H        ALA 208  -7.914 -19.842 -19.842
 1133    HA   ALA 208           HA       ALA 208  -6.884 -21.716 -21.716
 1134   1HB   ALA 208          1HB       ALA 208  -9.021 -22.425 -22.425
 1135   2HB   ALA 208          3HB       ALA 208  -9.506 -22.564 -22.564
 1136   3HB   ALA 208          2HB       ALA 208  -8.093 -23.441 -23.441
 1137    H    ALA 209           H        ALA 209 -10.235 -20.705 -20.705
 1138    HA   ALA 209           HA       ALA 209 -10.235 -18.377 -18.377
 1139   1HB   ALA 209          2HB       ALA 209  -9.668 -20.558 -20.558
 1140   2HB   ALA 209          1HB       ALA 209 -11.372 -20.207 -20.207
 1141   3HB   ALA 209          3HB       ALA 209 -10.160 -18.946 -18.946
 1142    H    ALA 210           H        ALA 210 -11.586 -19.185 -19.185
 1143    HA   ALA 210           HA       ALA 210 -13.656 -19.094 -19.094
 1144   1HB   ALA 210          2HB       ALA 210 -13.868 -17.570 -17.570
 1145   2HB   ALA 210          1HB       ALA 210 -15.251 -18.661 -18.661
 1146   3HB   ALA 210          3HB       ALA 210 -15.023 -17.628 -17.628
 1147   1H    ALA   1          3HT       ALA   1 -13.785  -6.804  -6.804
 1148   2H    ALA   1          2HT       ALA   1 -13.976  -6.486  -6.486
 1149   3H    ALA   1          1HT       ALA   1 -14.864  -5.577  -5.577
 1150    HA   ALA   1           HA       ALA   1 -13.235  -4.148  -4.148
 1151   1HB   ALA   1          3HB       ALA   1 -11.545  -6.598  -6.598
 1152   2HB   ALA   1          2HB       ALA   1 -10.807  -5.005  -5.005
 1153   3HB   ALA   1          1HB       ALA   1 -11.904  -5.333  -5.333
 1154    H    TYR   2           H        TYR   2 -11.174  -6.401  -6.401
 1155    HA   TYR   2           HA       TYR   2 -11.881  -5.653  -5.653
 1156   1HB   TYR   2          1HB       TYR   2  -9.421  -4.375  -4.375
 1157   2HB   TYR   2          2HB       TYR   2 -11.000  -3.607  -3.607
 1158    HD1  TYR   2           HD2      TYR   2  -9.210  -5.061  -5.061
 1159    HD2  TYR   2           HD1      TYR   2 -10.778  -1.573  -1.573
 1160    HE1  TYR   2           HE2      TYR   2  -8.689  -3.754  -3.754
 1161    HE2  TYR   2           HE1      TYR   2 -10.263  -0.258  -0.258
 1162    HH   TYR   2           HH2      TYR   2  -9.955  -1.069  -1.069
 1163    H    ILE   3           H        ILE   3  -8.504  -5.650  -5.650
 1164    HA   ILE   3           HA       ILE   3  -8.255  -8.469  -8.469
 1165    HB   ILE   3           HB       ILE   3  -6.457  -6.329  -6.329
 1166   1HG1  ILE   3          1HG1      ILE   3  -7.542  -7.278  -7.278
 1167   2HG1  ILE   3          2HG1      ILE   3  -8.843  -7.776  -7.776
 1168   1HG2  ILE   3          2HG2      ILE   3  -5.856  -8.918  -8.918
 1169   2HG2  ILE   3          1HG2      ILE   3  -6.493  -9.036  -9.036
 1170   3HG2  ILE   3          3HG2      ILE   3  -5.135  -7.964  -7.964
 1171   1HD1  ILE   3          3HD1      ILE   3  -8.087  -5.020  -5.020
 1172   2HD1  ILE   3          2HD1      ILE   3  -8.570  -5.325  -5.325
 1173   3HD1  ILE   3          1HD1      ILE   3  -9.667  -5.722  -5.722
 1174    H    GLY   4           H        GLY   4  -8.207  -7.847  -7.847
 1175   1HA   GLY   4          2HA       GLY   4  -5.563  -8.534  -8.534
 1176   2HA   GLY   4          1HA       GLY   4  -5.986  -6.892  -6.892
 1177    HA   PRO   5           HA       PRO   5  -8.309  -8.466  -8.466
 1178   1HB   PRO   5          2HB       PRO   5 -10.595  -6.728  -6.728
 1179   2HB   PRO   5          1HB       PRO   5  -9.319  -6.587  -6.587
 1180   1HG   PRO   5          1HG       PRO   5  -9.598  -4.844  -4.844
 1181   2HG   PRO   5          2HG       PRO   5  -8.029  -5.231  -5.231
 1182   1HD   PRO   5          2HD       PRO   5  -9.258  -6.299  -6.299
 1183   2HD   PRO   5          1HD       PRO   5  -7.587  -5.770  -5.770
 1184   1HN   PTR   6           H        PTR   6  -9.439  -9.036  -9.036
 1185    HA   PTR   6           HA       PTR   6 -11.314 -11.018 -11.018
 1186   1HB   PTR   6          1HB       PTR   6 -12.213  -8.690  -8.690
 1187   2HB   PTR   6          2HB       PTR   6 -12.788  -9.111  -9.111
 1188    HD1  PTR   6           HD1      PTR   6 -12.799 -10.206 -10.206
 1189    HD2  PTR   6           HD2      PTR   6 -14.737 -10.513 -10.513
 1190    HE1  PTR   6           HE1      PTR   6 -13.451 -12.557 -12.557
 1191    HE2  PTR   6           HE2      PTR   6 -15.659 -12.717 -12.717
 1192    H    LEU   7           H        LEU   7  -9.959  -9.366  -9.366
 1193    HA   LEU   7           HA       LEU   7  -9.163 -10.151 -10.151
 1194   1HB   LEU   7          2HB       LEU   7  -9.483 -12.926 -12.926
 1195   2HB   LEU   7          1HB       LEU   7  -8.355 -12.361 -12.361
 1196    HG   LEU   7           HG       LEU   7  -6.894 -12.523 -12.523
 1197   1HD1  LEU   7          1HD1      LEU   7  -7.513  -9.968  -9.968
 1198   2HD1  LEU   7          3HD1      LEU   7  -7.890 -10.063 -10.063
 1199   3HD1  LEU   7          2HD1      LEU   7  -6.274 -10.476 -10.476
 1200   1HD2  LEU   7          1HD2      LEU   7  -9.076 -13.208 -13.208
 1201   2HD2  LEU   7          3HD2      LEU   7  -7.451 -13.066 -13.066
 1202   3HD2  LEU   7          2HD2      LEU   7  -8.589 -11.727 -11.727

  Start of MODEL   12
    1    HA   SER  64           HA       SER  64 -20.727  10.173  10.173
    2   1HB   SER  64          1HB       SER  64 -19.181  10.740  10.740
    3   2HB   SER  64          2HB       SER  64 -18.806  12.097  12.097
    4    HG   SER  64           HG       SER  64 -21.059  12.483  12.483
    5    H    LYS  65           H        LYS  65 -17.540   9.980   9.980
    6    HA   LYS  65           HA       LYS  65 -16.429  10.948  10.948
    7   1HB   LYS  65          1HB       LYS  65 -19.260  10.683  10.683
    8   2HB   LYS  65          2HB       LYS  65 -18.254  11.709  11.709
    9   1HG   LYS  65          2HG       LYS  65 -16.664   9.837   9.837
   10   2HG   LYS  65          1HG       LYS  65 -17.759   8.820   8.820
   11   1HD   LYS  65          1HD       LYS  65 -19.201   8.564   8.564
   12   2HD   LYS  65          2HD       LYS  65 -18.995  10.228  10.228
   13   1HE   LYS  65          1HE       LYS  65 -17.070   9.707   9.707
   14   2HE   LYS  65          2HE       LYS  65 -16.834   8.182   8.182
   15   1HZ   LYS  65          1HZ       LYS  65 -19.286   8.529   8.529
   16   2HZ   LYS  65          3HZ       LYS  65 -17.842   8.245   8.245
   17   3HZ   LYS  65          2HZ       LYS  65 -18.392   7.126   7.126
   18    HA   PRO  66           HA       PRO  66 -17.519  15.213  15.213
   19   1HB   PRO  66          1HB       PRO  66 -14.560  15.053  15.053
   20   2HB   PRO  66          2HB       PRO  66 -15.641  15.796  15.796
   21   1HG   PRO  66          2HG       PRO  66 -14.509  13.419  13.419
   22   2HG   PRO  66          1HG       PRO  66 -16.167  13.771  13.771
   23   1HD   PRO  66          1HD       PRO  66 -15.204  12.045  12.045
   24   2HD   PRO  66          2HD       PRO  66 -16.701  11.942  11.942
   25    H    HIS  67           H        HIS  67 -14.581  14.597  14.597
   26    HA   HIS  67           HA       HIS  67 -15.525  15.747  15.747
   27   1HB   HIS  67          1HB       HIS  67 -14.747  17.648  17.648
   28   2HB   HIS  67          2HB       HIS  67 -13.595  17.719  17.719
   29    HD1  HIS  67           HD1      HIS  67 -17.416  17.535  17.535
   30    HD2  HIS  67           HD2      HIS  67 -14.361  19.555  19.555
   31    HE1  HIS  67           HE1      HIS  67 -18.540  19.169  19.169
   32    H    GLN  68           H        GLN  68 -12.447  16.109  16.109
   33    HA   GLN  68           HA       GLN  68 -10.906  15.235  15.235
   34   1HB   GLN  68          2HB       GLN  68 -10.328  15.948  15.948
   35   2HB   GLN  68          1HB       GLN  68  -9.113  15.053  15.053
   36   1HG   GLN  68          1HG       GLN  68 -10.063  17.236  17.236
   37   2HG   GLN  68          2HG       GLN  68  -9.578  17.820  17.820
   38   1HE2  GLN  68          2HE2      GLN  68  -6.543  18.050  18.050
   39   2HE2  GLN  68          1HE2      GLN  68  -8.055  18.859  18.859
   40    H    TRP  69           H        TRP  69 -12.475  13.659  13.659
   41    HA   TRP  69           HA       TRP  69 -11.024  11.363  11.363
   42   1HB   TRP  69          1HB       TRP  69 -13.581  12.266  12.266
   43   2HB   TRP  69          2HB       TRP  69 -13.861  10.763  10.763
   44    HD1  TRP  69           HD1      TRP  69 -10.738  11.120  11.120
   45    HE1  TRP  69           HE1      TRP  69 -10.938   9.524   9.524
   46    HE3  TRP  69           HE3      TRP  69 -15.577   9.602   9.602
   47    HZ2  TRP  69          2HZ       TRP  69 -12.888   7.843   7.843
   48    HZ3  TRP  69           HZ3      TRP  69 -16.534   7.997   7.997
   49    HH2  TRP  69           HH2      TRP  69 -15.216   7.137   7.137
   50    H    GLN  70           H        GLN  70 -13.059  12.217  12.217
   51    HA   GLN  70           HA       GLN  70 -13.198   9.641   9.641
   52   1HB   GLN  70          1HB       GLN  70 -14.079  10.727  10.727
   53   2HB   GLN  70          2HB       GLN  70 -14.683  11.611  11.611
   54   1HG   GLN  70          1HG       GLN  70 -12.686  13.177  13.177
   55   2HG   GLN  70          2HG       GLN  70 -12.596  12.425  12.425
   56   1HE2  GLN  70          1HE2      GLN  70 -14.743  14.932  14.932
   57   2HE2  GLN  70          2HE2      GLN  70 -13.165  14.233  14.233
   58    H    ALA  71           H        ALA  71 -10.955  12.343  12.343
   59    HA   ALA  71           HA       ALA  71  -9.459  11.213  11.213
   60   1HB   ALA  71          2HB       ALA  71  -9.428  13.605  13.605
   61   2HB   ALA  71          1HB       ALA  71  -8.624  13.284  13.284
   62   3HB   ALA  71          3HB       ALA  71  -7.800  12.927  12.927
   63    H    ASP  72           H        ASP  72  -8.925  11.339  11.339
   64    HA   ASP  72           HA       ASP  72  -6.494   9.940   9.940
   65   1HB   ASP  72          2HB       ASP  72  -8.653  10.135  10.135
   66   2HB   ASP  72          1HB       ASP  72  -7.041   9.483   9.483
   67    H    GLU  73           H        GLU  73  -9.842   8.821   8.821
   68    HA   GLU  73           HA       GLU  73  -9.408   6.141   6.141
   69   1HB   GLU  73          2HB       GLU  73 -11.587   7.733   7.733
   70   2HB   GLU  73          1HB       GLU  73 -11.509   6.440   6.440
   71   1HG   GLU  73          2HG       GLU  73 -12.602   5.166   5.166
   72   2HG   GLU  73          1HG       GLU  73 -11.155   5.170   5.170
   73    H    GLU  74           H        GLU  74  -8.963   7.905   7.905
   74    HA   GLU  74           HA       GLU  74  -8.566   5.486   5.486
   75   1HB   GLU  74          2HB       GLU  74  -9.531   7.899   7.899
   76   2HB   GLU  74          1HB       GLU  74  -7.839   8.137   8.137
   77   1HG   GLU  74          1HG       GLU  74  -7.904   6.655   6.655
   78   2HG   GLU  74          2HG       GLU  74  -9.120   5.640   5.640
   79    H    ALA  75           H        ALA  75  -6.705   7.843   7.843
   80    HA   ALA  75           HA       ALA  75  -4.222   7.632   7.632
   81   1HB   ALA  75          3HB       ALA  75  -5.169   8.387   8.387
   82   2HB   ALA  75          2HB       ALA  75  -3.473   7.918   7.918
   83   3HB   ALA  75          1HB       ALA  75  -4.100   9.246   9.246
   84    H    VAL  76           H        VAL  76  -5.561   5.731   5.731
   85    HA   VAL  76           HA       VAL  76  -3.359   4.038   4.038
   86    HB   VAL  76           HB       VAL  76  -5.901   4.354   4.354
   87   1HG1  VAL  76          1HG1      VAL  76  -5.452   1.523   1.523
   88   2HG1  VAL  76          3HG1      VAL  76  -6.410   1.930   1.930
   89   3HG1  VAL  76          2HG1      VAL  76  -6.904   2.512   2.512
   90   1HG2  VAL  76          3HG2      VAL  76  -3.733   4.308   4.308
   91   2HG2  VAL  76          2HG2      VAL  76  -4.876   3.191   3.191
   92   3HG2  VAL  76          1HG2      VAL  76  -3.611   2.575   2.575
   93    H    ARG  77           H        ARG  77  -6.275   3.697   3.697
   94    HA   ARG  77           HA       ARG  77  -5.824   1.106   1.106
   95   1HB   ARG  77          1HB       ARG  77  -7.655   3.172   3.172
   96   2HB   ARG  77          2HB       ARG  77  -6.921   2.804   2.804
   97   1HG   ARG  77          1HG       ARG  77  -8.224   0.797   0.797
   98   2HG   ARG  77          2HG       ARG  77  -8.964   1.514   1.514
   99   1HD   ARG  77          2HD       ARG  77  -7.012   0.593   0.593
  100   2HD   ARG  77          1HD       ARG  77  -6.581  -0.319  -0.319
  101    HE   ARG  77           HE       ARG  77  -8.704  -0.894  -0.894
  102   1HH1  ARG  77          2HH1      ARG  77  -7.637  -1.224  -1.224
  103   2HH1  ARG  77          1HH1      ARG  77  -8.600  -2.629  -2.629
  104   1HH2  ARG  77          2HH2      ARG  77  -9.976  -2.745  -2.745
  105   2HH2  ARG  77          1HH2      ARG  77  -9.931  -3.495  -3.495
  106    H    SER  78           H        SER  78  -4.686   4.232   4.232
  107    HA   SER  78           HA       SER  78  -3.077   2.888   2.888
  108   1HB   SER  78          2HB       SER  78  -3.868   5.744   5.744
  109   2HB   SER  78          1HB       SER  78  -2.499   5.371   5.371
  110    HG   SER  78           HG       SER  78  -5.155   5.166   5.166
  111    H    ALA  79           H        ALA  79  -2.572   2.925   2.925
  112    HA   ALA  79           HA       ALA  79  -0.832   3.148   3.148
  113   1HB   ALA  79          2HB       ALA  79   0.676   2.677   2.677
  114   2HB   ALA  79          1HB       ALA  79   1.377   2.560   2.560
  115   3HB   ALA  79          3HB       ALA  79   0.092   1.453   1.453
  116    H    THR  80           H        THR  80  -1.235   5.367   5.367
  117    HA   THR  80           HA       THR  80   0.978   7.040   7.040
  118    HB   THR  80           HB       THR  80   0.497   7.360   7.360
  119    HG1  THR  80          1HG       THR  80   1.005   9.269   9.269
  120   1HG2  THR  80          1HG2      THR  80  -2.318   8.011   8.011
  121   2HG2  THR  80          3HG2      THR  80  -1.642   8.293   8.293
  122   3HG2  THR  80          2HG2      THR  80  -1.780   6.648   6.648
  123    H    CYS  81           H        CYS  81  -0.599   6.323   6.323
  124    HA   CYS  81           HA       CYS  81  -1.959   8.849   8.849
  125   1HB   CYS  81          1HB       CYS  81  -3.675   7.199   7.199
  126   2HB   CYS  81          2HB       CYS  81  -2.673   6.015   6.015
  127    HG   CYS  81           HG       CYS  81  -3.107   7.212   7.212
  128    H    SER  82           H        SER  82  -0.749   9.972   9.972
  129    HA   SER  82           HA       SER  82   0.638   8.489   8.489
  130   1HB   SER  82          2HB       SER  82   1.875  11.047  11.047
  131   2HB   SER  82          1HB       SER  82   2.623   9.480   9.480
  132    HG   SER  82           HG       SER  82   2.202  10.631  10.631
  133    H    PHE  83           H        PHE  83   0.594   9.391   9.391
  134    HA   PHE  83           HA       PHE  83  -0.547  12.027  12.027
  135   1HB   PHE  83          1HB       PHE  83  -1.945   9.496   9.496
  136   2HB   PHE  83          2HB       PHE  83  -2.245  11.038  11.038
  137    HD1  PHE  83           HD2      PHE  83  -2.715  13.023  13.023
  138    HD2  PHE  83           HD1      PHE  83  -3.397   8.883   8.883
  139    HE1  PHE  83           HE2      PHE  83  -4.366  13.598  13.598
  140    HE2  PHE  83           HE1      PHE  83  -5.050   9.450   9.450
  141    HZ   PHE  83           HZ       PHE  83  -5.536  11.810  11.810
  142    H    SER  84           H        SER  84  -0.010  12.937  12.937
  143    HA   SER  84           HA       SER  84   2.295  12.082  12.082
  144   1HB   SER  84          2HB       SER  84   0.130  14.026  14.026
  145   2HB   SER  84          1HB       SER  84   1.425  13.666  13.666
  146    HG   SER  84           HG       SER  84   2.462  15.135  15.135
  147    H    VAL  85           H        VAL  85   2.525  11.523  11.523
  148    HA   VAL  85           HA       VAL  85   0.499  10.416  10.416
  149    HB   VAL  85           HB       VAL  85   0.163   8.763   8.763
  150   1HG1  VAL  85          1HG2      VAL  85   3.117   8.683   8.683
  151   2HG1  VAL  85          3HG2      VAL  85   2.278   7.157   7.157
  152   3HG1  VAL  85          2HG2      VAL  85   1.972   8.539   8.539
  153   1HG2  VAL  85          3HG1      VAL  85   0.141   8.083   8.083
  154   2HG2  VAL  85          2HG1      VAL  85   0.368   6.779   6.779
  155   3HG2  VAL  85          1HG1      VAL  85   1.751   7.405   7.405
  156    H    LYS  86           H        LYS  86   1.315   9.143   9.143
  157    HA   LYS  86           HA       LYS  86   4.161   9.695   9.695
  158   1HB   LYS  86          1HB       LYS  86   1.718   9.883   9.883
  159   2HB   LYS  86          2HB       LYS  86   3.216   9.396   9.396
  160   1HG   LYS  86          2HG       LYS  86   4.241  11.473  11.473
  161   2HG   LYS  86          1HG       LYS  86   2.575  11.977  11.977
  162   1HD   LYS  86          2HD       LYS  86   3.042  11.057  11.057
  163   2HD   LYS  86          1HD       LYS  86   4.028  12.453  12.453
  164   1HE   LYS  86          1HE       LYS  86   1.051  12.310  12.310
  165   2HE   LYS  86          2HE       LYS  86   1.792  12.990  12.990
  166   1HZ   LYS  86          2HZ       LYS  86   2.325  13.950  13.950
  167   2HZ   LYS  86          1HZ       LYS  86   1.223  14.668  14.668
  168   3HZ   LYS  86          3HZ       LYS  86   2.872  14.651  14.651
  169    H    TYR  87           H        TYR  87   4.663   7.646   7.646
  170    HA   TYR  87           HA       TYR  87   3.679   5.174   5.174
  171   1HB   TYR  87          1HB       TYR  87   4.632   5.058   5.058
  172   2HB   TYR  87          2HB       TYR  87   6.009   6.049   6.049
  173    HD1  TYR  87           HD2      TYR  87   4.557   2.655   2.655
  174    HD2  TYR  87           HD1      TYR  87   8.053   5.071   5.071
  175    HE1  TYR  87           HE2      TYR  87   5.935   0.634   0.634
  176    HE2  TYR  87           HE1      TYR  87   9.442   3.058   3.058
  177    HH   TYR  87           HH2      TYR  87   9.229   0.749   0.749
  178    H    LEU  88           H        LEU  88   3.785   4.831   4.831
  179    HA   LEU  88           HA       LEU  88   5.634   5.608   5.608
  180   1HB   LEU  88          1HB       LEU  88   4.154   2.981   2.981
  181   2HB   LEU  88          2HB       LEU  88   4.971   3.607   3.607
  182    HG   LEU  88           HG       LEU  88   2.744   5.106   5.106
  183   1HD1  LEU  88          3HD1      LEU  88   2.634   2.889   2.889
  184   2HD1  LEU  88          2HD1      LEU  88   1.443   4.188   4.188
  185   3HD1  LEU  88          1HD1      LEU  88   1.597   3.201   3.201
  186   1HD2  LEU  88          2HD2      LEU  88   4.552   5.840   5.840
  187   2HD2  LEU  88          1HD2      LEU  88   3.025   6.638   6.638
  188   3HD2  LEU  88          3HD2      LEU  88   3.095   5.417   5.417
  189    H    GLY  89           H        GLY  89   5.738   2.587   2.587
  190   1HA   GLY  89          1HA       GLY  89   8.260   2.327   2.327
  191   2HA   GLY  89          2HA       GLY  89   8.431   2.063   2.063
  192    H    CYS  90           H        CYS  90   9.308  -0.027  -0.027
  193    HA   CYS  90           HA       CYS  90   7.084  -1.933  -1.933
  194   1HB   CYS  90          1HB       CYS  90   8.604  -3.344  -3.344
  195   2HB   CYS  90          2HB       CYS  90   8.189  -1.809  -1.809
  196    HG   CYS  90           HG       CYS  90  10.614  -1.629  -1.629
  197    H    VAL  91           H        VAL  91   7.022  -3.519  -3.519
  198    HA   VAL  91           HA       VAL  91   9.394  -3.954  -3.954
  199    HB   VAL  91           HB       VAL  91   7.572  -4.801  -4.801
  200   1HG1  VAL  91          2HG1      VAL  91   8.484  -2.053  -2.053
  201   2HG1  VAL  91          1HG1      VAL  91   7.175  -2.223  -2.223
  202   3HG1  VAL  91          3HG1      VAL  91   8.718  -3.025  -3.025
  203   1HG2  VAL  91          1HG2      VAL  91   5.969  -3.005  -3.005
  204   2HG2  VAL  91          3HG2      VAL  91   5.677  -4.712  -4.712
  205   3HG2  VAL  91          2HG2      VAL  91   5.462  -3.514  -3.514
  206    H    GLU  92           H        GLU  92   9.900  -6.068  -6.068
  207    HA   GLU  92           HA       GLU  92   9.208  -8.088  -8.088
  208   1HB   GLU  92          2HB       GLU  92  10.616  -9.559  -9.559
  209   2HB   GLU  92          1HB       GLU  92  11.424  -8.083  -8.083
  210   1HG   GLU  92          1HG       GLU  92  11.338  -7.148  -7.148
  211   2HG   GLU  92          2HG       GLU  92  10.027  -8.206  -8.206
  212    H    VAL  93           H        VAL  93   7.821  -9.776  -9.776
  213    HA   VAL  93           HA       VAL  93   6.391 -10.144 -10.144
  214    HB   VAL  93           HB       VAL  93   4.285 -10.506 -10.506
  215   1HG1  VAL  93          2HG1      VAL  93   5.163  -8.256  -8.256
  216   2HG1  VAL  93          1HG1      VAL  93   5.210  -7.752  -7.752
  217   3HG1  VAL  93          3HG1      VAL  93   3.691  -8.285  -8.285
  218   1HG2  VAL  93          2HG2      VAL  93   5.716 -10.814 -10.814
  219   2HG2  VAL  93          1HG2      VAL  93   4.062 -10.200 -10.200
  220   3HG2  VAL  93          3HG2      VAL  93   5.422  -9.081  -9.081
  221    H    PHE  94           H        PHE  94   4.879 -12.210 -12.210
  222    HA   PHE  94           HA       PHE  94   6.610 -14.301 -14.301
  223   1HB   PHE  94          2HB       PHE  94   4.767 -14.503 -14.503
  224   2HB   PHE  94          1HB       PHE  94   5.748 -15.812 -15.812
  225    HD1  PHE  94           HD1      PHE  94   8.336 -15.063 -15.063
  226    HD2  PHE  94           HD2      PHE  94   5.575 -13.502 -13.502
  227    HE1  PHE  94           HE1      PHE  94  10.209 -14.387 -14.387
  228    HE2  PHE  94           HE2      PHE  94   7.443 -12.823 -12.823
  229    HZ   PHE  94           HZ       PHE  94   9.764 -13.265 -13.265
  230    H    GLU  95           H        GLU  95   4.378 -12.804 -12.804
  231    HA   GLU  95           HA       GLU  95   2.891 -15.146 -15.146
  232   1HB   GLU  95          1HB       GLU  95   1.756 -12.898 -12.898
  233   2HB   GLU  95          2HB       GLU  95   0.890 -13.280 -13.280
  234   1HG   GLU  95          1HG       GLU  95   1.006 -15.723 -15.723
  235   2HG   GLU  95          2HG       GLU  95   1.291 -14.942 -14.942
  236    H    SER  96           H        SER  96   2.209 -11.719 -11.719
  237    HA   SER  96           HA       SER  96   2.237 -10.424 -10.424
  238   1HB   SER  96          2HB       SER  96   4.480 -12.331 -12.331
  239   2HB   SER  96          1HB       SER  96   3.992 -11.051 -11.051
  240    HG   SER  96           HG       SER  96   4.567  -9.533  -9.533
  241    H    ARG  97           H        ARG  97   0.495 -12.780 -12.780
  242    HA   ARG  97           HA       ARG  97  -0.298 -12.920 -12.920
  243   1HB   ARG  97          2HB       ARG  97  -0.862 -15.451 -15.451
  244   2HB   ARG  97          1HB       ARG  97   0.674 -14.980 -14.980
  245   1HG   ARG  97          1HG       ARG  97   1.828 -15.559 -15.559
  246   2HG   ARG  97          2HG       ARG  97   0.636 -14.857 -14.857
  247   1HD   ARG  97          2HD       ARG  97  -0.370 -16.825 -16.825
  248   2HD   ARG  97          1HD       ARG  97  -0.331 -17.240 -17.240
  249    HE   ARG  97           HE       ARG  97   2.257 -17.517 -17.517
  250   1HH1  ARG  97          1HH1      ARG  97  -0.870 -18.934 -18.934
  251   2HH1  ARG  97          2HH1      ARG  97  -0.229 -20.474 -20.474
  252   1HH2  ARG  97          1HH2      ARG  97   3.112 -19.542 -19.542
  253   2HH2  ARG  97          2HH2      ARG  97   2.035 -20.821 -20.821
  254    H    GLY  98           H        GLY  98  -1.245 -11.718 -11.718
  255   1HA   GLY  98          1HA       GLY  98  -4.035 -12.484 -12.484
  256   2HA   GLY  98          2HA       GLY  98  -3.354 -12.736 -12.736
  257    H    MET  99           H        MET  99  -5.503 -11.111 -11.111
  258    HA   MET  99           HA       MET  99  -4.626  -8.358  -8.358
  259   1HB   MET  99          2HB       MET  99  -6.890  -9.210  -9.210
  260   2HB   MET  99          1HB       MET  99  -7.317  -9.359  -9.359
  261   1HG   MET  99          1HG       MET  99  -6.233  -6.746  -6.746
  262   2HG   MET  99          2HG       MET  99  -7.671  -7.141  -7.141
  263   1HE   MET  99          2HE       MET  99  -6.930  -4.936  -4.936
  264   2HE   MET  99          1HE       MET  99  -8.123  -4.814  -4.814
  265   3HE   MET  99          3HE       MET  99  -6.617  -5.694  -5.694
  266    H    GLN 100           H        GLN 100  -5.379 -10.700 -10.700
  267    HA   GLN 100           HA       GLN 100  -5.592  -8.932  -8.932
  268   1HB   GLN 100          2HB       GLN 100  -5.405 -11.795 -11.795
  269   2HB   GLN 100          1HB       GLN 100  -4.487 -11.299 -11.299
  270   1HG   GLN 100          2HG       GLN 100  -6.415 -10.320 -10.320
  271   2HG   GLN 100          1HG       GLN 100  -7.358 -10.543 -10.543
  272   1HE2  GLN 100          1HE2      GLN 100  -8.140 -13.200 -13.200
  273   2HE2  GLN 100          2HE2      GLN 100  -8.093 -11.474 -11.474
  274    H    VAL 101           H        VAL 101  -2.883  -9.870  -9.870
  275    HA   VAL 101           HA       VAL 101  -0.948  -9.378  -9.378
  276    HB   VAL 101           HB       VAL 101  -0.434  -9.819  -9.819
  277   1HG1  VAL 101          2HG1      VAL 101   1.285  -9.715  -9.715
  278   2HG1  VAL 101          1HG1      VAL 101   1.757 -10.724 -10.724
  279   3HG1  VAL 101          3HG1      VAL 101   1.542  -8.987  -8.987
  280   1HG2  VAL 101          2HG2      VAL 101  -1.634 -11.621 -11.621
  281   2HG2  VAL 101          1HG2      VAL 101  -0.681 -12.033 -12.033
  282   3HG2  VAL 101          3HG2      VAL 101   0.072 -12.038 -12.038
  283    H    CYS 102           H        CYS 102  -2.533  -7.586  -7.586
  284    HA   CYS 102           HA       CYS 102  -0.542  -5.597  -5.597
  285   1HB   CYS 102          1HB       CYS 102  -2.122  -4.435  -4.435
  286   2HB   CYS 102          2HB       CYS 102  -2.541  -6.128  -6.128
  287    HG   CYS 102           HG       CYS 102  -4.680  -4.616  -4.616
  288    H    GLU 103           H        GLU 103  -3.241  -5.944  -5.944
  289    HA   GLU 103           HA       GLU 103  -3.293  -3.342  -3.342
  290   1HB   GLU 103          2HB       GLU 103  -4.479  -5.854  -5.854
  291   2HB   GLU 103          1HB       GLU 103  -3.818  -5.183  -5.183
  292   1HG   GLU 103          1HG       GLU 103  -5.160  -3.272  -3.272
  293   2HG   GLU 103          2HG       GLU 103  -5.542  -3.552  -3.552
  294    H    GLU 104           H        GLU 104  -1.703  -6.208  -6.208
  295    HA   GLU 104           HA       GLU 104  -0.251  -4.754  -4.754
  296   1HB   GLU 104          1HB       GLU 104   1.060  -6.820  -6.820
  297   2HB   GLU 104          2HB       GLU 104  -0.665  -7.153  -7.153
  298   1HG   GLU 104          1HG       GLU 104  -0.374  -7.705  -7.705
  299   2HG   GLU 104          2HG       GLU 104   1.367  -7.622  -7.622
  300    H    ALA 105           H        ALA 105   0.411  -5.619  -5.619
  301    HA   ALA 105           HA       ALA 105   3.179  -4.986  -4.986
  302   1HB   ALA 105          1HB       ALA 105   1.125  -5.404  -5.404
  303   2HB   ALA 105          3HB       ALA 105   2.668  -4.668  -4.668
  304   3HB   ALA 105          2HB       ALA 105   2.633  -6.271  -6.271
  305    H    LEU 106           H        LEU 106   0.292  -3.095  -3.095
  306    HA   LEU 106           HA       LEU 106   1.702  -0.722  -0.722
  307   1HB   LEU 106          1HB       LEU 106  -0.690  -1.438  -1.438
  308   2HB   LEU 106          2HB       LEU 106  -1.164  -0.805  -0.805
  309    HG   LEU 106           HG       LEU 106   0.447   1.143   1.143
  310   1HD1  LEU 106          2HD2      LEU 106  -1.348  -0.372  -0.372
  311   2HD1  LEU 106          1HD2      LEU 106  -1.757   1.344   1.344
  312   3HD1  LEU 106          3HD2      LEU 106  -0.136   0.837   0.837
  313   1HD2  LEU 106          2HD1      LEU 106  -2.286   0.934   0.934
  314   2HD2  LEU 106          1HD1      LEU 106  -0.946   1.993   1.993
  315   3HD2  LEU 106          3HD1      LEU 106  -1.887   2.324   2.324
  316    H    LYS 107           H        LYS 107   0.629  -2.197  -2.197
  317    HA   LYS 107           HA       LYS 107   0.767   0.258   0.258
  318   1HB   LYS 107          2HB       LYS 107  -0.043  -0.938  -0.938
  319   2HB   LYS 107          1HB       LYS 107  -0.741  -1.828  -1.828
  320   1HG   LYS 107          1HG       LYS 107   0.020  -3.476  -3.476
  321   2HG   LYS 107          2HG       LYS 107   1.270  -3.378  -3.378
  322   1HD   LYS 107          2HD       LYS 107   2.817  -2.776  -2.776
  323   2HD   LYS 107          1HD       LYS 107   1.769  -1.569  -1.569
  324   1HE   LYS 107          2HE       LYS 107   2.303  -3.173  -3.173
  325   2HE   LYS 107          1HE       LYS 107   0.625  -3.440  -3.440
  326   1HZ   LYS 107          2HZ       LYS 107   1.405  -5.243  -5.243
  327   2HZ   LYS 107          1HZ       LYS 107   2.976  -5.026  -5.026
  328   3HZ   LYS 107          3HZ       LYS 107   1.747  -5.534  -5.534
  329    H    VAL 108           H        VAL 108   2.690  -2.604  -2.604
  330    HA   VAL 108           HA       VAL 108   4.716  -2.303  -2.303
  331    HB   VAL 108           HB       VAL 108   4.896  -3.312  -3.312
  332   1HG1  VAL 108          2HG1      VAL 108   6.884  -3.597  -3.597
  333   2HG1  VAL 108          1HG1      VAL 108   6.965  -4.443  -4.443
  334   3HG1  VAL 108          3HG1      VAL 108   7.112  -2.686  -2.686
  335   1HG2  VAL 108          2HG2      VAL 108   3.514  -4.384  -4.384
  336   2HG2  VAL 108          1HG2      VAL 108   4.190  -5.311  -5.311
  337   3HG2  VAL 108          3HG2      VAL 108   5.077  -5.182  -5.182
  338    H    LEU 109           H        LEU 109   4.644  -1.068  -1.068
  339    HA   LEU 109           HA       LEU 109   7.015   0.381   0.381
  340   1HB   LEU 109          1HB       LEU 109   4.485   0.860   0.860
  341   2HB   LEU 109          2HB       LEU 109   5.974   1.748   1.748
  342    HG   LEU 109           HG       LEU 109   6.030  -1.237  -1.237
  343   1HD1  LEU 109          2HD1      LEU 109   5.050   0.552   0.552
  344   2HD1  LEU 109          1HD1      LEU 109   5.544  -1.128  -1.128
  345   3HD1  LEU 109          3HD1      LEU 109   4.153  -0.736  -0.736
  346   1HD2  LEU 109          1HD2      LEU 109   8.094   0.084   0.084
  347   2HD2  LEU 109          3HD2      LEU 109   7.833  -0.833  -0.833
  348   3HD2  LEU 109          2HD2      LEU 109   7.509   0.899   0.899
  349    H    ARG 110           H        ARG 110   3.917   1.080   1.080
  350    HA   ARG 110           HA       ARG 110   4.469   3.886   3.886
  351   1HB   ARG 110          2HB       ARG 110   2.165   3.094   3.094
  352   2HB   ARG 110          1HB       ARG 110   2.267   2.117   2.117
  353   1HG   ARG 110          2HG       ARG 110   1.026   4.236   4.236
  354   2HG   ARG 110          1HG       ARG 110   2.416   4.073   4.073
  355   1HD   ARG 110          2HD       ARG 110   3.624   5.694   5.694
  356   2HD   ARG 110          1HD       ARG 110   2.773   5.453   5.453
  357    HE   ARG 110           HE       ARG 110   1.177   6.959   6.959
  358   1HH1  ARG 110          1HH1      ARG 110   3.195   6.093   6.093
  359   2HH1  ARG 110          2HH1      ARG 110   2.555   7.323   7.323
  360   1HH2  ARG 110          1HH2      ARG 110   0.326   8.581   8.581
  361   2HH2  ARG 110          2HH2      ARG 110   0.923   8.738   8.738
  362    H    GLN 111           H        GLN 111   4.813   0.874   0.874
  363    HA   GLN 111           HA       GLN 111   5.345   2.136   2.136
  364   1HB   GLN 111          2HB       GLN 111   5.132   0.030   0.030
  365   2HB   GLN 111          1HB       GLN 111   4.087  -0.123  -0.123
  366   1HG   GLN 111          2HG       GLN 111   5.202  -1.977  -1.977
  367   2HG   GLN 111          1HG       GLN 111   6.538  -0.938  -0.938
  368   1HE2  GLN 111          2HE2      GLN 111   8.642  -2.241  -2.241
  369   2HE2  GLN 111          1HE2      GLN 111   8.396  -1.538  -1.538
  370    H    SER 112           H        SER 112   7.102   1.370   1.370
  371    HA   SER 112           HA       SER 112   9.618   1.051   1.051
  372   1HB   SER 112          2HB       SER 112  10.539   0.111   0.111
  373   2HB   SER 112          1HB       SER 112   8.954  -0.633  -0.633
  374    HG   SER 112           HG       SER 112   8.170   1.039   1.039
  375    H    ARG 113           H        ARG 113  11.386   1.853   1.853
  376    HA   ARG 113           HA       ARG 113  11.181   4.726   4.726
  377   1HB   ARG 113          2HB       ARG 113  13.460   4.785   4.785
  378   2HB   ARG 113          1HB       ARG 113  13.316   3.496   3.496
  379   1HG   ARG 113          2HG       ARG 113  14.194   2.086   2.086
  380   2HG   ARG 113          1HG       ARG 113  12.809   2.342   2.342
  381   1HD   ARG 113          1HD       ARG 113  14.112   3.371   3.371
  382   2HD   ARG 113          2HD       ARG 113  14.549   4.574   4.574
  383    HE   ARG 113           HE       ARG 113  16.593   3.589   3.589
  384   1HH1  ARG 113          1HH1      ARG 113  14.314   1.231   1.231
  385   2HH1  ARG 113          2HH1      ARG 113  15.512   0.001   0.001
  386   1HH2  ARG 113          1HH2      ARG 113  18.178   1.978   1.978
  387   2HH2  ARG 113          2HH2      ARG 113  17.709   0.426   0.426
  388    H    ARG 114           H        ARG 114  10.602   2.294   2.294
  389    HA   ARG 114           HA       ARG 114  11.036   3.511   3.511
  390   1HB   ARG 114          2HB       ARG 114   9.058   1.545   1.545
  391   2HB   ARG 114          1HB       ARG 114   8.720   2.266   2.266
  392   1HG   ARG 114          2HG       ARG 114  11.136   0.659   0.659
  393   2HG   ARG 114          1HG       ARG 114   9.886   0.222   0.222
  394   1HD   ARG 114          2HD       ARG 114  11.235   1.061   1.061
  395   2HD   ARG 114          1HD       ARG 114  10.813   2.651   2.651
  396    HE   ARG 114           HE       ARG 114  12.889   1.765   1.765
  397   1HH1  ARG 114          1HH1      ARG 114  12.380   2.359   2.359
  398   2HH1  ARG 114          2HH1      ARG 114  14.034   2.771   2.771
  399   1HH2  ARG 114          2HH2      ARG 114  15.069   2.306   2.306
  400   2HH2  ARG 114          1HH2      ARG 114  15.563   2.741   2.741
  401    H    ARG 115           H        ARG 115  10.707   5.733   5.733
  402    HA   ARG 115           HA       ARG 115   8.112   6.809   6.809
  403   1HB   ARG 115          1HB       ARG 115   9.096   8.965   8.965
  404   2HB   ARG 115          2HB       ARG 115  10.278   7.971   7.971
  405   1HG   ARG 115          2HG       ARG 115  10.684   7.714   7.714
  406   2HG   ARG 115          1HG       ARG 115  10.604   9.425   9.425
  407   1HD   ARG 115          2HD       ARG 115  12.365   9.210   9.210
  408   2HD   ARG 115          1HD       ARG 115  12.310   7.450   7.450
  409    HE   ARG 115           HE       ARG 115  12.893   8.574   8.574
  410   1HH1  ARG 115          1HH1      ARG 115  14.305   7.850   7.850
  411   2HH1  ARG 115          2HH1      ARG 115  15.913   7.700   7.700
  412   1HH2  ARG 115          1HH2      ARG 115  15.007   8.378   8.378
  413   2HH2  ARG 115          2HH2      ARG 115  16.313   8.000   8.000
  414    HA   PRO 116           HA       PRO 116   6.386   7.011   7.011
  415   1HB   PRO 116          1HB       PRO 116   5.317   9.662   9.662
  416   2HB   PRO 116          2HB       PRO 116   4.468   8.120   8.120
  417   1HG   PRO 116          1HG       PRO 116   4.773   9.620   9.620
  418   2HG   PRO 116          2HG       PRO 116   4.582   7.859   7.859
  419   1HD   PRO 116          1HD       PRO 116   7.060   9.500   9.500
  420   2HD   PRO 116          2HD       PRO 116   6.593   7.991   7.991
  421    H    VAL 117           H        VAL 117   6.419   8.137   8.137
  422    HA   VAL 117           HA       VAL 117   8.678  10.015  10.015
  423    HB   VAL 117           HB       VAL 117   9.036   7.724   7.724
  424   1HG1  VAL 117          2HG2      VAL 117   6.556   7.966   7.966
  425   2HG1  VAL 117          1HG2      VAL 117   7.521   8.481   8.481
  426   3HG1  VAL 117          3HG2      VAL 117   7.792   6.896   6.896
  427   1HG2  VAL 117          2HG1      VAL 117   9.452  10.332  10.332
  428   2HG2  VAL 117          1HG1      VAL 117  10.608   9.058   9.058
  429   3HG2  VAL 117          3HG1      VAL 117   9.632   8.945   8.945
  430    H    ARG 118           H        ARG 118   8.107  11.999  11.999
  431    HA   ARG 118           HA       ARG 118   5.519  12.575  12.575
  432   1HB   ARG 118          2HB       ARG 118   6.877  14.041  14.041
  433   2HB   ARG 118          1HB       ARG 118   7.822  14.508  14.508
  434   1HG   ARG 118          2HG       ARG 118   5.206  14.867  14.867
  435   2HG   ARG 118          1HG       ARG 118   5.211  15.409  15.409
  436   1HD   ARG 118          2HD       ARG 118   6.714  17.102  17.102
  437   2HD   ARG 118          1HD       ARG 118   7.400  16.298  16.298
  438    HE   ARG 118           HE       ARG 118   4.808  16.898  16.898
  439   1HH1  ARG 118          1HH1      ARG 118   7.614  18.681  18.681
  440   2HH1  ARG 118          2HH1      ARG 118   7.181  20.117  20.117
  441   1HH2  ARG 118          2HH2      ARG 118   4.228  18.783  18.783
  442   2HH2  ARG 118          1HH2      ARG 118   5.256  20.175  20.175
  443    H    GLY 119           H        GLY 119   6.128  11.024  11.024
  444   1HA   GLY 119          2HA       GLY 119   7.354  12.624  12.624
  445   2HA   GLY 119          1HA       GLY 119   7.564  10.885  10.885
  446    H    LEU 120           H        LEU 120   6.770  10.795  10.795
  447    HA   LEU 120           HA       LEU 120   3.844  11.081  11.081
  448   1HB   LEU 120          2HB       LEU 120   6.020  11.820  11.820
  449   2HB   LEU 120          1HB       LEU 120   4.752  10.900  10.900
  450    HG   LEU 120           HG       LEU 120   4.503  13.558  13.558
  451   1HD1  LEU 120          3HD1      LEU 120   5.257  13.200  13.200
  452   2HD1  LEU 120          2HD1      LEU 120   3.538  12.912  12.912
  453   3HD1  LEU 120          1HD1      LEU 120   4.080  14.450  14.450
  454   1HD2  LEU 120          1HD2      LEU 120   2.546  11.471  11.471
  455   2HD2  LEU 120          3HD2      LEU 120   2.417  13.045  13.045
  456   3HD2  LEU 120          2HD2      LEU 120   2.055  12.884  12.884
  457    H    LEU 121           H        LEU 121   2.699   9.277   9.277
  458    HA   LEU 121           HA       LEU 121   4.094   6.765   6.765
  459   1HB   LEU 121          1HB       LEU 121   2.459   6.687   6.687
  460   2HB   LEU 121          2HB       LEU 121   1.256   7.470   7.470
  461    HG   LEU 121           HG       LEU 121   0.888   5.510   5.510
  462   1HD1  LEU 121          2HD1      LEU 121   3.593   4.857   4.857
  463   2HD1  LEU 121          1HD1      LEU 121   2.490   3.487   3.487
  464   3HD1  LEU 121          3HD1      LEU 121   2.681   4.320   4.320
  465   1HD2  LEU 121          2HD2      LEU 121   0.935   5.284   5.284
  466   2HD2  LEU 121          1HD2      LEU 121  -0.368   4.968   4.968
  467   3HD2  LEU 121          3HD2      LEU 121   0.869   3.744   3.744
  468    H    HIS 122           H        HIS 122   4.656   6.545   6.545
  469    HA   HIS 122           HA       HIS 122   2.965   7.386   7.386
  470   1HB   HIS 122          2HB       HIS 122   5.496   5.731   5.731
  471   2HB   HIS 122          1HB       HIS 122   4.695   6.283   6.283
  472    HD1  HIS 122           HD1      HIS 122   4.252   9.157   9.157
  473    HD2  HIS 122           HD2      HIS 122   7.567   7.320   7.320
  474    HE1  HIS 122           HE1      HIS 122   5.966  10.982  10.982
  475    H    VAL 123           H        VAL 123   1.094   6.325   6.325
  476    HA   VAL 123           HA       VAL 123   1.133   3.387   3.387
  477    HB   VAL 123           HB       VAL 123  -1.258   5.228   5.228
  478   1HG1  VAL 123          3HG1      VAL 123  -1.009   2.230   2.230
  479   2HG1  VAL 123          2HG1      VAL 123  -2.457   3.107   3.107
  480   3HG1  VAL 123          1HG1      VAL 123  -1.894   3.205   3.205
  481   1HG2  VAL 123          1HG2      VAL 123   0.523   4.593   4.593
  482   2HG2  VAL 123          3HG2      VAL 123  -1.105   5.245   5.245
  483   3HG2  VAL 123          2HG2      VAL 123  -0.840   3.503   3.503
  484    H    SER 124           H        SER 124   0.765   2.277   2.277
  485    HA   SER 124           HA       SER 124  -0.378   3.685   3.685
  486   1HB   SER 124          2HB       SER 124   1.896   2.181   2.181
  487   2HB   SER 124          1HB       SER 124   1.530   3.892   3.892
  488    HG   SER 124           HG       SER 124   3.381   2.798   2.798
  489    H    GLY 125           H        GLY 125  -1.235   1.468   1.468
  490   1HA   GLY 125          2HA       GLY 125  -2.101  -0.661  -0.661
  491   2HA   GLY 125          1HA       GLY 125  -2.482  -0.179  -0.179
  492    H    ASP 126           H        ASP 126   0.830  -0.310  -0.310
  493    HA   ASP 126           HA       ASP 126   1.306  -3.016  -3.016
  494   1HB   ASP 126          2HB       ASP 126   0.887  -1.812  -1.812
  495   2HB   ASP 126          1HB       ASP 126   2.384  -0.936  -0.936
  496    H    GLY 127           H        GLY 127   1.993  -0.882  -0.882
  497   1HA   GLY 127          2HA       GLY 127   4.293  -1.743  -1.743
  498   2HA   GLY 127          1HA       GLY 127   4.887  -0.707  -0.707
  499    H    LEU 128           H        LEU 128   4.001  -0.839  -0.839
  500    HA   LEU 128           HA       LEU 128   3.284   1.982   1.982
  501   1HB   LEU 128          1HB       LEU 128   3.701   0.162   0.162
  502   2HB   LEU 128          2HB       LEU 128   2.658   1.565   1.565
  503    HG   LEU 128           HG       LEU 128   2.060  -0.825  -0.825
  504   1HD1  LEU 128          2HD1      LEU 128   2.316  -0.992  -0.992
  505   2HD1  LEU 128          1HD1      LEU 128   0.590  -0.959  -0.959
  506   3HD1  LEU 128          3HD1      LEU 128   1.623  -2.181  -2.181
  507   1HD2  LEU 128          2HD2      LEU 128   0.881   1.488   1.488
  508   2HD2  LEU 128          1HD2      LEU 128  -0.089   0.016   0.016
  509   3HD2  LEU 128          3HD2      LEU 128   0.113   0.895   0.895
  510    H    ARG 129           H        ARG 129   5.050   3.234   3.234
  511    HA   ARG 129           HA       ARG 129   7.509   2.547   2.547
  512   1HB   ARG 129          1HB       ARG 129   7.112   4.533   4.533
  513   2HB   ARG 129          2HB       ARG 129   8.650   4.069   4.069
  514   1HG   ARG 129          2HG       ARG 129   8.300   1.766   1.766
  515   2HG   ARG 129          1HG       ARG 129   6.793   2.277   2.277
  516   1HD   ARG 129          2HD       ARG 129   7.894   3.575   3.575
  517   2HD   ARG 129          1HD       ARG 129   9.376   3.653   3.653
  518    HE   ARG 129           HE       ARG 129   9.194   1.032   1.032
  519   1HH1  ARG 129          1HH1      ARG 129   8.939   3.856   3.856
  520   2HH1  ARG 129          2HH1      ARG 129   9.555   3.059   3.059
  521   1HH2  ARG 129          1HH2      ARG 129  10.004  -0.025  -0.025
  522   2HH2  ARG 129          2HH2      ARG 129  10.161   0.853   0.853
  523    H    VAL 130           H        VAL 130   6.959   3.326   3.326
  524    HA   VAL 130           HA       VAL 130   6.114   6.077   6.077
  525    HB   VAL 130           HB       VAL 130   5.223   4.426   4.426
  526   1HG1  VAL 130          1HG2      VAL 130   7.900   3.471   3.471
  527   2HG1  VAL 130          3HG2      VAL 130   7.442   3.880   3.880
  528   3HG1  VAL 130          2HG2      VAL 130   6.464   2.745   2.745
  529   1HG2  VAL 130          3HG1      VAL 130   6.049   6.860   6.860
  530   2HG2  VAL 130          2HG1      VAL 130   5.298   5.757   5.757
  531   3HG2  VAL 130          1HG1      VAL 130   7.055   5.919   5.919
  532    H    VAL 131           H        VAL 131   7.556   7.663   7.663
  533    HA   VAL 131           HA       VAL 131  10.262   7.228   7.228
  534    HB   VAL 131           HB       VAL 131  10.400   7.331   7.331
  535   1HG1  VAL 131          2HG2      VAL 131   8.347   9.292   9.292
  536   2HG1  VAL 131          1HG2      VAL 131   9.695   9.992   9.992
  537   3HG1  VAL 131          3HG2      VAL 131   8.932   8.508   8.508
  538   1HG2  VAL 131          1HG1      VAL 131  11.713   9.123   9.123
  539   2HG2  VAL 131          3HG1      VAL 131  12.313   8.421   8.421
  540   3HG2  VAL 131          2HG1      VAL 131  11.450   9.958   9.958
  541    H    ASP 132           H        ASP 132  11.117   8.787   8.787
  542    HA   ASP 132           HA       ASP 132   9.388  10.589  10.589
  543   1HB   ASP 132          2HB       ASP 132  11.528   9.547   9.547
  544   2HB   ASP 132          1HB       ASP 132  12.402  10.767  10.767
  545    H    ASP 133           H        ASP 133   9.190  12.817  12.817
  546    HA   ASP 133           HA       ASP 133   9.964  13.994  13.994
  547   1HB   ASP 133          2HB       ASP 133   7.613  14.168  14.168
  548   2HB   ASP 133          1HB       ASP 133   8.129  15.059  15.059
  549    H    GLU 134           H        GLU 134  11.685  13.628  13.628
  550    HA   GLU 134           HA       GLU 134  12.665  16.406  16.406
  551   1HB   GLU 134          1HB       GLU 134  11.631  15.406  15.406
  552   2HB   GLU 134          2HB       GLU 134  13.108  14.456  14.456
  553   1HG   GLU 134          1HG       GLU 134  13.644  16.252  16.252
  554   2HG   GLU 134          2HG       GLU 134  14.280  16.767  16.767
  555    H    THR 135           H        THR 135  13.515  12.985  12.985
  556    HA   THR 135           HA       THR 135  16.305  13.684  13.684
  557    HB   THR 135           HB       THR 135  16.719  11.232  11.232
  558    HG1  THR 135          1HG       THR 135  14.508  10.593  10.593
  559   1HG2  THR 135          1HG2      THR 135  15.990  13.297  13.297
  560   2HG2  THR 135          3HG2      THR 135  15.897  11.649  11.649
  561   3HG2  THR 135          2HG2      THR 135  17.406  12.248  12.248
  562    H    LYS 136           H        LYS 136  13.446  12.243  12.243
  563    HA   LYS 136           HA       LYS 136  12.913  11.534  11.534
  564   1HB   LYS 136          1HB       LYS 136  15.331  13.143  13.143
  565   2HB   LYS 136          2HB       LYS 136  15.077  11.923  11.923
  566   1HG   LYS 136          1HG       LYS 136  14.039  13.891  13.891
  567   2HG   LYS 136          2HG       LYS 136  12.739  12.822  12.822
  568   1HD   LYS 136          2HD       LYS 136  12.366  14.060  14.060
  569   2HD   LYS 136          1HD       LYS 136  13.909  14.907  14.907
  570   1HE   LYS 136          2HE       LYS 136  12.041  15.245  15.245
  571   2HE   LYS 136          1HE       LYS 136  11.537  15.965  15.965
  572   1HZ   LYS 136          3HZ       LYS 136  14.162  16.671  16.671
  573   2HZ   LYS 136          2HZ       LYS 136  13.565  16.817  16.817
  574   3HZ   LYS 136          1HZ       LYS 136  12.831  17.666  17.666
  575    H    GLY 137           H        GLY 137  14.097   9.753   9.753
  576   1HA   GLY 137          1HA       GLY 137  15.674   7.949   7.949
  577   2HA   GLY 137          2HA       GLY 137  15.597   7.876   7.876
  578    H    LEU 138           H        LEU 138  14.922   6.037   6.037
  579    HA   LEU 138           HA       LEU 138  12.163   5.440   5.440
  580   1HB   LEU 138          1HB       LEU 138  13.448   4.777   4.777
  581   2HB   LEU 138          2HB       LEU 138  14.496   3.779   3.779
  582    HG   LEU 138           HG       LEU 138  12.801   2.161   2.161
  583   1HD1  LEU 138          1HD1      LEU 138  10.894   4.178   4.178
  584   2HD1  LEU 138          3HD1      LEU 138  10.484   2.494   2.494
  585   3HD1  LEU 138          2HD1      LEU 138  10.924   3.563   3.563
  586   1HD2  LEU 138          3HD2      LEU 138  13.112   3.163   3.163
  587   2HD2  LEU 138          2HD2      LEU 138  13.607   1.629   1.629
  588   3HD2  LEU 138          1HD2      LEU 138  11.915   1.904   1.904
  589    H    ILE 139           H        ILE 139  11.102   4.512   4.512
  590    HA   ILE 139           HA       ILE 139  12.568   3.141   3.141
  591    HB   ILE 139           HB       ILE 139   9.602   3.634   3.634
  592   1HG1  ILE 139          2HG1      ILE 139  11.814   5.506   5.506
  593   2HG1  ILE 139          1HG1      ILE 139  10.656   5.782   5.782
  594   1HG2  ILE 139          3HG2      ILE 139  11.524   2.585   2.585
  595   2HG2  ILE 139          2HG2      ILE 139  10.592   3.924   3.924
  596   3HG2  ILE 139          1HG2      ILE 139   9.762   2.510   2.510
  597   1HD1  ILE 139          1HD1      ILE 139   9.359   5.258   5.258
  598   2HD1  ILE 139          3HD1      ILE 139  10.437   6.653   6.653
  599   3HD1  ILE 139          2HD1      ILE 139   9.142   6.591   6.591
  600    H    VAL 140           H        VAL 140   9.605   2.487   2.487
  601    HA   VAL 140           HA       VAL 140  10.251  -0.381  -0.381
  602    HB   VAL 140           HB       VAL 140   7.481   0.774   0.774
  603   1HG1  VAL 140          1HG1      VAL 140   7.867  -1.513  -1.513
  604   2HG1  VAL 140          3HG1      VAL 140   8.365  -2.012  -2.012
  605   3HG1  VAL 140          2HG1      VAL 140   6.713  -1.461  -1.461
  606   1HG2  VAL 140          3HG2      VAL 140   8.913  -0.160  -0.160
  607   2HG2  VAL 140          2HG2      VAL 140   8.215   1.430   1.430
  608   3HG2  VAL 140          1HG2      VAL 140   7.162   0.028   0.028
  609    H    ASP 141           H        ASP 141  10.938  -1.157  -1.157
  610    HA   ASP 141           HA       ASP 141   9.845  -0.003  -0.003
  611   1HB   ASP 141          2HB       ASP 141  12.359   0.143   0.143
  612   2HB   ASP 141          1HB       ASP 141  12.399  -1.592  -1.592
  613    H    GLN 142           H        GLN 142   8.084  -1.290  -1.290
  614    HA   GLN 142           HA       GLN 142   8.672  -4.084  -4.084
  615   1HB   GLN 142          2HB       GLN 142   7.296  -3.410  -3.410
  616   2HB   GLN 142          1HB       GLN 142   5.994  -3.669  -3.669
  617   1HG   GLN 142          1HG       GLN 142   6.277  -5.752  -5.752
  618   2HG   GLN 142          2HG       GLN 142   7.193  -5.874  -5.874
  619   1HE2  GLN 142          1HE2      GLN 142   9.485  -7.354  -7.354
  620   2HE2  GLN 142          2HE2      GLN 142   8.106  -7.700  -7.700
  621    H    THR 143           H        THR 143   6.079  -4.808  -4.808
  622    HA   THR 143           HA       THR 143   5.345  -2.858  -2.858
  623    HB   THR 143           HB       THR 143   6.905  -4.654  -4.654
  624    HG1  THR 143          1HG       THR 143   4.383  -4.670  -4.670
  625   1HG2  THR 143          2HG2      THR 143   5.587  -6.464  -6.464
  626   2HG2  THR 143          1HG2      THR 143   4.542  -6.438  -6.438
  627   3HG2  THR 143          3HG2      THR 143   6.254  -6.822  -6.822
  628    H    ILE 144           H        ILE 144   4.276  -4.294  -4.294
  629    HA   ILE 144           HA       ILE 144   2.275  -4.775  -4.775
  630    HB   ILE 144           HB       ILE 144   1.716  -2.689  -2.689
  631   1HG1  ILE 144          1HG1      ILE 144  -0.387  -4.563  -4.563
  632   2HG1  ILE 144          2HG1      ILE 144   0.510  -3.345  -3.345
  633   1HG2  ILE 144          1HG2      ILE 144   0.959  -4.711  -4.711
  634   2HG2  ILE 144          3HG2      ILE 144  -0.485  -3.858  -3.858
  635   3HG2  ILE 144          2HG2      ILE 144   0.863  -2.961  -2.961
  636   1HD1  ILE 144          2HD1      ILE 144  -0.541  -1.614  -1.614
  637   2HD1  ILE 144          1HD1      ILE 144  -1.558  -2.889  -2.889
  638   3HD1  ILE 144          3HD1      ILE 144  -1.661  -2.490  -2.490
  639    H    GLU 145           H        GLU 145   3.514  -6.571  -6.571
  640    HA   GLU 145           HA       GLU 145   1.171  -8.349  -8.349
  641   1HB   GLU 145          1HB       GLU 145   1.793  -9.102  -9.102
  642   2HB   GLU 145          2HB       GLU 145   2.248  -7.411  -7.411
  643   1HG   GLU 145          1HG       GLU 145   4.158  -8.244  -8.244
  644   2HG   GLU 145          2HG       GLU 145   4.560  -8.467  -8.467
  645    H    LYS 146           H        LYS 146   4.589  -8.096  -8.096
  646    HA   LYS 146           HA       LYS 146   4.821 -10.894 -10.894
  647   1HB   LYS 146          2HB       LYS 146   6.630  -9.021  -9.021
  648   2HB   LYS 146          1HB       LYS 146   6.990  -9.100  -9.100
  649   1HG   LYS 146          2HG       LYS 146   8.371 -10.740 -10.740
  650   2HG   LYS 146          1HG       LYS 146   6.915 -11.701 -11.701
  651   1HD   LYS 146          1HD       LYS 146   6.707 -12.174 -12.174
  652   2HD   LYS 146          2HD       LYS 146   6.970 -10.492 -10.492
  653   1HE   LYS 146          1HE       LYS 146   9.241 -10.761 -10.761
  654   2HE   LYS 146          2HE       LYS 146   9.295 -12.108 -12.108
  655   1HZ   LYS 146          1HZ       LYS 146   7.803 -12.559 -12.559
  656   2HZ   LYS 146          3HZ       LYS 146   9.479 -12.414 -12.414
  657   3HZ   LYS 146          2HZ       LYS 146   8.833 -13.599 -13.599
  658    H    VAL 147           H        VAL 147   4.006  -7.896  -7.896
  659    HA   VAL 147           HA       VAL 147   4.790  -8.393  -8.393
  660    HB   VAL 147           HB       VAL 147   4.241  -6.152  -6.152
  661   1HG1  VAL 147          1HG2      VAL 147   1.421  -7.192  -7.192
  662   2HG1  VAL 147          3HG2      VAL 147   1.895  -5.501  -5.501
  663   3HG1  VAL 147          2HG2      VAL 147   2.460  -6.693  -6.693
  664   1HG2  VAL 147          1HG1      VAL 147   4.030  -6.722  -6.722
  665   2HG2  VAL 147          3HG1      VAL 147   3.020  -5.369  -5.369
  666   3HG2  VAL 147          2HG1      VAL 147   2.301  -6.960  -6.960
  667    H    SER 148           H        SER 148   3.228  -8.717  -8.717
  668    HA   SER 148           HA       SER 148   1.570 -11.011 -11.011
  669   1HB   SER 148          1HB       SER 148   3.109 -10.195 -10.195
  670   2HB   SER 148          2HB       SER 148   1.444 -10.077 -10.077
  671    HG   SER 148           HG       SER 148   1.397 -12.165 -12.165
  672    H    PHE 149           H        PHE 149   0.807  -8.054  -8.054
  673    HA   PHE 149           HA       PHE 149  -1.239  -7.106  -7.106
  674   1HB   PHE 149          1HB       PHE 149  -2.532  -9.007  -9.007
  675   2HB   PHE 149          2HB       PHE 149  -3.287  -8.111  -8.111
  676    HD1  PHE 149           HD1      PHE 149  -2.067  -8.650  -8.650
  677    HD2  PHE 149           HD2      PHE 149  -2.339 -11.257 -11.257
  678    HE1  PHE 149           HE1      PHE 149  -1.782 -10.587 -10.587
  679    HE2  PHE 149           HE2      PHE 149  -2.053 -13.199 -13.199
  680    HZ   PHE 149           HZ       PHE 149  -1.775 -12.866 -12.866
  681    H    CYS 150           H        CYS 150  -3.133  -6.125  -6.125
  682    HA   CYS 150           HA       CYS 150  -1.736  -4.930  -4.930
  683   1HB   CYS 150          2HB       CYS 150  -3.121  -2.921  -2.921
  684   2HB   CYS 150          1HB       CYS 150  -2.117  -3.319  -3.319
  685    HG   CYS 150           HG       CYS 150  -4.366  -4.368  -4.368
  686    H    ALA 151           H        ALA 151  -3.544  -3.734  -3.734
  687    HA   ALA 151           HA       ALA 151  -6.065  -4.771  -4.771
  688   1HB   ALA 151          1HB       ALA 151  -3.997  -6.605  -6.605
  689   2HB   ALA 151          3HB       ALA 151  -5.067  -6.151  -6.151
  690   3HB   ALA 151          2HB       ALA 151  -5.738  -6.851  -6.851
  691    HA   PRO 152           HA       PRO 152  -5.066  -1.178  -1.178
  692   1HB   PRO 152          1HB       PRO 152  -7.610  -0.216  -0.216
  693   2HB   PRO 152          2HB       PRO 152  -6.509   0.077   0.077
  694   1HG   PRO 152          1HG       PRO 152  -8.701  -1.946  -1.946
  695   2HG   PRO 152          2HG       PRO 152  -8.285  -0.914  -0.914
  696   1HD   PRO 152          1HD       PRO 152  -7.558  -3.512  -3.512
  697   2HD   PRO 152          2HD       PRO 152  -6.550  -2.286  -2.286
  698    H    ASP 153           H        ASP 153  -5.227  -0.833  -0.833
  699    HA   ASP 153           HA       ASP 153  -6.207  -2.904  -2.904
  700   1HB   ASP 153          2HB       ASP 153  -5.590  -0.127  -0.127
  701   2HB   ASP 153          1HB       ASP 153  -5.327  -1.666  -1.666
  702    H    ARG 154           H        ARG 154  -7.322  -1.153  -1.153
  703    HA   ARG 154           HA       ARG 154 -10.021  -0.935  -0.935
  704   1HB   ARG 154          1HB       ARG 154  -9.174  -0.905  -0.905
  705   2HB   ARG 154          2HB       ARG 154 -10.820  -0.994  -0.994
  706   1HG   ARG 154          2HG       ARG 154  -8.686  -3.091  -3.091
  707   2HG   ARG 154          1HG       ARG 154 -10.050  -3.168  -3.168
  708   1HD   ARG 154          2HD       ARG 154 -11.414  -2.740  -2.740
  709   2HD   ARG 154          1HD       ARG 154  -9.986  -3.485  -3.485
  710    HE   ARG 154           HE       ARG 154 -10.922  -5.030  -5.030
  711   1HH1  ARG 154          2HH2      ARG 154 -11.655  -4.220  -4.220
  712   2HH1  ARG 154          1HH2      ARG 154 -12.473  -5.712  -5.712
  713   1HH2  ARG 154          1HH1      ARG 154 -11.998  -6.998  -6.998
  714   2HH2  ARG 154          2HH1      ARG 154 -12.669  -7.293  -7.293
  715    H    ASN 155           H        ASN 155  -7.806   1.055   1.055
  716    HA   ASN 155           HA       ASN 155  -8.264   3.308   3.308
  717   1HB   ASN 155          1HB       ASN 155  -7.004   2.778   2.778
  718   2HB   ASN 155          2HB       ASN 155  -7.549   4.433   4.433
  719   1HD2  ASN 155          2HD2      ASN 155  -5.224   5.117   5.117
  720   2HD2  ASN 155          1HD2      ASN 155  -6.805   5.488   5.488
  721    H    HIS 156           H        HIS 156 -10.196   1.845   1.845
  722    HA   HIS 156           HA       HIS 156 -12.392   2.242   2.242
  723   1HB   HIS 156          1HB       HIS 156 -12.364   3.720   3.720
  724   2HB   HIS 156          2HB       HIS 156 -12.214   5.069   5.069
  725    HD1  HIS 156           HD1      HIS 156 -14.727   3.263   3.263
  726    HD2  HIS 156           HD2      HIS 156 -14.409   4.859   4.859
  727    HE1  HIS 156           HE1      HIS 156 -17.089   3.498   3.498
  728    H    GLU 157           H        GLU 157 -10.307   5.095   5.095
  729    HA   GLU 157           HA       GLU 157 -10.478   4.824   4.824
  730   1HB   GLU 157          2HB       GLU 157 -12.545   6.355   6.355
  731   2HB   GLU 157          1HB       GLU 157 -11.576   7.406   7.406
  732   1HG   GLU 157          1HG       GLU 157 -11.997   5.191   5.191
  733   2HG   GLU 157          2HG       GLU 157 -13.524   5.383   5.383
  734    H    ARG 158           H        ARG 158  -8.185   4.886   4.886
  735    HA   ARG 158           HA       ARG 158  -6.843   7.092   7.092
  736   1HB   ARG 158          1HB       ARG 158  -5.988   7.990   7.990
  737   2HB   ARG 158          2HB       ARG 158  -7.543   8.547   8.547
  738   1HG   ARG 158          1HG       ARG 158  -8.071   6.242   6.242
  739   2HG   ARG 158          2HG       ARG 158  -6.923   7.204   7.204
  740   1HD   ARG 158          1HD       ARG 158  -8.597   9.144   9.144
  741   2HD   ARG 158          2HD       ARG 158  -9.719   7.784   7.784
  742    HE   ARG 158           HE       ARG 158  -8.364   7.673   7.673
  743   1HH1  ARG 158          2HH2      ARG 158 -10.339  10.016  10.016
  744   2HH1  ARG 158          1HH2      ARG 158 -10.938  10.733  10.733
  745   1HH2  ARG 158          1HH1      ARG 158  -9.146   8.608   8.608
  746   2HH2  ARG 158          2HH1      ARG 158 -10.260   9.931   9.931
  747    H    GLY 159           H        GLY 159  -6.919   4.408   4.408
  748   1HA   GLY 159          1HA       GLY 159  -4.000   4.181   4.181
  749   2HA   GLY 159          2HA       GLY 159  -5.086   3.263   3.263
  750    H    PHE 160           H        PHE 160  -3.005   2.962   2.962
  751    HA   PHE 160           HA       PHE 160  -4.324   0.522   0.522
  752   1HB   PHE 160          1HB       PHE 160  -3.350   2.814   2.814
  753   2HB   PHE 160          2HB       PHE 160  -2.978   1.206   1.206
  754    HD1  PHE 160           HD1      PHE 160  -5.873   3.092   3.092
  755    HD2  PHE 160           HD2      PHE 160  -4.487   0.235   0.235
  756    HE1  PHE 160           HE1      PHE 160  -8.142   2.931   2.931
  757    HE2  PHE 160           HE2      PHE 160  -6.753   0.068   0.068
  758    HZ   PHE 160           HZ       PHE 160  -8.583   1.417   1.417
  759    H    SER 161           H        SER 161  -2.786  -1.068  -1.068
  760    HA   SER 161           HA       SER 161   0.017  -0.670  -0.670
  761   1HB   SER 161          2HB       SER 161  -0.940  -1.158  -1.158
  762   2HB   SER 161          1HB       SER 161  -1.381  -2.757  -2.757
  763    HG   SER 161           HG       SER 161   0.595  -3.343  -3.343
  764    H    TYR 162           H        TYR 162   1.268  -2.046  -2.046
  765    HA   TYR 162           HA       TYR 162  -0.117  -4.133  -4.133
  766   1HB   TYR 162          2HB       TYR 162   2.582  -2.927  -2.927
  767   2HB   TYR 162          1HB       TYR 162   1.567  -3.900  -3.900
  768    HD1  TYR 162           HD2      TYR 162  -1.057  -2.447  -2.447
  769    HD2  TYR 162           HD1      TYR 162   2.804  -1.060  -1.060
  770    HE1  TYR 162           HE2      TYR 162  -2.067  -0.401  -0.401
  771    HE2  TYR 162           HE1      TYR 162   1.805   0.989   0.989
  772    HH   TYR 162           HH2      TYR 162  -1.701   1.558   1.558
  773    H    ILE 163           H        ILE 163   1.877  -5.748  -5.748
  774    HA   ILE 163           HA       ILE 163   3.625  -6.471  -6.471
  775    HB   ILE 163           HB       ILE 163   2.509  -8.897  -8.897
  776   1HG1  ILE 163          1HG1      ILE 163   0.139  -7.019  -7.019
  777   2HG1  ILE 163          2HG1      ILE 163   0.655  -8.088  -8.088
  778   1HG2  ILE 163          1HG2      ILE 163   2.462  -6.659  -6.659
  779   2HG2  ILE 163          3HG2      ILE 163   1.043  -7.687  -7.687
  780   3HG2  ILE 163          2HG2      ILE 163   2.659  -8.380  -8.380
  781   1HD1  ILE 163          1HD1      ILE 163   0.039  -9.219  -9.219
  782   2HD1  ILE 163          3HD1      ILE 163  -1.267  -8.802  -8.802
  783   3HD1  ILE 163          2HD1      ILE 163  -0.046  -9.981  -9.981
  784    H    CYS 164           H        CYS 164   5.347  -7.620  -7.620
  785    HA   CYS 164           HA       CYS 164   5.141  -8.797  -8.797
  786   1HB   CYS 164          1HB       CYS 164   7.686  -7.525  -7.525
  787   2HB   CYS 164          2HB       CYS 164   7.183  -7.876  -7.876
  788    HG   CYS 164           HG       CYS 164   5.312  -5.834  -5.834
  789    H    ARG 165           H        ARG 165   5.074 -10.911 -10.911
  790    HA   ARG 165           HA       ARG 165   6.502 -12.108 -12.108
  791   1HB   ARG 165          1HB       ARG 165   4.834 -13.004 -13.004
  792   2HB   ARG 165          2HB       ARG 165   6.057 -14.166 -14.166
  793   1HG   ARG 165          1HG       ARG 165   5.043 -13.464 -13.464
  794   2HG   ARG 165          2HG       ARG 165   3.618 -13.284 -13.284
  795   1HD   ARG 165          2HD       ARG 165   5.242 -15.729 -15.729
  796   2HD   ARG 165          1HD       ARG 165   3.497 -15.501 -15.501
  797    HE   ARG 165           HE       ARG 165   5.035 -16.222 -16.222
  798   1HH1  ARG 165          1HH1      ARG 165   2.060 -14.837 -14.837
  799   2HH1  ARG 165          2HH1      ARG 165   1.174 -15.200 -15.200
  800   1HH2  ARG 165          1HH2      ARG 165   3.879 -16.705 -16.705
  801   2HH2  ARG 165          2HH2      ARG 165   2.208 -16.262 -16.262
  802    H    ASP 166           H        ASP 166   8.643 -11.230 -11.230
  803    HA   ASP 166           HA       ASP 166  10.822 -11.370 -11.370
  804   1HB   ASP 166          2HB       ASP 166  10.674 -13.709 -13.709
  805   2HB   ASP 166          1HB       ASP 166   9.889 -14.070 -14.070
  806    H    GLY 167           H        GLY 167   9.782 -13.296 -13.296
  807   1HA   GLY 167          1HA       GLY 167  10.045 -12.948 -12.948
  808   2HA   GLY 167          2HA       GLY 167   9.291 -11.399 -11.399
  809    H    THR 168           H        THR 168  10.581  -9.583  -9.583
  810    HA   THR 168           HA       THR 168  13.346  -9.868  -9.868
  811    HB   THR 168           HB       THR 168  11.716  -7.358  -7.358
  812    HG1  THR 168          1HG       THR 168  10.830  -8.100  -8.100
  813   1HG2  THR 168          3HG2      THR 168  14.343  -8.131  -8.131
  814   2HG2  THR 168          2HG2      THR 168  13.381  -7.860  -7.860
  815   3HG2  THR 168          1HG2      THR 168  13.522  -6.588  -6.588
  816    H    THR 169           H        THR 169  11.201  -8.294  -8.294
  817    HA   THR 169           HA       THR 169  12.990  -6.474  -6.474
  818    HB   THR 169           HB       THR 169  10.666  -7.940  -7.940
  819    HG1  THR 169          1HG       THR 169  10.911  -5.387  -5.387
  820   1HG2  THR 169          2HG2      THR 169  12.452  -6.724  -6.724
  821   2HG2  THR 169          1HG2      THR 169  11.541  -5.305  -5.305
  822   3HG2  THR 169          3HG2      THR 169  10.720  -6.628  -6.628
  823    H    ARG 170           H        ARG 170  11.913  -9.231  -9.231
  824    HA   ARG 170           HA       ARG 170  14.530 -10.349 -10.349
  825   1HB   ARG 170          2HB       ARG 170  13.387  -8.579  -8.579
  826   2HB   ARG 170          1HB       ARG 170  14.499  -9.884  -9.884
  827   1HG   ARG 170          1HG       ARG 170  16.073  -8.826  -8.826
  828   2HG   ARG 170          2HG       ARG 170  15.011  -7.418  -7.418
  829   1HD   ARG 170          2HD       ARG 170  16.906  -7.195  -7.195
  830   2HD   ARG 170          1HD       ARG 170  15.378  -7.269  -7.269
  831    HE   ARG 170           HE       ARG 170  16.540  -9.846  -9.846
  832   1HH1  ARG 170          2HH2      ARG 170  16.820  -6.834  -6.834
  833   2HH1  ARG 170          1HH2      ARG 170  17.526  -7.558  -7.558
  834   1HH2  ARG 170          2HH1      ARG 170  17.470 -10.808 -10.808
  835   2HH2  ARG 170          1HH1      ARG 170  17.896  -9.819  -9.819
  836    H    ARG 171           H        ARG 171  11.889  -9.995  -9.995
  837    HA   ARG 171           HA       ARG 171  11.111 -12.789 -12.789
  838   1HB   ARG 171          1HB       ARG 171  11.086 -13.257 -13.257
  839   2HB   ARG 171          2HB       ARG 171  12.675 -12.629 -12.629
  840   1HG   ARG 171          2HG       ARG 171  12.464 -10.924 -10.924
  841   2HG   ARG 171          1HG       ARG 171  10.863 -10.514 -10.514
  842   1HD   ARG 171          2HD       ARG 171  10.684 -11.058 -11.058
  843   2HD   ARG 171          1HD       ARG 171   9.908 -12.325 -12.325
  844    HE   ARG 171           HE       ARG 171  12.421 -13.267 -13.267
  845   1HH1  ARG 171          1HH1      ARG 171   9.974 -12.049 -12.049
  846   2HH1  ARG 171          2HH1      ARG 171  10.476 -13.035 -13.035
  847   1HH2  ARG 171          1HH2      ARG 171  13.090 -14.570 -14.570
  848   2HH2  ARG 171          2HH2      ARG 171  12.248 -14.468 -14.468
  849    H    TRP 172           H        TRP 172   9.244 -12.677 -12.677
  850    HA   TRP 172           HA       TRP 172   7.017 -11.497 -11.497
  851   1HB   TRP 172          1HB       TRP 172   7.156 -12.169 -12.169
  852   2HB   TRP 172          2HB       TRP 172   5.741 -12.168 -12.168
  853    HD1  TRP 172           HD1      TRP 172   6.461 -14.723 -14.723
  854    HE1  TRP 172           HE1      TRP 172   6.989 -16.945 -16.945
  855    HE3  TRP 172           HE3      TRP 172   7.761 -12.911 -12.911
  856    HZ2  TRP 172          2HZ       TRP 172   7.842 -17.816 -17.816
  857    HZ3  TRP 172           HZ3      TRP 172   8.418 -14.509 -14.509
  858    HH2  TRP 172           HH2      TRP 172   8.458 -16.911 -16.911
  859    H    MET 173           H        MET 173   7.881  -9.381  -9.381
  860    HA   MET 173           HA       MET 173   8.109  -7.646  -7.646
  861   1HB   MET 173          1HB       MET 173   8.853  -7.213  -7.213
  862   2HB   MET 173          2HB       MET 173   9.001  -5.982  -5.982
  863   1HG   MET 173          1HG       MET 173  10.286  -8.424  -8.424
  864   2HG   MET 173          2HG       MET 173  10.897  -7.878  -7.878
  865   1HE   MET 173          2HE       MET 173   9.391  -5.959  -5.959
  866   2HE   MET 173          1HE       MET 173  10.573  -6.824  -6.824
  867   3HE   MET 173          3HE       MET 173  10.744  -5.089  -5.089
  868    H    CYS 174           H        CYS 174   6.449  -6.444  -6.444
  869    HA   CYS 174           HA       CYS 174   4.238  -6.046  -6.046
  870   1HB   CYS 174          2HB       CYS 174   4.519  -5.522  -5.522
  871   2HB   CYS 174          1HB       CYS 174   3.085  -5.101  -5.101
  872    HG   CYS 174           HG       CYS 174   3.242  -7.608  -7.608
  873    H    HIS 175           H        HIS 175   3.260  -3.904  -3.904
  874    HA   HIS 175           HA       HIS 175   5.224  -1.738  -1.738
  875   1HB   HIS 175          2HB       HIS 175   3.509  -2.336  -2.336
  876   2HB   HIS 175          1HB       HIS 175   4.470  -0.872  -0.872
  877    HD1  HIS 175           HD1      HIS 175   6.826  -1.001  -1.001
  878    HD2  HIS 175           HD2      HIS 175   5.156  -4.750  -4.750
  879    HE1  HIS 175           HE1      HIS 175   8.509  -2.686  -2.686
  880    H    GLY 176           H        GLY 176   4.222  -0.781  -0.781
  881   1HA   GLY 176          1HA       GLY 176   1.379  -0.162  -0.162
  882   2HA   GLY 176          2HA       GLY 176   2.447   0.151   0.151
  883    H    PHE 177           H        PHE 177   0.563   1.686   1.686
  884    HA   PHE 177           HA       PHE 177   2.072   4.143   4.143
  885   1HB   PHE 177          1HB       PHE 177   2.008   4.752   4.752
  886   2HB   PHE 177          2HB       PHE 177   2.760   3.168   3.168
  887    HD1  PHE 177           HD1      PHE 177   0.636   1.279   1.279
  888    HD2  PHE 177           HD2      PHE 177   0.889   4.933   4.933
  889    HE1  PHE 177           HE1      PHE 177  -0.945   0.400   0.400
  890    HE2  PHE 177           HE2      PHE 177  -0.694   4.062   4.062
  891    HZ   PHE 177           HZ       PHE 177  -1.613   1.791   1.791
  892    H    LEU 178           H        LEU 178   0.796   6.039   6.039
  893    HA   LEU 178           HA       LEU 178  -2.105   5.561   5.561
  894   1HB   LEU 178          2HB       LEU 178  -1.439   5.812   5.812
  895   2HB   LEU 178          1HB       LEU 178  -0.521   7.256   7.256
  896    HG   LEU 178           HG       LEU 178  -3.131   7.807   7.807
  897   1HD1  LEU 178          3HD2      LEU 178  -3.676   5.763   5.763
  898   2HD1  LEU 178          2HD2      LEU 178  -3.261   6.788   6.788
  899   3HD1  LEU 178          1HD2      LEU 178  -4.581   7.247   7.247
  900   1HD2  LEU 178          3HD1      LEU 178  -1.478   8.629   8.629
  901   2HD2  LEU 178          2HD1      LEU 178  -1.776   9.514   9.514
  902   3HD2  LEU 178          1HD1      LEU 178  -3.072   9.315   9.315
  903    H    ALA 179           H        ALA 179  -3.058   6.710   6.710
  904    HA   ALA 179           HA       ALA 179  -1.974   8.385   8.385
  905   1HB   ALA 179          1HB       ALA 179  -4.315   7.521   7.521
  906   2HB   ALA 179          3HB       ALA 179  -4.741   8.845   8.845
  907   3HB   ALA 179          2HB       ALA 179  -4.143   9.192   9.192
  908    H    CYS 180           H        CYS 180  -1.702  10.578  10.578
  909    HA   CYS 180           HA       CYS 180  -0.915  12.089  12.089
  910   1HB   CYS 180          2HB       CYS 180  -0.257  12.143  12.143
  911   2HB   CYS 180          1HB       CYS 180  -1.368  13.503  13.503
  912    HG   CYS 180           HG       CYS 180   0.269  14.442  14.442
  913    H    LYS 181           H        LYS 181  -3.672  12.212  12.212
  914    HA   LYS 181           HA       LYS 181  -4.864  14.488  14.488
  915   1HB   LYS 181          1HB       LYS 181  -6.152  12.489  12.489
  916   2HB   LYS 181          2HB       LYS 181  -6.750  14.094  14.094
  917   1HG   LYS 181          1HG       LYS 181  -4.153  13.538  13.538
  918   2HG   LYS 181          2HG       LYS 181  -5.671  13.958  13.958
  919   1HD   LYS 181          1HD       LYS 181  -5.468  15.951  15.951
  920   2HD   LYS 181          2HD       LYS 181  -3.769  15.656  15.656
  921   1HE   LYS 181          2HE       LYS 181  -5.421  15.705  15.705
  922   2HE   LYS 181          1HE       LYS 181  -5.550  17.203  17.203
  923   1HZ   LYS 181          2HZ       LYS 181  -3.008  17.102  17.102
  924   2HZ   LYS 181          1HZ       LYS 181  -3.153  15.992  15.992
  925   3HZ   LYS 181          3HZ       LYS 181  -3.757  17.561  17.561
  926    H    ASP 182           H        ASP 182  -5.143  11.002  11.002
  927    HA   ASP 182           HA       ASP 182  -6.088   9.642   9.642
  928   1HB   ASP 182          1HB       ASP 182  -5.782  12.209  12.209
  929   2HB   ASP 182          2HB       ASP 182  -7.020  11.155  11.155
  930    H    SER 183           H        SER 183  -7.724   9.739   9.739
  931    HA   SER 183           HA       SER 183 -10.329   9.790   9.790
  932   1HB   SER 183          1HB       SER 183 -11.228  11.333  11.333
  933   2HB   SER 183          2HB       SER 183 -10.385  12.089  12.089
  934    HG   SER 183           HG       SER 183  -9.224  11.436  11.436
  935    H    GLY 184           H        GLY 184  -8.454   7.980   7.980
  936   1HA   GLY 184          2HA       GLY 184  -8.472   6.439   6.439
  937   2HA   GLY 184          1HA       GLY 184 -10.151   6.278   6.278
  938    H    GLU 185           H        GLU 185  -8.945   9.247   9.247
  939    HA   GLU 185           HA       GLU 185 -10.330   8.585   8.585
  940   1HB   GLU 185          1HB       GLU 185 -10.819  10.757  10.757
  941   2HB   GLU 185          2HB       GLU 185 -10.528  11.343  11.343
  942   1HG   GLU 185          2HG       GLU 185 -12.253   9.374   9.374
  943   2HG   GLU 185          1HG       GLU 185 -12.784   9.787   9.787
  944    H    ARG 186           H        ARG 186  -7.624   8.170   8.170
  945    HA   ARG 186           HA       ARG 186  -6.582   9.886   9.886
  946   1HB   ARG 186          1HB       ARG 186  -5.565  10.036  10.036
  947   2HB   ARG 186          2HB       ARG 186  -4.468  10.306  10.306
  948   1HG   ARG 186          1HG       ARG 186  -6.952  11.876  11.876
  949   2HG   ARG 186          2HG       ARG 186  -5.279  12.415  12.415
  950   1HD   ARG 186          1HD       ARG 186  -5.261  11.736  11.736
  951   2HD   ARG 186          2HD       ARG 186  -6.973  12.124  12.124
  952    HE   ARG 186           HE       ARG 186  -4.758  13.964  13.964
  953   1HH1  ARG 186          2HH1      ARG 186  -8.072  13.417  13.417
  954   2HH1  ARG 186          1HH1      ARG 186  -8.460  15.101  15.101
  955   1HH2  ARG 186          1HH2      ARG 186  -5.258  16.189  16.189
  956   2HH2  ARG 186          2HH2      ARG 186  -6.861  16.678  16.678
  957    H    LEU 187           H        LEU 187  -5.846   7.433   7.433
  958    HA   LEU 187           HA       LEU 187  -4.196   6.038   6.038
  959   1HB   LEU 187          1HB       LEU 187  -3.988   6.182   6.182
  960   2HB   LEU 187          2HB       LEU 187  -3.232   4.884   4.884
  961    HG   LEU 187           HG       LEU 187  -1.745   6.374   6.374
  962   1HD1  LEU 187          3HD1      LEU 187  -3.564   8.532   8.532
  963   2HD1  LEU 187          2HD1      LEU 187  -1.917   8.870   8.870
  964   3HD1  LEU 187          1HD1      LEU 187  -3.084   8.182   8.182
  965   1HD2  LEU 187          2HD2      LEU 187  -1.581   5.940   5.940
  966   2HD2  LEU 187          1HD2      LEU 187  -0.425   6.959   6.959
  967   3HD2  LEU 187          3HD2      LEU 187  -1.752   7.695   7.695
  968    H    SER 188           H        SER 188  -6.686   5.715   5.715
  969    HA   SER 188           HA       SER 188  -7.008   2.939   2.939
  970   1HB   SER 188          2HB       SER 188  -8.122   4.117   4.117
  971   2HB   SER 188          1HB       SER 188  -8.928   5.192   5.192
  972    HG   SER 188           HG       SER 188 -10.050   3.200   3.200
  973    H    HIS 189           H        HIS 189  -9.136   5.308   5.308
  974    HA   HIS 189           HA       HIS 189 -10.397   3.430   3.430
  975   1HB   HIS 189          1HB       HIS 189 -11.302   5.318   5.318
  976   2HB   HIS 189          2HB       HIS 189 -11.263   5.718   5.718
  977    HD1  HIS 189           HD1      HIS 189 -10.178   6.959   6.959
  978    HD2  HIS 189           HD2      HIS 189  -9.052   7.459   7.459
  979    HE1  HIS 189           HE1      HIS 189  -8.764   9.055   9.055
  980    H    ALA 190           H        ALA 190  -7.493   5.361   5.361
  981    HA   ALA 190           HA       ALA 190  -7.153   4.818   4.818
  982   1HB   ALA 190          1HB       ALA 190  -5.772   6.279   6.279
  983   2HB   ALA 190          3HB       ALA 190  -4.622   5.274   5.274
  984   3HB   ALA 190          2HB       ALA 190  -5.648   6.416   6.416
  985    H    VAL 191           H        VAL 191  -4.996   3.715   3.715
  986    HA   VAL 191           HA       VAL 191  -3.816   1.643   1.643
  987    HB   VAL 191           HB       VAL 191  -4.381   1.454   1.454
  988   1HG1  VAL 191          2HG2      VAL 191  -3.249  -0.403  -0.403
  989   2HG1  VAL 191          1HG2      VAL 191  -1.868   0.692   0.692
  990   3HG1  VAL 191          3HG2      VAL 191  -2.470   0.129   0.129
  991   1HG2  VAL 191          1HG1      VAL 191  -3.068   3.586   3.586
  992   2HG2  VAL 191          3HG1      VAL 191  -3.270   3.340   3.340
  993   3HG2  VAL 191          2HG1      VAL 191  -1.866   2.667   2.667
  994    H    GLY 192           H        GLY 192  -6.757   1.574   1.574
  995   1HA   GLY 192          1HA       GLY 192  -7.316  -1.144  -1.144
  996   2HA   GLY 192          2HA       GLY 192  -8.540   0.118   0.118
  997    H    CYS 193           H        CYS 193  -7.754   1.282   1.282
  998    HA   CYS 193           HA       CYS 193  -9.001  -0.646  -0.646
  999   1HB   CYS 193          1HB       CYS 193  -8.447   2.315   2.315
 1000   2HB   CYS 193          2HB       CYS 193  -8.955   1.386   1.386
 1001    HG   CYS 193           HG       CYS 193 -11.260   1.550   1.550
 1002    H    ALA 194           H        ALA 194  -5.967   0.894   0.894
 1003    HA   ALA 194           HA       ALA 194  -4.583   0.689   0.689
 1004   1HB   ALA 194          3HB       ALA 194  -3.586   0.163   0.163
 1005   2HB   ALA 194          2HB       ALA 194  -2.556   0.439   0.439
 1006   3HB   ALA 194          1HB       ALA 194  -3.627   1.717   1.717
 1007    H    PHE 195           H        PHE 195  -5.104  -1.844  -1.844
 1008    HA   PHE 195           HA       PHE 195  -3.575  -3.855  -3.855
 1009   1HB   PHE 195          1HB       PHE 195  -5.957  -3.854  -3.854
 1010   2HB   PHE 195          2HB       PHE 195  -5.372  -5.377  -5.377
 1011    HD1  PHE 195           HD1      PHE 195  -4.647  -2.602  -2.602
 1012    HD2  PHE 195           HD2      PHE 195  -3.233  -6.285  -6.285
 1013    HE1  PHE 195           HE1      PHE 195  -2.946  -2.713  -2.713
 1014    HE2  PHE 195           HE2      PHE 195  -1.528  -6.404  -6.404
 1015    HZ   PHE 195           HZ       PHE 195  -1.383  -4.616  -4.616
 1016    H    ALA 196           H        ALA 196  -6.599  -2.508  -2.508
 1017    HA   ALA 196           HA       ALA 196  -7.841  -4.552  -4.552
 1018   1HB   ALA 196          1HB       ALA 196  -8.673  -2.202  -2.202
 1019   2HB   ALA 196          3HB       ALA 196  -7.640  -1.744  -1.744
 1020   3HB   ALA 196          2HB       ALA 196  -8.948  -2.902  -2.902
 1021    H    VAL 197           H        VAL 197  -5.144  -2.535  -2.535
 1022    HA   VAL 197           HA       VAL 197  -5.032  -3.701  -3.701
 1023    HB   VAL 197           HB       VAL 197  -3.016  -2.026  -2.026
 1024   1HG1  VAL 197          1HG2      VAL 197  -3.017  -2.995  -2.995
 1025   2HG1  VAL 197          3HG2      VAL 197  -2.035  -1.645  -1.645
 1026   3HG1  VAL 197          2HG2      VAL 197  -1.784  -3.259  -3.259
 1027   1HG2  VAL 197          1HG1      VAL 197  -5.019  -1.353  -1.353
 1028   2HG2  VAL 197          3HG1      VAL 197  -5.057  -0.829  -0.829
 1029   3HG2  VAL 197          2HG1      VAL 197  -3.785  -0.249  -0.249
 1030    H    CYS 198           H        CYS 198  -3.484  -4.310  -4.310
 1031    HA   CYS 198           HA       CYS 198  -1.416  -5.995  -5.995
 1032   1HB   CYS 198          2HB       CYS 198  -1.680  -5.093  -5.093
 1033   2HB   CYS 198          1HB       CYS 198  -3.018  -6.208  -6.208
 1034    HG   CYS 198           HG       CYS 198  -0.196  -6.882  -6.882
 1035    H    LEU 199           H        LEU 199  -4.825  -6.494  -6.494
 1036    HA   LEU 199           HA       LEU 199  -4.452  -9.364  -9.364
 1037   1HB   LEU 199          2HB       LEU 199  -6.880  -7.923  -7.923
 1038   2HB   LEU 199          1HB       LEU 199  -6.799  -9.638  -9.638
 1039    HG   LEU 199           HG       LEU 199  -4.776  -9.534  -9.534
 1040   1HD1  LEU 199          1HD1      LEU 199  -6.397  -7.081  -7.081
 1041   2HD1  LEU 199          3HD1      LEU 199  -5.600  -7.945  -7.945
 1042   3HD1  LEU 199          2HD1      LEU 199  -4.646  -7.284  -7.284
 1043   1HD2  LEU 199          2HD2      LEU 199  -7.706  -9.827  -9.827
 1044   2HD2  LEU 199          1HD2      LEU 199  -6.411 -11.006 -11.006
 1045   3HD2  LEU 199          3HD2      LEU 199  -6.687  -9.769  -9.769
 1046    H    GLU 200           H        GLU 200  -6.353  -6.499  -6.499
 1047    HA   GLU 200           HA       GLU 200  -7.409  -5.884  -5.884
 1048   1HB   GLU 200          2HB       GLU 200  -5.284  -6.126  -6.126
 1049   2HB   GLU 200          1HB       GLU 200  -5.459  -7.876  -7.876
 1050   1HG   GLU 200          1HG       GLU 200  -7.468  -7.486  -7.486
 1051   2HG   GLU 200          2HG       GLU 200  -6.966  -5.797  -5.797
 1052    H    ARG 201           H        ARG 201  -9.476  -6.381  -6.381
 1053    HA   ARG 201           HA       ARG 201 -11.362  -7.522  -7.522
 1054   1HB   ARG 201          1HB       ARG 201  -9.728  -8.752  -8.752
 1055   2HB   ARG 201          2HB       ARG 201  -9.785 -10.046 -10.046
 1056   1HG   ARG 201          1HG       ARG 201 -12.329  -9.909  -9.909
 1057   2HG   ARG 201          2HG       ARG 201 -11.995  -8.974  -8.974
 1058   1HD   ARG 201          2HD       ARG 201 -10.416 -11.418 -11.418
 1059   2HD   ARG 201          1HD       ARG 201 -12.153 -11.713 -11.713
 1060    HE   ARG 201           HE       ARG 201 -11.405  -9.868  -9.868
 1061   1HH1  ARG 201          2HH2      ARG 201 -11.290 -13.252 -13.252
 1062   2HH1  ARG 201          1HH2      ARG 201 -11.264 -13.780 -13.780
 1063   1HH2  ARG 201          2HH1      ARG 201 -11.372 -10.553 -10.553
 1064   2HH2  ARG 201          1HH1      ARG 201 -11.311 -12.246 -12.246
 1065    H    LYS 202           H        LYS 202  -9.450  -8.042  -8.042
 1066    HA   LYS 202           HA       LYS 202  -9.796  -8.907  -8.907
 1067   1HB   LYS 202          1HB       LYS 202 -12.452  -8.465  -8.465
 1068   2HB   LYS 202          2HB       LYS 202 -12.441  -9.788  -9.788
 1069   1HG   LYS 202          2HG       LYS 202 -12.956  -7.545  -7.545
 1070   2HG   LYS 202          1HG       LYS 202 -11.607  -8.389  -8.389
 1071   1HD   LYS 202          2HD       LYS 202 -10.013  -7.036  -7.036
 1072   2HD   LYS 202          1HD       LYS 202 -11.277  -6.312  -6.312
 1073   1HE   LYS 202          2HE       LYS 202 -10.988  -6.005  -6.005
 1074   2HE   LYS 202          1HE       LYS 202 -10.557  -4.796  -4.796
 1075   1HZ   LYS 202          1HZ       LYS 202 -13.009  -5.066  -5.066
 1076   2HZ   LYS 202          3HZ       LYS 202 -13.226  -5.710  -5.710
 1077   3HZ   LYS 202          2HZ       LYS 202 -12.646  -4.132  -4.132
 1078    H    GLN 203           H        GLN 203  -8.537 -10.611 -10.611
 1079    HA   GLN 203           HA       GLN 203  -9.859 -13.150 -13.150
 1080   1HB   GLN 203          2HB       GLN 203  -7.578 -13.972 -13.972
 1081   2HB   GLN 203          1HB       GLN 203  -8.158 -12.637 -12.637
 1082   1HG   GLN 203          2HG       GLN 203  -6.567 -11.220 -11.220
 1083   2HG   GLN 203          1HG       GLN 203  -6.556 -11.898 -11.898
 1084   1HE2  GLN 203          1HE2      GLN 203  -3.631 -13.613 -13.613
 1085   2HE2  GLN 203          2HE2      GLN 203  -4.694 -12.769 -12.769
 1086    H    ARG 204           H        ARG 204 -10.379 -12.735 -12.735
 1087    HA   ARG 204           HA       ARG 204  -8.363 -13.350 -13.350
 1088   1HB   ARG 204          2HB       ARG 204 -11.337 -13.131 -13.131
 1089   2HB   ARG 204          1HB       ARG 204 -10.553 -13.956 -13.956
 1090   1HG   ARG 204          1HG       ARG 204 -10.414 -11.918 -11.918
 1091   2HG   ARG 204          2HG       ARG 204  -9.048 -11.702 -11.702
 1092   1HD   ARG 204          1HD       ARG 204 -10.764  -9.861  -9.861
 1093   2HD   ARG 204          2HD       ARG 204 -10.385 -10.573 -10.573
 1094    HE   ARG 204           HE       ARG 204 -12.537 -11.347 -11.347
 1095   1HH1  ARG 204          2HH2      ARG 204 -11.877 -10.348 -10.348
 1096   2HH1  ARG 204          1HH2      ARG 204 -13.523 -10.501 -10.501
 1097   1HH2  ARG 204          2HH1      ARG 204 -14.708 -11.553 -11.553
 1098   2HH2  ARG 204          1HH1      ARG 204 -15.135 -11.187 -11.187
 1099    H    ARG 205           H        ARG 205  -7.296 -15.224 -15.224
 1100    HA   ARG 205           HA       ARG 205  -8.511 -17.652 -17.652
 1101   1HB   ARG 205          2HB       ARG 205  -5.989 -16.824 -16.824
 1102   2HB   ARG 205          1HB       ARG 205  -5.939 -17.663 -17.663
 1103   1HG   ARG 205          1HG       ARG 205  -6.370 -19.734 -19.734
 1104   2HG   ARG 205          2HG       ARG 205  -6.995 -19.013 -19.013
 1105   1HD   ARG 205          2HD       ARG 205  -4.153 -18.570 -18.570
 1106   2HD   ARG 205          1HD       ARG 205  -4.623 -20.060 -20.060
 1107    HE   ARG 205           HE       ARG 205  -5.581 -17.794 -17.794
 1108   1HH1  ARG 205          1HH2      ARG 205  -2.683 -19.608 -19.608
 1109   2HH1  ARG 205          2HH2      ARG 205  -1.913 -19.163 -19.163
 1110   1HH2  ARG 205          1HH1      ARG 205  -4.578 -17.200 -17.200
 1111   2HH2  ARG 205          2HH1      ARG 205  -2.990 -17.793 -17.793
 1112    H    THR 206           H        THR 206 -10.239 -17.184 -17.184
 1113    HA   THR 206           HA       THR 206  -9.757 -19.150 -19.150
 1114    HB   THR 206           HB       THR 206  -8.912 -17.193 -17.193
 1115    HG1  THR 206          1HG       THR 206 -10.522 -17.034 -17.034
 1116   1HG2  THR 206          1HG2      THR 206 -11.288 -15.866 -15.866
 1117   2HG2  THR 206          3HG2      THR 206 -10.785 -15.383 -15.383
 1118   3HG2  THR 206          2HG2      THR 206  -9.657 -15.251 -15.251
 1119    H    ARG 207           H        ARG 207 -11.476 -19.090 -19.090
 1120    HA   ARG 207           HA       ARG 207 -14.038 -19.376 -19.376
 1121   1HB   ARG 207          1HB       ARG 207 -13.603 -17.087 -17.087
 1122   2HB   ARG 207          2HB       ARG 207 -14.222 -18.112 -18.112
 1123   1HG   ARG 207          1HG       ARG 207 -16.213 -18.585 -18.585
 1124   2HG   ARG 207          2HG       ARG 207 -15.599 -17.472 -17.472
 1125   1HD   ARG 207          1HD       ARG 207 -15.835 -15.613 -15.613
 1126   2HD   ARG 207          2HD       ARG 207 -16.018 -16.625 -16.625
 1127    HE   ARG 207           HE       ARG 207 -18.250 -16.778 -16.778
 1128   1HH1  ARG 207          1HH2      ARG 207 -16.593 -15.734 -15.734
 1129   2HH1  ARG 207          2HH2      ARG 207 -18.050 -15.444 -15.444
 1130   1HH2  ARG 207          2HH1      ARG 207 -20.176 -16.399 -16.399
 1131   2HH2  ARG 207          1HH1      ARG 207 -20.088 -15.822 -15.822
 1132    H    ALA 208           H        ALA 208 -12.434 -19.616 -19.616
 1133    HA   ALA 208           HA       ALA 208 -13.974 -22.048 -22.048
 1134   1HB   ALA 208          2HB       ALA 208 -13.696 -20.033 -20.033
 1135   2HB   ALA 208          1HB       ALA 208 -12.140 -20.781 -20.781
 1136   3HB   ALA 208          3HB       ALA 208 -13.633 -21.682 -21.682
 1137    H    ALA 209           H        ALA 209 -12.853 -23.497 -23.497
 1138    HA   ALA 209           HA       ALA 209 -10.045 -24.000 -24.000
 1139   1HB   ALA 209          3HB       ALA 209 -11.249 -23.742 -23.742
 1140   2HB   ALA 209          2HB       ALA 209 -10.893 -25.459 -25.459
 1141   3HB   ALA 209          1HB       ALA 209  -9.603 -24.268 -24.268
 1142    H    ALA 210           H        ALA 210  -9.378 -26.321 -26.321
 1143    HA   ALA 210           HA       ALA 210 -11.324 -27.916 -27.916
 1144   1HB   ALA 210          2HB       ALA 210  -9.009 -27.603 -27.603
 1145   2HB   ALA 210          1HB       ALA 210  -8.422 -28.532 -28.532
 1146   3HB   ALA 210          3HB       ALA 210  -9.480 -29.292 -29.292
 1147   1H    ALA   1          3HT       ALA   1 -13.331  -8.656  -8.656
 1148   2H    ALA   1          2HT       ALA   1 -11.915  -8.568  -8.568
 1149   3H    ALA   1          1HT       ALA   1 -13.458  -8.357  -8.357
 1150    HA   ALA   1           HA       ALA   1 -13.734  -6.304  -6.304
 1151   1HB   ALA   1          3HB       ALA   1 -11.691  -6.573  -6.573
 1152   2HB   ALA   1          2HB       ALA   1 -10.736  -6.335  -6.335
 1153   3HB   ALA   1          1HB       ALA   1 -11.838  -5.072  -5.072
 1154    H    TYR   2           H        TYR   2 -10.718  -7.172  -7.172
 1155    HA   TYR   2           HA       TYR   2 -11.679  -7.206  -7.206
 1156   1HB   TYR   2          1HB       TYR   2 -10.969  -4.916  -4.916
 1157   2HB   TYR   2          2HB       TYR   2 -12.437  -4.962  -4.962
 1158    HD1  TYR   2           HD1      TYR   2  -9.608  -5.414  -5.414
 1159    HD2  TYR   2           HD2      TYR   2 -11.825  -2.434  -2.434
 1160    HE1  TYR   2           HE1      TYR   2  -8.686  -3.683  -3.683
 1161    HE2  TYR   2           HE2      TYR   2 -10.905  -0.705  -0.705
 1162    HH   TYR   2           HH2      TYR   2  -8.392  -1.430  -1.430
 1163    H    ILE   3           H        ILE   3 -10.056  -8.781  -8.781
 1164    HA   ILE   3           HA       ILE   3  -7.947  -9.658  -9.658
 1165    HB   ILE   3           HB       ILE   3  -7.431  -7.153  -7.153
 1166   1HG1  ILE   3          1HG1      ILE   3  -8.154  -8.853  -8.853
 1167   2HG1  ILE   3          2HG1      ILE   3  -9.063  -9.595  -9.595
 1168   1HG2  ILE   3          2HG2      ILE   3  -5.724  -9.153  -9.153
 1169   2HG2  ILE   3          1HG2      ILE   3  -6.368  -9.748  -9.748
 1170   3HG2  ILE   3          3HG2      ILE   3  -5.588  -8.168  -8.168
 1171   1HD1  ILE   3          1HD1      ILE   3  -9.312  -6.671  -6.671
 1172   2HD1  ILE   3          3HD1      ILE   3 -10.205  -7.843  -7.843
 1173   3HD1  ILE   3          2HD1      ILE   3 -10.451  -7.771  -7.771
 1174    H    GLY   4           H        GLY   4  -8.108  -8.467  -8.467
 1175   1HA   GLY   4          2HA       GLY   4  -6.232  -8.285  -8.285
 1176   2HA   GLY   4          1HA       GLY   4  -5.443  -7.271  -7.271
 1177    HA   PRO   5           HA       PRO   5  -7.228  -8.348  -8.348
 1178   1HB   PRO   5          2HB       PRO   5  -9.970  -7.521  -7.521
 1179   2HB   PRO   5          1HB       PRO   5  -8.634  -8.085  -8.085
 1180   1HG   PRO   5          1HG       PRO   5  -9.275  -5.530  -5.530
 1181   2HG   PRO   5          2HG       PRO   5  -7.566  -6.005  -6.005
 1182   1HD   PRO   5          2HD       PRO   5  -9.382  -5.146  -5.146
 1183   2HD   PRO   5          1HD       PRO   5  -7.748  -4.570  -4.570
 1184   1HN   PTR   6           H        PTR   6  -7.476 -10.003 -10.003
 1185    HA   PTR   6           HA       PTR   6  -9.861 -11.302 -11.302
 1186   1HB   PTR   6          1HB       PTR   6  -9.293 -10.300 -10.300
 1187   2HB   PTR   6          2HB       PTR   6  -9.934  -9.082  -9.082
 1188    HD1  PTR   6           HD1      PTR   6 -10.981 -11.048 -11.048
 1189    HD2  PTR   6           HD2      PTR   6 -11.855 -10.454 -10.454
 1190    HE1  PTR   6           HE1      PTR   6 -12.832 -12.671 -12.671
 1191    HE2  PTR   6           HE2      PTR   6 -14.016 -11.594 -11.594
 1192    H    LEU   7           H        LEU   7  -9.538 -12.477 -12.477
 1193    HA   LEU   7           HA       LEU   7  -8.404 -14.157 -14.157
 1194   1HB   LEU   7          2HB       LEU   7  -6.255 -12.207 -12.207
 1195   2HB   LEU   7          1HB       LEU   7  -5.785 -13.788 -13.788
 1196    HG   LEU   7           HG       LEU   7  -7.451 -11.723 -11.723
 1197   1HD1  LEU   7          3HD1      LEU   7  -4.696 -12.850 -12.850
 1198   2HD1  LEU   7          2HD1      LEU   7  -5.571 -12.065 -12.065
 1199   3HD1  LEU   7          1HD1      LEU   7  -5.189 -11.164 -11.164
 1200   1HD2  LEU   7          3HD2      LEU   7  -7.206 -14.631 -14.631
 1201   2HD2  LEU   7          2HD2      LEU   7  -8.493 -13.521 -13.521
 1202   3HD2  LEU   7          1HD2      LEU   7  -7.027 -13.634 -13.634

  Start of MODEL   13
    1    HA   SER  64           HA       SER  64 -18.712  11.955  11.955
    2   1HB   SER  64          1HB       SER  64 -18.199  11.693  11.693
    3   2HB   SER  64          2HB       SER  64 -17.727  13.182  13.182
    4    HG   SER  64           HG       SER  64 -20.265  12.132  12.132
    5    H    LYS  65           H        LYS  65 -17.106  11.780  11.780
    6    HA   LYS  65           HA       LYS  65 -14.359  11.521  11.521
    7   1HB   LYS  65          2HB       LYS  65 -13.963  11.236  11.236
    8   2HB   LYS  65          1HB       LYS  65 -14.627   9.903   9.903
    9   1HG   LYS  65          2HG       LYS  65 -16.854  10.426  10.426
   10   2HG   LYS  65          1HG       LYS  65 -16.264  11.858  11.858
   11   1HD   LYS  65          1HD       LYS  65 -16.015  10.573  10.573
   12   2HD   LYS  65          2HD       LYS  65 -14.689   9.774   9.774
   13   1HE   LYS  65          1HE       LYS  65 -15.995   7.964   7.964
   14   2HE   LYS  65          2HE       LYS  65 -16.644   8.390   8.390
   15   1HZ   LYS  65          2HZ       LYS  65 -18.389   9.669   9.669
   16   2HZ   LYS  65          1HZ       LYS  65 -17.807   9.079   9.079
   17   3HZ   LYS  65          3HZ       LYS  65 -18.446   8.011   8.011
   18    HA   PRO  66           HA       PRO  66 -14.619  16.005  16.005
   19   1HB   PRO  66          1HB       PRO  66 -12.965  16.832  16.832
   20   2HB   PRO  66          2HB       PRO  66 -14.687  16.535  16.535
   21   1HG   PRO  66          1HG       PRO  66 -12.345  14.763  14.763
   22   2HG   PRO  66          2HG       PRO  66 -13.764  15.116  15.116
   23   1HD   PRO  66          1HD       PRO  66 -13.543  12.846  12.846
   24   2HD   PRO  66          2HD       PRO  66 -15.104  13.637  13.637
   25    H    HIS  67           H        HIS  67 -13.375  15.011  15.011
   26    HA   HIS  67           HA       HIS  67 -11.610  15.139  15.139
   27   1HB   HIS  67          1HB       HIS  67 -10.527  17.063  17.063
   28   2HB   HIS  67          2HB       HIS  67  -9.853  16.825  16.825
   29    HD1  HIS  67           HD1      HIS  67 -11.519  17.522  17.522
   30    HD2  HIS  67           HD2      HIS  67 -12.509  18.893  18.893
   31    HE1  HIS  67           HE1      HIS  67 -13.166  19.411  19.411
   32    H    GLN  68           H        GLN  68  -9.895  15.495  15.495
   33    HA   GLN  68           HA       GLN  68  -7.729  13.919  13.919
   34   1HB   GLN  68          2HB       GLN  68  -9.195  14.571  14.571
   35   2HB   GLN  68          1HB       GLN  68  -7.933  13.350  13.350
   36   1HG   GLN  68          2HG       GLN  68  -6.406  14.937  14.937
   37   2HG   GLN  68          1HG       GLN  68  -6.904  15.561  15.561
   38   1HE2  GLN  68          2HE2      GLN  68  -8.832  17.191  17.191
   39   2HE2  GLN  68          1HE2      GLN  68  -8.624  15.481  15.481
   40    H    TRP  69           H        TRP  69 -10.914  12.867  12.867
   41    HA   TRP  69           HA       TRP  69 -10.133  10.089  10.089
   42   1HB   TRP  69          1HB       TRP  69 -12.366  11.701  11.701
   43   2HB   TRP  69          2HB       TRP  69 -12.952  10.294  10.294
   44    HD1  TRP  69           HD1      TRP  69  -9.799  10.107  10.107
   45    HE1  TRP  69           HE1      TRP  69 -10.258   8.527   8.527
   46    HE3  TRP  69           HE3      TRP  69 -14.803   9.345   9.345
   47    HZ2  TRP  69          2HZ       TRP  69 -12.451   7.142   7.142
   48    HZ3  TRP  69           HZ3      TRP  69 -16.009   7.880   7.880
   49    HH2  TRP  69           HH2      TRP  69 -14.854   6.801   6.801
   50    H    GLN  70           H        GLN  70 -11.656  12.255  12.255
   51    HA   GLN  70           HA       GLN  70 -12.716  10.313  10.313
   52   1HB   GLN  70          1HB       GLN  70 -13.517  12.564  12.564
   53   2HB   GLN  70          2HB       GLN  70 -11.892  13.193  13.193
   54   1HG   GLN  70          2HG       GLN  70 -11.763  12.415  12.415
   55   2HG   GLN  70          1HG       GLN  70 -13.119  11.310  11.310
   56   1HE2  GLN  70          2HE2      GLN  70 -15.545  13.995  13.995
   57   2HE2  GLN  70          1HE2      GLN  70 -15.148  12.640  12.640
   58    H    ALA  71           H        ALA  71  -9.557  11.658  11.658
   59    HA   ALA  71           HA       ALA  71  -8.480  10.625  10.625
   60   1HB   ALA  71          3HB       ALA  71  -7.766  12.742  12.742
   61   2HB   ALA  71          2HB       ALA  71  -6.703  11.554  11.554
   62   3HB   ALA  71          1HB       ALA  71  -6.609  11.844  11.844
   63    H    ASP  72           H        ASP  72  -8.469   9.830   9.830
   64    HA   ASP  72           HA       ASP  72  -6.509   7.856   7.856
   65   1HB   ASP  72          1HB       ASP  72  -7.282   8.583   8.583
   66   2HB   ASP  72          2HB       ASP  72  -8.970   8.357   8.357
   67    H    GLU  73           H        GLU  73 -10.014   7.514   7.514
   68    HA   GLU  73           HA       GLU  73 -10.218   4.800   4.800
   69   1HB   GLU  73          2HB       GLU  73 -11.951   6.799   6.799
   70   2HB   GLU  73          1HB       GLU  73 -11.664   6.420   6.420
   71   1HG   GLU  73          2HG       GLU  73 -13.002   4.665   4.665
   72   2HG   GLU  73          1HG       GLU  73 -12.112   4.008   4.008
   73    H    GLU  74           H        GLU  74  -9.626   7.007   7.007
   74    HA   GLU  74           HA       GLU  74  -8.986   4.822   4.822
   75   1HB   GLU  74          2HB       GLU  74  -9.767   7.462   7.462
   76   2HB   GLU  74          1HB       GLU  74  -8.097   7.449   7.449
   77   1HG   GLU  74          2HG       GLU  74  -8.826   6.685   6.685
   78   2HG   GLU  74          1HG       GLU  74  -9.248   5.179   5.179
   79    H    ALA  75           H        ALA  75  -7.198   7.020   7.020
   80    HA   ALA  75           HA       ALA  75  -4.676   6.961   6.961
   81   1HB   ALA  75          1HB       ALA  75  -5.625   7.088   7.088
   82   2HB   ALA  75          3HB       ALA  75  -3.904   7.066   7.066
   83   3HB   ALA  75          2HB       ALA  75  -4.925   8.362   8.362
   84    H    VAL  76           H        VAL  76  -5.627   4.839   4.839
   85    HA   VAL  76           HA       VAL  76  -3.512   3.107   3.107
   86    HB   VAL  76           HB       VAL  76  -5.175   1.405   1.405
   87   1HG1  VAL  76          1HG2      VAL  76  -3.724   3.149   3.149
   88   2HG1  VAL  76          3HG2      VAL  76  -5.258   3.980   3.980
   89   3HG1  VAL  76          2HG2      VAL  76  -5.026   2.338   2.338
   90   1HG2  VAL  76          3HG1      VAL  76  -7.039   3.038   3.038
   91   2HG2  VAL  76          2HG1      VAL  76  -7.368   1.832   1.832
   92   3HG2  VAL  76          1HG1      VAL  76  -7.110   3.517   3.517
   93    H    ARG  77           H        ARG  77  -6.248   3.295   3.295
   94    HA   ARG  77           HA       ARG  77  -6.164   0.732   0.732
   95   1HB   ARG  77          1HB       ARG  77  -7.755   2.884   2.884
   96   2HB   ARG  77          2HB       ARG  77  -6.750   3.027   3.027
   97   1HG   ARG  77          1HG       ARG  77  -7.685   0.317   0.317
   98   2HG   ARG  77          2HG       ARG  77  -9.018   1.470   1.470
   99   1HD   ARG  77          1HD       ARG  77  -8.793   1.474   1.474
  100   2HD   ARG  77          2HD       ARG  77  -7.210   2.223   2.223
  101    HE   ARG  77           HE       ARG  77  -7.159  -0.631  -0.631
  102   1HH1  ARG  77          2HH1      ARG  77  -7.066   2.016   2.016
  103   2HH1  ARG  77          1HH1      ARG  77  -6.230   1.115   1.115
  104   1HH2  ARG  77          2HH2      ARG  77  -6.057  -1.828  -1.828
  105   2HH2  ARG  77          1HH2      ARG  77  -5.656  -1.071  -1.071
  106    H    SER  78           H        SER  78  -4.629   3.767   3.767
  107    HA   SER  78           HA       SER  78  -2.931   2.266   2.266
  108   1HB   SER  78          2HB       SER  78  -3.035   5.264   5.264
  109   2HB   SER  78          1HB       SER  78  -2.365   4.374   4.374
  110    HG   SER  78           HG       SER  78  -4.758   5.316   5.316
  111    H    ALA  79           H        ALA  79  -2.720   2.506   2.506
  112    HA   ALA  79           HA       ALA  79  -1.051   2.505   2.505
  113   1HB   ALA  79          2HB       ALA  79   0.622   2.271   2.271
  114   2HB   ALA  79          1HB       ALA  79   1.283   2.172   2.172
  115   3HB   ALA  79          3HB       ALA  79   0.106   0.978   0.978
  116    H    THR  80           H        THR  80  -1.625   4.650   4.650
  117    HA   THR  80           HA       THR  80   0.483   6.434   6.434
  118    HB   THR  80           HB       THR  80   0.355   6.953   6.953
  119    HG1  THR  80          1HG       THR  80   0.209   9.037   9.037
  120   1HG2  THR  80          2HG2      THR  80  -2.585   6.838   6.838
  121   2HG2  THR  80          1HG2      THR  80  -1.924   7.914   7.914
  122   3HG2  THR  80          3HG2      THR  80  -1.581   6.185   6.185
  123    H    CYS  81           H        CYS  81  -1.148   5.606   5.606
  124    HA   CYS  81           HA       CYS  81  -2.860   7.938   7.938
  125   1HB   CYS  81          1HB       CYS  81  -4.331   6.072   6.072
  126   2HB   CYS  81          2HB       CYS  81  -3.319   5.034   5.034
  127    HG   CYS  81           HG       CYS  81  -5.435   6.983   6.983
  128    H    SER  82           H        SER  82  -0.729   8.733   8.733
  129    HA   SER  82           HA       SER  82   0.081   7.556   7.556
  130   1HB   SER  82          2HB       SER  82   1.873   9.369   9.369
  131   2HB   SER  82          1HB       SER  82   1.927   8.133   8.133
  132    HG   SER  82           HG       SER  82   2.152  10.229  10.229
  133    H    PHE  83           H        PHE  83   0.115   8.689   8.689
  134    HA   PHE  83           HA       PHE  83  -1.143  11.299  11.299
  135   1HB   PHE  83          1HB       PHE  83  -2.430   8.780   8.780
  136   2HB   PHE  83          2HB       PHE  83  -2.682  10.280  10.280
  137    HD1  PHE  83           HD1      PHE  83  -3.768  12.206  12.206
  138    HD2  PHE  83           HD2      PHE  83  -3.533   8.359   8.359
  139    HE1  PHE  83           HE1      PHE  83  -5.552  12.839  12.839
  140    HE2  PHE  83           HE2      PHE  83  -5.317   8.984   8.984
  141    HZ   PHE  83           HZ       PHE  83  -6.329  11.226  11.226
  142    H    SER  84           H        SER  84  -0.518  12.450  12.450
  143    HA   SER  84           HA       SER  84   1.807  11.782  11.782
  144   1HB   SER  84          2HB       SER  84   0.620  13.527  13.527
  145   2HB   SER  84          1HB       SER  84   1.490  14.008  14.008
  146    HG   SER  84           HG       SER  84  -0.447  14.975  14.975
  147    H    VAL  85           H        VAL  85   2.293  10.816  10.816
  148    HA   VAL  85           HA       VAL  85   0.163   9.996   9.996
  149    HB   VAL  85           HB       VAL  85   0.221   8.168   8.168
  150   1HG1  VAL  85          3HG2      VAL  85   2.571   8.420   8.420
  151   2HG1  VAL  85          2HG2      VAL  85   3.079   7.782   7.782
  152   3HG1  VAL  85          1HG2      VAL  85   2.181   6.758   6.758
  153   1HG2  VAL  85          2HG1      VAL  85  -0.214   7.816   7.816
  154   2HG2  VAL  85          1HG1      VAL  85   0.280   6.389   6.389
  155   3HG2  VAL  85          3HG1      VAL  85   1.445   7.226   7.226
  156    H    LYS  86           H        LYS  86   0.966   9.050   9.050
  157    HA   LYS  86           HA       LYS  86   3.718   9.915   9.915
  158   1HB   LYS  86          2HB       LYS  86   1.205   9.987   9.987
  159   2HB   LYS  86          1HB       LYS  86   2.788  10.009  10.009
  160   1HG   LYS  86          1HG       LYS  86   3.362  12.059  12.059
  161   2HG   LYS  86          2HG       LYS  86   1.898  12.000  12.000
  162   1HD   LYS  86          1HD       LYS  86   1.355  13.511  13.511
  163   2HD   LYS  86          2HD       LYS  86   0.643  11.995  11.995
  164   1HE   LYS  86          2HE       LYS  86   1.807  13.168  13.168
  165   2HE   LYS  86          1HE       LYS  86   2.554  11.610  11.610
  166   1HZ   LYS  86          3HZ       LYS  86   3.620  13.947  13.947
  167   2HZ   LYS  86          2HZ       LYS  86   3.960  13.812  13.812
  168   3HZ   LYS  86          1HZ       LYS  86   4.422  12.580  12.580
  169    H    TYR  87           H        TYR  87   3.899   7.574   7.574
  170    HA   TYR  87           HA       TYR  87   3.186   5.282   5.282
  171   1HB   TYR  87          1HB       TYR  87   4.392   5.292   5.292
  172   2HB   TYR  87          2HB       TYR  87   5.846   5.866   5.866
  173    HD1  TYR  87           HD1      TYR  87   3.424   3.160   3.160
  174    HD2  TYR  87           HD2      TYR  87   7.435   4.192   4.192
  175    HE1  TYR  87           HE1      TYR  87   4.113   0.835   0.835
  176    HE2  TYR  87           HE2      TYR  87   8.135   1.869   1.869
  177    HH   TYR  87           HH2      TYR  87   7.492  -0.115  -0.115
  178    H    LEU  88           H        LEU  88   3.429   4.608   4.608
  179    HA   LEU  88           HA       LEU  88   4.931   5.884   5.884
  180   1HB   LEU  88          2HB       LEU  88   3.615   3.217   3.217
  181   2HB   LEU  88          1HB       LEU  88   4.686   3.517   3.517
  182    HG   LEU  88           HG       LEU  88   3.313   5.403   5.403
  183   1HD1  LEU  88          2HD2      LEU  88   2.583   6.099   6.099
  184   2HD1  LEU  88          1HD2      LEU  88   1.504   4.705   4.705
  185   3HD1  LEU  88          3HD2      LEU  88   1.248   5.972   5.972
  186   1HD2  LEU  88          1HD1      LEU  88   2.159   2.698   2.698
  187   2HD2  LEU  88          3HD1      LEU  88   2.510   3.601   3.601
  188   3HD2  LEU  88          2HD1      LEU  88   1.069   3.980   3.980
  189    H    GLY  89           H        GLY  89   5.704   2.940   2.940
  190   1HA   GLY  89          1HA       GLY  89   8.289   3.179   3.179
  191   2HA   GLY  89          2HA       GLY  89   8.360   2.866   2.866
  192    H    CYS  90           H        CYS  90   9.698   1.061   1.061
  193    HA   CYS  90           HA       CYS  90   7.933  -1.176  -1.176
  194   1HB   CYS  90          2HB       CYS  90  10.920  -1.259  -1.259
  195   2HB   CYS  90          1HB       CYS  90   9.697  -2.126  -2.126
  196    HG   CYS  90           HG       CYS  90  10.610   0.775   0.775
  197    H    VAL  91           H        VAL  91   7.702  -2.888  -2.888
  198    HA   VAL  91           HA       VAL  91   9.549  -3.217  -3.217
  199    HB   VAL  91           HB       VAL  91   7.594  -4.267  -4.267
  200   1HG1  VAL  91          1HG1      VAL  91   8.487  -1.697  -1.697
  201   2HG1  VAL  91          3HG1      VAL  91   6.765  -1.484  -1.484
  202   3HG1  VAL  91          2HG1      VAL  91   7.299  -2.326  -2.326
  203   1HG2  VAL  91          2HG2      VAL  91   6.151  -3.051  -3.051
  204   2HG2  VAL  91          1HG2      VAL  91   6.039  -4.693  -4.693
  205   3HG2  VAL  91          3HG2      VAL  91   5.353  -3.348  -3.348
  206    H    GLU  92           H        GLU  92   9.269  -5.576  -5.576
  207    HA   GLU  92           HA       GLU  92   9.450  -7.344  -7.344
  208   1HB   GLU  92          2HB       GLU  92  10.598  -8.852  -8.852
  209   2HB   GLU  92          1HB       GLU  92  11.483  -7.556  -7.556
  210   1HG   GLU  92          1HG       GLU  92  11.183  -6.111  -6.111
  211   2HG   GLU  92          2HG       GLU  92  10.114  -7.278  -7.278
  212    H    VAL  93           H        VAL  93   8.641  -9.487  -9.487
  213    HA   VAL  93           HA       VAL  93   6.854 -10.263 -10.263
  214    HB   VAL  93           HB       VAL  93   4.893 -10.560 -10.560
  215   1HG1  VAL  93          1HG1      VAL  93   5.379  -8.587  -8.587
  216   2HG1  VAL  93          3HG1      VAL  93   5.531  -7.650  -7.650
  217   3HG1  VAL  93          2HG1      VAL  93   4.023  -8.488  -8.488
  218   1HG2  VAL  93          1HG2      VAL  93   6.315 -10.296 -10.296
  219   2HG2  VAL  93          3HG2      VAL  93   4.758  -9.471  -9.471
  220   3HG2  VAL  93          2HG2      VAL  93   6.239  -8.560  -8.560
  221    H    PHE  94           H        PHE  94   5.520 -12.317 -12.317
  222    HA   PHE  94           HA       PHE  94   7.394 -13.881 -13.881
  223   1HB   PHE  94          2HB       PHE  94   6.310 -14.740 -14.740
  224   2HB   PHE  94          1HB       PHE  94   7.136 -15.813 -15.813
  225    HD1  PHE  94           HD2      PHE  94   9.530 -15.434 -15.434
  226    HD2  PHE  94           HD1      PHE  94   7.512 -13.257 -13.257
  227    HE1  PHE  94           HE2      PHE  94  11.698 -14.780 -14.780
  228    HE2  PHE  94           HE1      PHE  94   9.676 -12.598 -12.598
  229    HZ   PHE  94           HZ       PHE  94  11.772 -13.360 -13.360
  230    H    GLU  95           H        GLU  95   4.593 -12.669 -12.669
  231    HA   GLU  95           HA       GLU  95   3.206 -15.166 -15.166
  232   1HB   GLU  95          1HB       GLU  95   1.691 -12.617 -12.617
  233   2HB   GLU  95          2HB       GLU  95   1.166 -14.274 -14.274
  234   1HG   GLU  95          2HG       GLU  95   2.981 -12.676 -12.676
  235   2HG   GLU  95          1HG       GLU  95   1.285 -13.051 -13.051
  236    H    SER  96           H        SER  96   2.943 -11.722 -11.722
  237    HA   SER  96           HA       SER  96   2.584 -10.709 -10.709
  238   1HB   SER  96          1HB       SER  96   4.191 -11.148 -11.148
  239   2HB   SER  96          2HB       SER  96   5.016 -11.457 -11.457
  240    HG   SER  96           HG       SER  96   5.217 -13.083 -13.083
  241    H    ARG  97           H        ARG  97   0.879 -13.041 -13.041
  242    HA   ARG  97           HA       ARG  97  -0.366 -13.385 -13.385
  243   1HB   ARG  97          2HB       ARG  97   0.527 -15.710 -15.710
  244   2HB   ARG  97          1HB       ARG  97  -0.622 -15.856 -15.856
  245   1HG   ARG  97          1HG       ARG  97   1.377 -14.639 -14.639
  246   2HG   ARG  97          2HG       ARG  97   2.304 -15.491 -15.491
  247   1HD   ARG  97          1HD       ARG  97   0.315 -16.739 -16.739
  248   2HD   ARG  97          2HD       ARG  97   2.069 -16.834 -16.834
  249    HE   ARG  97           HE       ARG  97   1.238 -17.795 -17.795
  250   1HH1  ARG  97          1HH1      ARG  97   1.273 -18.655 -18.655
  251   2HH1  ARG  97          2HH1      ARG  97   1.286 -20.361 -20.361
  252   1HH2  ARG  97          1HH2      ARG  97   1.256 -20.043 -20.043
  253   2HH2  ARG  97          2HH2      ARG  97   1.277 -21.149 -21.149
  254    H    GLY  98           H        GLY  98  -1.056 -11.947 -11.947
  255   1HA   GLY  98          1HA       GLY  98  -3.727 -13.045 -13.045
  256   2HA   GLY  98          2HA       GLY  98  -2.756 -12.972 -12.972
  257    H    MET  99           H        MET  99  -5.141 -11.436 -11.436
  258    HA   MET  99           HA       MET  99  -4.453  -8.746  -8.746
  259   1HB   MET  99          2HB       MET  99  -6.618  -9.786  -9.786
  260   2HB   MET  99          1HB       MET  99  -7.122  -9.820  -9.820
  261   1HG   MET  99          1HG       MET  99  -6.194  -7.197  -7.197
  262   2HG   MET  99          2HG       MET  99  -7.510  -7.767  -7.767
  263   1HE   MET  99          2HE       MET  99  -8.020  -5.208  -5.208
  264   2HE   MET  99          1HE       MET  99  -8.587  -5.290  -5.290
  265   3HE   MET  99          3HE       MET  99  -6.883  -5.563  -5.563
  266    H    GLN 100           H        GLN 100  -5.278 -10.742 -10.742
  267    HA   GLN 100           HA       GLN 100  -5.645  -8.684  -8.684
  268   1HB   GLN 100          2HB       GLN 100  -4.960 -11.594 -11.594
  269   2HB   GLN 100          1HB       GLN 100  -4.859 -10.599 -10.599
  270   1HG   GLN 100          2HG       GLN 100  -7.122 -10.254 -10.254
  271   2HG   GLN 100          1HG       GLN 100  -7.340 -10.509 -10.509
  272   1HE2  GLN 100          1HE2      GLN 100  -8.782 -13.420 -13.420
  273   2HE2  GLN 100          2HE2      GLN 100  -9.091 -11.725 -11.725
  274    H    VAL 101           H        VAL 101  -2.809 -10.074 -10.074
  275    HA   VAL 101           HA       VAL 101  -0.908  -9.381  -9.381
  276    HB   VAL 101           HB       VAL 101  -0.471  -9.516  -9.516
  277   1HG1  VAL 101          3HG1      VAL 101   1.310  -8.444  -8.444
  278   2HG1  VAL 101          2HG1      VAL 101   1.511 -10.013 -10.013
  279   3HG1  VAL 101          1HG1      VAL 101   1.827  -9.841  -9.841
  280   1HG2  VAL 101          2HG2      VAL 101  -1.541 -11.544 -11.544
  281   2HG2  VAL 101          1HG2      VAL 101  -0.092 -11.814 -11.814
  282   3HG2  VAL 101          3HG2      VAL 101   0.020 -11.751 -11.751
  283    H    CYS 102           H        CYS 102  -2.387  -7.580  -7.580
  284    HA   CYS 102           HA       CYS 102  -0.665  -5.313  -5.313
  285   1HB   CYS 102          2HB       CYS 102  -3.458  -5.573  -5.573
  286   2HB   CYS 102          1HB       CYS 102  -2.393  -4.191  -4.191
  287    HG   CYS 102           HG       CYS 102  -0.896  -6.472  -6.472
  288    H    GLU 103           H        GLU 103  -3.674  -6.277  -6.277
  289    HA   GLU 103           HA       GLU 103  -4.329  -3.786  -3.786
  290   1HB   GLU 103          2HB       GLU 103  -4.965  -6.546  -6.546
  291   2HB   GLU 103          1HB       GLU 103  -5.802  -5.052  -5.052
  292   1HG   GLU 103          2HG       GLU 103  -6.783  -4.902  -4.902
  293   2HG   GLU 103          1HG       GLU 103  -5.668  -6.080  -6.080
  294    H    GLU 104           H        GLU 104  -2.305  -6.477  -6.477
  295    HA   GLU 104           HA       GLU 104  -1.693  -5.246  -5.246
  296   1HB   GLU 104          1HB       GLU 104  -0.206  -7.203  -7.203
  297   2HB   GLU 104          2HB       GLU 104  -1.857  -7.666  -7.666
  298   1HG   GLU 104          1HG       GLU 104  -1.217  -8.097  -8.097
  299   2HG   GLU 104          2HG       GLU 104   0.433  -7.580  -7.580
  300    H    ALA 105           H        ALA 105  -0.149  -5.808  -5.808
  301    HA   ALA 105           HA       ALA 105   2.431  -4.921  -4.921
  302   1HB   ALA 105          2HB       ALA 105   1.782  -6.091  -6.091
  303   2HB   ALA 105          1HB       ALA 105   1.021  -4.599  -4.599
  304   3HB   ALA 105          3HB       ALA 105   2.761  -4.650  -4.650
  305    H    LEU 106           H        LEU 106  -0.338  -3.131  -3.131
  306    HA   LEU 106           HA       LEU 106   0.798  -0.625  -0.625
  307   1HB   LEU 106          1HB       LEU 106  -1.492  -1.309  -1.309
  308   2HB   LEU 106          2HB       LEU 106  -2.011  -1.213  -1.213
  309    HG   LEU 106           HG       LEU 106  -1.483   1.197   1.197
  310   1HD1  LEU 106          2HD2      LEU 106  -0.662   0.620   0.620
  311   2HD1  LEU 106          1HD2      LEU 106  -1.165   2.232   2.232
  312   3HD1  LEU 106          3HD2      LEU 106   0.233   1.466   1.466
  313   1HD2  LEU 106          2HD1      LEU 106  -3.716   0.132   0.132
  314   2HD2  LEU 106          1HD1      LEU 106  -3.435   1.853   1.853
  315   3HD2  LEU 106          3HD1      LEU 106  -3.230   0.710   0.710
  316    H    LYS 107           H        LYS 107  -0.339  -2.295  -2.295
  317    HA   LYS 107           HA       LYS 107  -0.105  -0.001  -0.001
  318   1HB   LYS 107          2HB       LYS 107  -1.712  -1.659  -1.659
  319   2HB   LYS 107          1HB       LYS 107  -0.520  -2.946  -2.946
  320   1HG   LYS 107          2HG       LYS 107   0.183  -0.841  -0.841
  321   2HG   LYS 107          1HG       LYS 107  -1.308  -1.701  -1.701
  322   1HD   LYS 107          2HD       LYS 107   0.458  -3.703  -3.703
  323   2HD   LYS 107          1HD       LYS 107   1.448  -2.585  -2.585
  324   1HE   LYS 107          1HE       LYS 107  -0.022  -2.752  -2.752
  325   2HE   LYS 107          2HE       LYS 107  -1.209  -3.654  -3.654
  326   1HZ   LYS 107          1HZ       LYS 107   0.479  -5.431  -5.431
  327   2HZ   LYS 107          3HZ       LYS 107   1.483  -4.584  -4.584
  328   3HZ   LYS 107          2HZ       LYS 107  -0.010  -5.173  -5.173
  329    H    VAL 108           H        VAL 108   1.788  -2.915  -2.915
  330    HA   VAL 108           HA       VAL 108   3.795  -2.562  -2.562
  331    HB   VAL 108           HB       VAL 108   4.260  -3.712  -3.712
  332   1HG1  VAL 108          1HG1      VAL 108   5.852  -3.462  -3.462
  333   2HG1  VAL 108          3HG1      VAL 108   5.493  -5.171  -5.171
  334   3HG1  VAL 108          2HG1      VAL 108   6.259  -4.236  -4.236
  335   1HG2  VAL 108          1HG2      VAL 108   2.322  -4.540  -4.540
  336   2HG2  VAL 108          3HG2      VAL 108   2.835  -5.365  -5.365
  337   3HG2  VAL 108          2HG2      VAL 108   3.635  -5.715  -5.715
  338    H    LEU 109           H        LEU 109   3.330  -1.095  -1.095
  339    HA   LEU 109           HA       LEU 109   5.863  -0.046  -0.046
  340   1HB   LEU 109          1HB       LEU 109   3.147   0.473   0.473
  341   2HB   LEU 109          2HB       LEU 109   4.097   1.944   1.944
  342    HG   LEU 109           HG       LEU 109   4.306   1.120   1.120
  343   1HD1  LEU 109          1HD2      LEU 109   6.560   1.212   1.212
  344   2HD1  LEU 109          3HD2      LEU 109   6.845   0.017   0.017
  345   3HD1  LEU 109          2HD2      LEU 109   6.445   1.680   1.680
  346   1HD2  LEU 109          2HD1      LEU 109   4.661  -1.526  -1.526
  347   2HD2  LEU 109          1HD1      LEU 109   3.608  -1.073  -1.073
  348   3HD2  LEU 109          3HD1      LEU 109   5.344  -1.251  -1.251
  349    H    ARG 110           H        ARG 110   3.351   0.941   0.941
  350    HA   ARG 110           HA       ARG 110   4.644   3.440   3.440
  351   1HB   ARG 110          2HB       ARG 110   2.066   2.188   2.188
  352   2HB   ARG 110          1HB       ARG 110   2.721   2.885   2.885
  353   1HG   ARG 110          1HG       ARG 110   1.782   4.779   4.779
  354   2HG   ARG 110          2HG       ARG 110   3.169   4.881   4.881
  355   1HD   ARG 110          2HD       ARG 110   1.837   4.703   4.703
  356   2HD   ARG 110          1HD       ARG 110   1.198   3.174   3.174
  357    HE   ARG 110           HE       ARG 110  -0.708   4.280   4.280
  358   1HH1  ARG 110          1HH1      ARG 110   1.893   6.591   6.591
  359   2HH1  ARG 110          2HH1      ARG 110   0.870   7.957   7.957
  360   1HH2  ARG 110          1HH2      ARG 110  -2.064   6.072   6.072
  361   2HH2  ARG 110          2HH2      ARG 110  -1.380   7.661   7.661
  362    H    GLN 111           H        GLN 111   3.942   0.355   0.355
  363    HA   GLN 111           HA       GLN 111   5.213   0.850   0.850
  364   1HB   GLN 111          1HB       GLN 111   4.511  -1.581  -1.581
  365   2HB   GLN 111          2HB       GLN 111   5.687  -1.781  -1.781
  366   1HG   GLN 111          1HG       GLN 111   3.086  -0.395  -0.395
  367   2HG   GLN 111          2HG       GLN 111   3.192  -2.155  -2.155
  368   1HE2  GLN 111          2HE2      GLN 111   4.858  -2.392  -2.392
  369   2HE2  GLN 111          1HE2      GLN 111   4.410  -3.189  -3.189
  370    H    SER 112           H        SER 112   6.540   0.215   0.215
  371    HA   SER 112           HA       SER 112   9.177  -0.450  -0.450
  372   1HB   SER 112          2HB       SER 112   9.788  -0.679  -0.679
  373   2HB   SER 112          1HB       SER 112   8.141  -1.304  -1.304
  374    HG   SER 112           HG       SER 112   8.635   0.222   0.222
  375    H    ARG 113           H        ARG 113  10.976   0.856   0.856
  376    HA   ARG 113           HA       ARG 113  10.809   3.558   3.558
  377   1HB   ARG 113          2HB       ARG 113  13.152   3.725   3.725
  378   2HB   ARG 113          1HB       ARG 113  12.864   2.174   2.174
  379   1HG   ARG 113          1HG       ARG 113  14.147   1.418   1.418
  380   2HG   ARG 113          2HG       ARG 113  12.621   1.448   1.448
  381   1HD   ARG 113          2HD       ARG 113  14.114   2.544   2.544
  382   2HD   ARG 113          1HD       ARG 113  13.245   3.853   3.853
  383    HE   ARG 113           HE       ARG 113  15.576   3.251   3.251
  384   1HH1  ARG 113          1HH1      ARG 113  14.564   4.686   4.686
  385   2HH1  ARG 113          2HH1      ARG 113  15.937   5.734   5.734
  386   1HH2  ARG 113          1HH2      ARG 113  17.391   4.627   4.627
  387   2HH2  ARG 113          2HH2      ARG 113  17.547   5.701   5.701
  388    H    ARG 114           H        ARG 114   9.858   2.103   2.103
  389    HA   ARG 114           HA       ARG 114  10.740   3.612   3.612
  390   1HB   ARG 114          2HB       ARG 114   8.069   2.382   2.382
  391   2HB   ARG 114          1HB       ARG 114   8.321   3.276   3.276
  392   1HG   ARG 114          1HG       ARG 114   9.961   0.907   0.907
  393   2HG   ARG 114          2HG       ARG 114   8.607   0.836   0.836
  394   1HD   ARG 114          2HD       ARG 114  10.285   1.036   1.036
  395   2HD   ARG 114          1HD       ARG 114  10.023   2.749   2.749
  396    HE   ARG 114           HE       ARG 114  12.112   2.841   2.841
  397   1HH1  ARG 114          1HH1      ARG 114  11.060  -0.481  -0.481
  398   2HH1  ARG 114          2HH1      ARG 114  12.579  -1.100  -1.100
  399   1HH2  ARG 114          1HH2      ARG 114  14.114   2.035   2.035
  400   2HH2  ARG 114          2HH2      ARG 114  14.315   0.331   0.331
  401    H    ARG 115           H        ARG 115   9.155   5.196   5.196
  402    HA   ARG 115           HA       ARG 115   7.739   7.068   7.068
  403   1HB   ARG 115          2HB       ARG 115   9.907   7.857   7.857
  404   2HB   ARG 115          1HB       ARG 115  10.474   7.748   7.748
  405   1HG   ARG 115          1HG       ARG 115   9.879   9.841   9.841
  406   2HG   ARG 115          2HG       ARG 115   8.227   9.519   9.519
  407   1HD   ARG 115          1HD       ARG 115   8.903  11.167  11.167
  408   2HD   ARG 115          2HD       ARG 115   9.221   9.691   9.691
  409    HE   ARG 115           HE       ARG 115  11.529  10.389  10.389
  410   1HH1  ARG 115          1HH1      ARG 115   9.600  11.511  11.511
  411   2HH1  ARG 115          2HH1      ARG 115  10.931  12.270  12.270
  412   1HH2  ARG 115          1HH2      ARG 115  13.288  11.384  11.384
  413   2HH2  ARG 115          2HH2      ARG 115  13.028  12.199  12.199
  414    HA   PRO 116           HA       PRO 116   5.532   7.582   7.582
  415   1HB   PRO 116          2HB       PRO 116   5.252  10.379  10.379
  416   2HB   PRO 116          1HB       PRO 116   4.016   9.280   9.280
  417   1HG   PRO 116          1HG       PRO 116   4.247   9.714   9.714
  418   2HG   PRO 116          2HG       PRO 116   3.880   8.095   8.095
  419   1HD   PRO 116          1HD       PRO 116   6.427   9.168   9.168
  420   2HD   PRO 116          2HD       PRO 116   5.758   7.527   7.527
  421    H    VAL 117           H        VAL 117   5.826   8.544   8.544
  422    HA   VAL 117           HA       VAL 117   8.201  10.272  10.272
  423    HB   VAL 117           HB       VAL 117   8.582   7.921   7.921
  424   1HG1  VAL 117          3HG2      VAL 117   6.151   7.888   7.888
  425   2HG1  VAL 117          2HG2      VAL 117   6.966   8.512   8.512
  426   3HG1  VAL 117          1HG2      VAL 117   7.450   6.960   6.960
  427   1HG2  VAL 117          1HG1      VAL 117   9.534  10.224  10.224
  428   2HG2  VAL 117          3HG1      VAL 117  10.033   8.639   8.639
  429   3HG2  VAL 117          2HG1      VAL 117   8.805   9.559   9.559
  430    H    ARG 118           H        ARG 118   7.608  12.237  12.237
  431    HA   ARG 118           HA       ARG 118   5.127  12.786  12.786
  432   1HB   ARG 118          2HB       ARG 118   6.461  14.374  14.374
  433   2HB   ARG 118          1HB       ARG 118   7.537  14.603  14.603
  434   1HG   ARG 118          2HG       ARG 118   4.872  14.985  14.985
  435   2HG   ARG 118          1HG       ARG 118   5.100  15.923  15.923
  436   1HD   ARG 118          2HD       ARG 118   7.422  16.259  16.259
  437   2HD   ARG 118          1HD       ARG 118   6.032  16.478  16.478
  438    HE   ARG 118           HE       ARG 118   5.608  18.455  18.455
  439   1HH1  ARG 118          1HH1      ARG 118   7.638  16.512  16.512
  440   2HH1  ARG 118          2HH1      ARG 118   7.863  17.761  17.761
  441   1HH2  ARG 118          1HH2      ARG 118   5.897  20.109  20.109
  442   2HH2  ARG 118          2HH2      ARG 118   6.873  19.806  19.806
  443    H    GLY 119           H        GLY 119   5.713  11.015  11.015
  444   1HA   GLY 119          2HA       GLY 119   7.083  12.298  12.298
  445   2HA   GLY 119          1HA       GLY 119   7.076  10.566  10.566
  446    H    LEU 120           H        LEU 120   6.239  10.120  10.120
  447    HA   LEU 120           HA       LEU 120   3.361  10.628  10.628
  448   1HB   LEU 120          1HB       LEU 120   4.186  12.245  12.245
  449   2HB   LEU 120          2HB       LEU 120   5.508  11.227  11.227
  450    HG   LEU 120           HG       LEU 120   3.740   9.771   9.771
  451   1HD1  LEU 120          2HD2      LEU 120   2.028  11.557  11.557
  452   2HD1  LEU 120          1HD2      LEU 120   1.884  11.909  11.909
  453   3HD1  LEU 120          3HD2      LEU 120   1.595  10.273  10.273
  454   1HD2  LEU 120          3HD1      LEU 120   4.275  12.594  12.594
  455   2HD2  LEU 120          2HD1      LEU 120   5.178  11.139  11.139
  456   3HD2  LEU 120          1HD1      LEU 120   3.535  11.361  11.361
  457    H    LEU 121           H        LEU 121   2.232   8.836   8.836
  458    HA   LEU 121           HA       LEU 121   3.605   6.336   6.336
  459   1HB   LEU 121          1HB       LEU 121   1.247   7.037   7.037
  460   2HB   LEU 121          2HB       LEU 121   0.682   6.391   6.391
  461    HG   LEU 121           HG       LEU 121   2.282   4.958   4.958
  462   1HD1  LEU 121          1HD2      LEU 121  -0.243   5.213   5.213
  463   2HD1  LEU 121          3HD2      LEU 121  -0.335   4.167   4.167
  464   3HD1  LEU 121          2HD2      LEU 121   0.403   3.572   3.572
  465   1HD2  LEU 121          1HD1      LEU 121   3.160   4.399   4.399
  466   2HD2  LEU 121          3HD1      LEU 121   2.329   3.036   3.036
  467   3HD2  LEU 121          2HD1      LEU 121   1.531   3.963   3.963
  468    H    HIS 122           H        HIS 122   4.578   6.482   6.482
  469    HA   HIS 122           HA       HIS 122   3.141   7.225   7.225
  470   1HB   HIS 122          2HB       HIS 122   5.841   6.689   6.689
  471   2HB   HIS 122          1HB       HIS 122   5.424   5.623   5.623
  472    HD1  HIS 122           HD1      HIS 122   3.989   7.169   7.169
  473    HD2  HIS 122           HD2      HIS 122   6.854   8.977   8.977
  474    HE1  HIS 122           HE1      HIS 122   4.705   9.270   9.270
  475    H    VAL 123           H        VAL 123   1.336   5.959   5.959
  476    HA   VAL 123           HA       VAL 123   1.709   3.060   3.060
  477    HB   VAL 123           HB       VAL 123  -0.937   4.485   4.485
  478   1HG1  VAL 123          2HG1      VAL 123   0.000   1.704   1.704
  479   2HG1  VAL 123          1HG1      VAL 123  -1.363   2.117   2.117
  480   3HG1  VAL 123          3HG1      VAL 123  -1.476   2.363   2.363
  481   1HG2  VAL 123          2HG2      VAL 123   0.825   4.404   4.404
  482   2HG2  VAL 123          1HG2      VAL 123  -0.807   5.066   5.066
  483   3HG2  VAL 123          3HG2      VAL 123  -0.567   3.374   3.374
  484    H    SER 124           H        SER 124   0.647   1.945   1.945
  485    HA   SER 124           HA       SER 124  -0.147   3.380   3.380
  486   1HB   SER 124          2HB       SER 124   2.156   1.875   1.875
  487   2HB   SER 124          1HB       SER 124   1.785   3.581   3.581
  488    HG   SER 124           HG       SER 124   3.708   3.342   3.342
  489    H    GLY 125           H        GLY 125  -1.157   1.265   1.265
  490   1HA   GLY 125          2HA       GLY 125  -2.032  -0.862  -0.862
  491   2HA   GLY 125          1HA       GLY 125  -2.299  -0.442  -0.442
  492    H    ASP 126           H        ASP 126   0.722  -1.016  -1.016
  493    HA   ASP 126           HA       ASP 126   1.172  -3.593  -3.593
  494   1HB   ASP 126          1HB       ASP 126   1.613  -1.560  -1.560
  495   2HB   ASP 126          2HB       ASP 126   3.223  -1.918  -1.918
  496    H    GLY 127           H        GLY 127   2.725  -0.607  -0.607
  497   1HA   GLY 127          2HA       GLY 127   4.164  -2.187  -2.187
  498   2HA   GLY 127          1HA       GLY 127   5.142  -1.286  -1.286
  499    H    LEU 128           H        LEU 128   3.743  -1.224  -1.224
  500    HA   LEU 128           HA       LEU 128   3.295   1.642   1.642
  501   1HB   LEU 128          1HB       LEU 128   3.491  -0.095  -0.095
  502   2HB   LEU 128          2HB       LEU 128   2.483   1.311   1.311
  503    HG   LEU 128           HG       LEU 128   1.924  -1.113  -1.113
  504   1HD1  LEU 128          3HD1      LEU 128   2.170  -1.307  -1.307
  505   2HD1  LEU 128          2HD1      LEU 128   0.439  -1.198  -1.198
  506   3HD1  LEU 128          1HD1      LEU 128   1.405  -2.460  -2.460
  507   1HD2  LEU 128          2HD2      LEU 128   0.689   1.012   1.012
  508   2HD2  LEU 128          1HD2      LEU 128  -0.345  -0.336  -0.336
  509   3HD2  LEU 128          3HD2      LEU 128   0.135   0.868   0.868
  510    H    ARG 129           H        ARG 129   4.895   3.046   3.046
  511    HA   ARG 129           HA       ARG 129   7.243   2.195   2.195
  512   1HB   ARG 129          1HB       ARG 129   7.379   3.870   3.870
  513   2HB   ARG 129          2HB       ARG 129   8.735   3.274   3.274
  514   1HG   ARG 129          1HG       ARG 129   7.492   0.951   0.951
  515   2HG   ARG 129          2HG       ARG 129   7.090   1.910   1.910
  516   1HD   ARG 129          2HD       ARG 129   9.851   1.381   1.381
  517   2HD   ARG 129          1HD       ARG 129   9.147   0.682   0.682
  518    HE   ARG 129           HE       ARG 129  10.269   3.318   3.318
  519   1HH1  ARG 129          1HH1      ARG 129   8.130   1.290   1.290
  520   2HH1  ARG 129          2HH1      ARG 129   8.241   2.257   2.257
  521   1HH2  ARG 129          1HH2      ARG 129  10.423   4.601   4.601
  522   2HH2  ARG 129          2HH2      ARG 129   9.545   4.140   4.140
  523    H    VAL 130           H        VAL 130   6.816   3.365   3.365
  524    HA   VAL 130           HA       VAL 130   5.973   6.129   6.129
  525    HB   VAL 130           HB       VAL 130   5.053   4.803   4.803
  526   1HG1  VAL 130          2HG2      VAL 130   7.924   4.297   4.297
  527   2HG1  VAL 130          1HG2      VAL 130   6.606   4.057   4.057
  528   3HG1  VAL 130          3HG2      VAL 130   6.657   3.123   3.123
  529   1HG2  VAL 130          3HG1      VAL 130   6.349   7.271   7.271
  530   2HG2  VAL 130          2HG1      VAL 130   5.011   6.610   6.610
  531   3HG2  VAL 130          1HG1      VAL 130   6.673   6.328   6.328
  532    H    VAL 131           H        VAL 131   7.253   7.867   7.867
  533    HA   VAL 131           HA       VAL 131  10.021   7.548   7.548
  534    HB   VAL 131           HB       VAL 131  10.158   7.452   7.452
  535   1HG1  VAL 131          2HG2      VAL 131   8.241   9.702   9.702
  536   2HG1  VAL 131          1HG2      VAL 131   9.431   9.745   9.745
  537   3HG1  VAL 131          3HG2      VAL 131   8.340   8.367   8.367
  538   1HG2  VAL 131          1HG1      VAL 131  11.662   9.036   9.036
  539   2HG2  VAL 131          3HG1      VAL 131  11.882   8.915   8.915
  540   3HG2  VAL 131          2HG1      VAL 131  10.976  10.265  10.265
  541    H    ASP 132           H        ASP 132  10.714   9.128   9.128
  542    HA   ASP 132           HA       ASP 132   8.914  11.065  11.065
  543   1HB   ASP 132          2HB       ASP 132  10.888  10.009  10.009
  544   2HB   ASP 132          1HB       ASP 132  11.913  11.136  11.136
  545    H    ASP 133           H        ASP 133   8.927  13.320  13.320
  546    HA   ASP 133           HA       ASP 133  10.025  14.287  14.287
  547   1HB   ASP 133          1HB       ASP 133   7.861  15.327  15.327
  548   2HB   ASP 133          2HB       ASP 133   8.486  16.266  16.266
  549    H    GLU 134           H        GLU 134  11.498  13.962  13.962
  550    HA   GLU 134           HA       GLU 134  12.556  16.707  16.707
  551   1HB   GLU 134          1HB       GLU 134  11.232  15.913  15.913
  552   2HB   GLU 134          2HB       GLU 134  12.589  14.837  14.837
  553   1HG   GLU 134          2HG       GLU 134  14.036  16.577  16.577
  554   2HG   GLU 134          1HG       GLU 134  13.051  17.760  17.760
  555    H    THR 135           H        THR 135  13.230  13.262  13.262
  556    HA   THR 135           HA       THR 135  16.094  13.804  13.804
  557    HB   THR 135           HB       THR 135  16.339  11.386  11.386
  558    HG1  THR 135          1HG       THR 135  14.283  10.622  10.622
  559   1HG2  THR 135          3HG2      THR 135  15.330  13.552  13.552
  560   2HG2  THR 135          2HG2      THR 135  15.514  11.926  11.926
  561   3HG2  THR 135          1HG2      THR 135  16.905  12.760  12.760
  562    H    LYS 136           H        LYS 136  13.315  12.266  12.266
  563    HA   LYS 136           HA       LYS 136  12.973  11.095  11.095
  564   1HB   LYS 136          1HB       LYS 136  14.028  13.463  13.463
  565   2HB   LYS 136          2HB       LYS 136  15.292  12.428  12.428
  566   1HG   LYS 136          2HG       LYS 136  13.828  12.814  12.814
  567   2HG   LYS 136          1HG       LYS 136  13.440  11.189  11.189
  568   1HD   LYS 136          1HD       LYS 136  11.576  12.150  12.150
  569   2HD   LYS 136          2HD       LYS 136  11.931  13.726  13.726
  570   1HE   LYS 136          1HE       LYS 136  11.614  11.556  11.556
  571   2HE   LYS 136          2HE       LYS 136  10.162  11.920  11.920
  572   1HZ   LYS 136          3HZ       LYS 136  11.732  14.031  14.031
  573   2HZ   LYS 136          2HZ       LYS 136  10.485  13.195  13.195
  574   3HZ   LYS 136          1HZ       LYS 136  10.151  14.122  14.122
  575    H    GLY 137           H        GLY 137  14.325   9.524   9.524
  576   1HA   GLY 137          1HA       GLY 137  16.459   8.315   8.315
  577   2HA   GLY 137          2HA       GLY 137  16.376   8.199   8.199
  578    H    LEU 138           H        LEU 138  13.402   7.909   7.909
  579    HA   LEU 138           HA       LEU 138  11.915   6.219   6.219
  580   1HB   LEU 138          1HB       LEU 138  13.071   5.473   5.473
  581   2HB   LEU 138          2HB       LEU 138  14.514   5.114   5.114
  582    HG   LEU 138           HG       LEU 138  13.387   3.097   3.097
  583   1HD1  LEU 138          1HD1      LEU 138  11.081   4.346   4.346
  584   2HD1  LEU 138          3HD1      LEU 138  11.310   2.875   2.875
  585   3HD1  LEU 138          2HD1      LEU 138  11.202   2.785   2.785
  586   1HD2  LEU 138          3HD2      LEU 138  14.414   3.510   3.510
  587   2HD2  LEU 138          2HD2      LEU 138  14.344   2.002   2.002
  588   3HD2  LEU 138          1HD2      LEU 138  13.023   2.439   2.439
  589    H    ILE 139           H        ILE 139  10.964   4.465   4.465
  590    HA   ILE 139           HA       ILE 139  12.421   3.443   3.443
  591    HB   ILE 139           HB       ILE 139   9.469   3.920   3.920
  592   1HG1  ILE 139          2HG1      ILE 139  11.642   5.928   5.928
  593   2HG1  ILE 139          1HG1      ILE 139  10.383   6.094   6.094
  594   1HG2  ILE 139          2HG2      ILE 139  11.643   3.762   3.762
  595   2HG2  ILE 139          1HG2      ILE 139   9.930   4.019   4.019
  596   3HG2  ILE 139          3HG2      ILE 139  10.472   2.502   2.502
  597   1HD1  ILE 139          1HD1      ILE 139   8.810   5.791   5.791
  598   2HD1  ILE 139          3HD1      ILE 139  10.230   6.403   6.403
  599   3HD1  ILE 139          2HD1      ILE 139   9.490   7.359   7.359
  600    H    VAL 140           H        VAL 140   9.529   2.956   2.956
  601    HA   VAL 140           HA       VAL 140   9.941   0.058   0.058
  602    HB   VAL 140           HB       VAL 140   7.347   1.402   1.402
  603   1HG1  VAL 140          3HG1      VAL 140   8.140  -1.178  -1.178
  604   2HG1  VAL 140          2HG1      VAL 140   7.334  -1.282  -1.282
  605   3HG1  VAL 140          1HG1      VAL 140   6.466  -0.648  -0.648
  606   1HG2  VAL 140          1HG2      VAL 140   8.107   1.962   1.962
  607   2HG2  VAL 140          3HG2      VAL 140   6.580   1.084   1.084
  608   3HG2  VAL 140          2HG2      VAL 140   8.062   0.238   0.238
  609    H    ASP 141           H        ASP 141  10.154  -1.187  -1.187
  610    HA   ASP 141           HA       ASP 141   9.568  -0.055  -0.055
  611   1HB   ASP 141          2HB       ASP 141  11.922   0.493   0.493
  612   2HB   ASP 141          1HB       ASP 141  12.268  -1.188  -1.188
  613    H    GLN 142           H        GLN 142   7.899  -1.799  -1.799
  614    HA   GLN 142           HA       GLN 142   8.794  -4.438  -4.438
  615   1HB   GLN 142          2HB       GLN 142   6.391  -3.943  -3.943
  616   2HB   GLN 142          1HB       GLN 142   7.219  -5.464  -5.464
  617   1HG   GLN 142          1HG       GLN 142   8.132  -3.150  -3.150
  618   2HG   GLN 142          2HG       GLN 142   7.823  -4.812  -4.812
  619   1HE2  GLN 142          2HE2      GLN 142  10.879  -6.043  -6.043
  620   2HE2  GLN 142          1HE2      GLN 142   9.200  -6.433  -6.433
  621    H    THR 143           H        THR 143   7.121  -5.758  -5.758
  622    HA   THR 143           HA       THR 143   5.548  -4.104  -4.104
  623    HB   THR 143           HB       THR 143   6.287  -7.027  -7.027
  624    HG1  THR 143          1HG       THR 143   8.090  -5.695  -5.695
  625   1HG2  THR 143          3HG2      THR 143   4.535  -5.360  -5.360
  626   2HG2  THR 143          2HG2      THR 143   5.796  -6.181  -6.181
  627   3HG2  THR 143          1HG2      THR 143   4.684  -7.116  -7.116
  628    H    ILE 144           H        ILE 144   3.442  -3.939  -3.939
  629    HA   ILE 144           HA       ILE 144   1.978  -5.022  -5.022
  630    HB   ILE 144           HB       ILE 144   1.483  -3.028  -3.028
  631   1HG1  ILE 144          1HG1      ILE 144  -0.759  -4.813  -4.813
  632   2HG1  ILE 144          2HG1      ILE 144   0.121  -3.640  -3.640
  633   1HG2  ILE 144          1HG2      ILE 144   1.297  -4.690  -4.690
  634   2HG2  ILE 144          3HG2      ILE 144  -0.354  -4.906  -4.906
  635   3HG2  ILE 144          2HG2      ILE 144   0.209  -3.306  -3.306
  636   1HD1  ILE 144          3HD1      ILE 144  -0.785  -2.186  -2.186
  637   2HD1  ILE 144          2HD1      ILE 144  -2.127  -3.251  -3.251
  638   3HD1  ILE 144          1HD1      ILE 144  -1.441  -2.170  -2.170
  639    H    GLU 145           H        GLU 145   2.589  -6.315  -6.315
  640    HA   GLU 145           HA       GLU 145   0.578  -8.343  -8.343
  641   1HB   GLU 145          2HB       GLU 145   1.324  -7.672  -7.672
  642   2HB   GLU 145          1HB       GLU 145   3.008  -7.964  -7.964
  643   1HG   GLU 145          1HG       GLU 145   2.805 -10.246 -10.246
  644   2HG   GLU 145          2HG       GLU 145   1.063 -10.221 -10.221
  645    H    LYS 146           H        LYS 146   3.814  -7.997  -7.997
  646    HA   LYS 146           HA       LYS 146   4.025 -10.855 -10.855
  647   1HB   LYS 146          2HB       LYS 146   5.910  -8.833  -8.833
  648   2HB   LYS 146          1HB       LYS 146   6.225  -9.336  -9.336
  649   1HG   LYS 146          2HG       LYS 146   6.444 -11.640 -11.640
  650   2HG   LYS 146          1HG       LYS 146   6.038 -11.187 -11.187
  651   1HD   LYS 146          1HD       LYS 146   8.052  -9.580  -9.580
  652   2HD   LYS 146          2HD       LYS 146   8.517 -10.579 -10.579
  653   1HE   LYS 146          2HE       LYS 146   9.441 -12.027 -12.027
  654   2HE   LYS 146          1HE       LYS 146   7.846 -12.349 -12.349
  655   1HZ   LYS 146          1HZ       LYS 146   8.245 -10.354 -10.354
  656   2HZ   LYS 146          3HZ       LYS 146   9.858 -10.397 -10.397
  657   3HZ   LYS 146          2HZ       LYS 146   9.202 -11.708 -11.708
  658    H    VAL 147           H        VAL 147   3.835  -7.711  -7.711
  659    HA   VAL 147           HA       VAL 147   4.234  -8.400  -8.400
  660    HB   VAL 147           HB       VAL 147   2.063  -6.505  -6.505
  661   1HG1  VAL 147          1HG1      VAL 147   2.177  -7.063  -7.063
  662   2HG1  VAL 147          3HG1      VAL 147   3.829  -6.446  -6.446
  663   3HG1  VAL 147          2HG1      VAL 147   2.490  -5.361  -5.361
  664   1HG2  VAL 147          2HG2      VAL 147   4.899  -6.362  -6.362
  665   2HG2  VAL 147          1HG2      VAL 147   3.615  -5.279  -5.279
  666   3HG2  VAL 147          3HG2      VAL 147   4.371  -5.036  -5.036
  667    H    SER 148           H        SER 148   2.930  -9.186  -9.186
  668    HA   SER 148           HA       SER 148   1.242 -11.280 -11.280
  669   1HB   SER 148          2HB       SER 148   1.037  -9.573  -9.573
  670   2HB   SER 148          1HB       SER 148   0.646 -11.285 -11.285
  671    HG   SER 148           HG       SER 148   2.646 -11.246 -11.246
  672    H    PHE 149           H        PHE 149   0.427  -7.893  -7.893
  673    HA   PHE 149           HA       PHE 149  -1.661  -7.483  -7.483
  674   1HB   PHE 149          2HB       PHE 149  -3.715  -7.934  -7.934
  675   2HB   PHE 149          1HB       PHE 149  -2.955  -9.351  -9.351
  676    HD1  PHE 149           HD2      PHE 149  -2.719  -7.304  -7.304
  677    HD2  PHE 149           HD1      PHE 149  -2.764 -11.185 -11.185
  678    HE1  PHE 149           HE2      PHE 149  -2.578  -8.312  -8.312
  679    HE2  PHE 149           HE1      PHE 149  -2.621 -12.198 -12.198
  680    HZ   PHE 149           HZ       PHE 149  -2.529 -10.761 -10.761
  681    H    CYS 150           H        CYS 150  -3.516  -6.029  -6.029
  682    HA   CYS 150           HA       CYS 150  -2.041  -4.275  -4.275
  683   1HB   CYS 150          1HB       CYS 150  -3.056  -2.349  -2.349
  684   2HB   CYS 150          2HB       CYS 150  -2.352  -3.314  -3.314
  685    HG   CYS 150           HG       CYS 150  -5.370  -2.873  -2.873
  686    H    ALA 151           H        ALA 151  -3.107  -3.521  -3.521
  687    HA   ALA 151           HA       ALA 151  -5.933  -3.636  -3.636
  688   1HB   ALA 151          1HB       ALA 151  -4.278  -5.816  -5.816
  689   2HB   ALA 151          3HB       ALA 151  -5.828  -5.321  -5.321
  690   3HB   ALA 151          2HB       ALA 151  -5.753  -5.953  -5.953
  691    HA   PRO 152           HA       PRO 152  -4.473  -0.738  -0.738
  692   1HB   PRO 152          1HB       PRO 152  -6.829   0.336   0.336
  693   2HB   PRO 152          2HB       PRO 152  -6.112   0.617   0.617
  694   1HG   PRO 152          2HG       PRO 152  -8.336  -1.213  -1.213
  695   2HG   PRO 152          1HG       PRO 152  -8.132  -0.247  -0.247
  696   1HD   PRO 152          2HD       PRO 152  -7.581  -2.967  -2.967
  697   2HD   PRO 152          1HD       PRO 152  -6.988  -1.904  -1.904
  698    H    ASP 153           H        ASP 153  -7.510  -1.205  -1.205
  699    HA   ASP 153           HA       ASP 153  -6.576  -3.233  -3.233
  700   1HB   ASP 153          1HB       ASP 153  -5.475  -1.021  -1.021
  701   2HB   ASP 153          2HB       ASP 153  -7.093  -0.531  -0.531
  702    H    ARG 154           H        ARG 154  -8.803  -0.450  -0.450
  703    HA   ARG 154           HA       ARG 154 -11.106  -2.127  -2.127
  704   1HB   ARG 154          2HB       ARG 154 -10.163  -1.386  -1.386
  705   2HB   ARG 154          1HB       ARG 154 -11.838  -0.944  -0.944
  706   1HG   ARG 154          2HG       ARG 154 -11.169  -3.649  -3.649
  707   2HG   ARG 154          1HG       ARG 154 -10.970  -3.381  -3.381
  708   1HD   ARG 154          2HD       ARG 154 -13.249  -2.556  -2.556
  709   2HD   ARG 154          1HD       ARG 154 -13.456  -2.741  -2.741
  710    HE   ARG 154           HE       ARG 154 -13.813  -4.981  -4.981
  711   1HH1  ARG 154          1HH1      ARG 154 -12.384  -3.634  -3.634
  712   2HH1  ARG 154          2HH1      ARG 154 -12.594  -5.076  -5.076
  713   1HH2  ARG 154          1HH2      ARG 154 -14.094  -6.885  -6.885
  714   2HH2  ARG 154          2HH2      ARG 154 -13.567  -6.925  -6.925
  715    H    ASN 155           H        ASN 155  -9.851   0.300   0.300
  716    HA   ASN 155           HA       ASN 155 -10.372   2.423   2.423
  717   1HB   ASN 155          2HB       ASN 155 -12.015   0.994   0.994
  718   2HB   ASN 155          1HB       ASN 155 -13.168   1.273   1.273
  719   1HD2  ASN 155          2HD2      ASN 155 -14.436   4.013   4.013
  720   2HD2  ASN 155          1HD2      ASN 155 -14.687   2.549   2.549
  721    H    HIS 156           H        HIS 156  -9.949   2.533   2.533
  722    HA   HIS 156           HA       HIS 156 -12.079   4.332   4.332
  723   1HB   HIS 156          1HB       HIS 156 -11.068   1.947   1.947
  724   2HB   HIS 156          2HB       HIS 156 -10.687   3.328   3.328
  725    HD1  HIS 156           HD1      HIS 156 -12.598   4.316   4.316
  726    HD2  HIS 156           HD2      HIS 156 -13.863   1.595   1.595
  727    HE1  HIS 156           HE1      HIS 156 -15.058   3.918   3.918
  728    H    GLU 157           H        GLU 157  -8.939   4.261   4.261
  729    HA   GLU 157           HA       GLU 157  -8.467   6.775   6.775
  730   1HB   GLU 157          1HB       GLU 157  -5.942   5.804   5.804
  731   2HB   GLU 157          2HB       GLU 157  -7.063   5.783   5.783
  732   1HG   GLU 157          1HG       GLU 157  -7.562   3.532   3.532
  733   2HG   GLU 157          2HG       GLU 157  -6.935   3.507   3.507
  734    H    ARG 158           H        ARG 158  -8.816   5.482   5.482
  735    HA   ARG 158           HA       ARG 158  -8.125   5.992   5.992
  736   1HB   ARG 158          1HB       ARG 158  -7.017   8.370   8.370
  737   2HB   ARG 158          2HB       ARG 158  -7.033   8.244   8.244
  738   1HG   ARG 158          1HG       ARG 158  -8.932   9.462   9.462
  739   2HG   ARG 158          2HG       ARG 158  -9.587   7.824   7.824
  740   1HD   ARG 158          1HD       ARG 158  -8.765   8.357   8.357
  741   2HD   ARG 158          2HD       ARG 158  -9.677   9.759   9.759
  742    HE   ARG 158           HE       ARG 158 -10.752   7.274   7.274
  743   1HH1  ARG 158          2HH1      ARG 158 -11.060   9.690   9.690
  744   2HH1  ARG 158          1HH1      ARG 158 -12.721   9.325   9.325
  745   1HH2  ARG 158          2HH2      ARG 158 -12.940   6.790   6.790
  746   2HH2  ARG 158          1HH2      ARG 158 -13.789   7.679   7.679
  747    H    GLY 159           H        GLY 159  -6.464   4.219   4.219
  748   1HA   GLY 159          1HA       GLY 159  -3.818   4.900   4.900
  749   2HA   GLY 159          2HA       GLY 159  -4.008   4.060   4.060
  750    H    PHE 160           H        PHE 160  -2.724   3.368   3.368
  751    HA   PHE 160           HA       PHE 160  -4.200   0.896   0.896
  752   1HB   PHE 160          1HB       PHE 160  -2.969   2.789   2.789
  753   2HB   PHE 160          2HB       PHE 160  -2.011   1.317   1.317
  754    HD1  PHE 160           HD1      PHE 160  -4.000  -0.783  -0.783
  755    HD2  PHE 160           HD2      PHE 160  -4.200   2.903   2.903
  756    HE1  PHE 160           HE1      PHE 160  -5.650  -1.761  -1.761
  757    HE2  PHE 160           HE2      PHE 160  -5.856   1.929   1.929
  758    HZ   PHE 160           HZ       PHE 160  -6.580  -0.404  -0.404
  759    H    SER 161           H        SER 161  -2.110  -0.544  -0.544
  760    HA   SER 161           HA       SER 161   0.263  -0.759  -0.759
  761   1HB   SER 161          1HB       SER 161  -0.579  -1.217  -1.217
  762   2HB   SER 161          2HB       SER 161  -2.017  -2.015  -2.015
  763    HG   SER 161           HG       SER 161   0.345  -3.088  -3.088
  764    H    TYR 162           H        TYR 162   1.485  -2.113  -2.113
  765    HA   TYR 162           HA       TYR 162   0.137  -4.155  -4.155
  766   1HB   TYR 162          2HB       TYR 162   2.854  -2.950  -2.950
  767   2HB   TYR 162          1HB       TYR 162   1.878  -3.933  -3.933
  768    HD1  TYR 162           HD2      TYR 162  -0.720  -2.289  -2.289
  769    HD2  TYR 162           HD1      TYR 162   3.066  -1.281  -1.281
  770    HE1  TYR 162           HE2      TYR 162  -1.696  -0.252  -0.252
  771    HE2  TYR 162           HE1      TYR 162   2.100   0.761   0.761
  772    HH   TYR 162           HH2      TYR 162  -1.103   1.840   1.840
  773    H    ILE 163           H        ILE 163   1.956  -5.862  -5.862
  774    HA   ILE 163           HA       ILE 163   3.795  -6.601  -6.601
  775    HB   ILE 163           HB       ILE 163   2.619  -8.866  -8.866
  776   1HG1  ILE 163          1HG1      ILE 163   0.066  -7.377  -7.377
  777   2HG1  ILE 163          2HG1      ILE 163   0.836  -7.976  -7.976
  778   1HG2  ILE 163          3HG2      ILE 163   2.810  -6.669  -6.669
  779   2HG2  ILE 163          2HG2      ILE 163   1.054  -6.767  -6.767
  780   3HG2  ILE 163          1HG2      ILE 163   1.964  -8.125  -8.125
  781   1HD1  ILE 163          1HD1      ILE 163   0.920 -10.131 -10.131
  782   2HD1  ILE 163          3HD1      ILE 163  -0.654  -9.397  -9.397
  783   3HD1  ILE 163          2HD1      ILE 163  -0.208  -9.890  -9.890
  784    H    CYS 164           H        CYS 164   5.261  -8.144  -8.144
  785    HA   CYS 164           HA       CYS 164   4.775  -9.840  -9.840
  786   1HB   CYS 164          1HB       CYS 164   6.607  -8.677  -8.677
  787   2HB   CYS 164          2HB       CYS 164   4.977  -8.011  -8.011
  788    HG   CYS 164           HG       CYS 164   6.039  -5.898  -5.898
  789    H    ARG 165           H        ARG 165   6.167 -11.503 -11.503
  790    HA   ARG 165           HA       ARG 165   8.153 -11.693 -11.693
  791   1HB   ARG 165          1HB       ARG 165   6.844 -13.618 -13.618
  792   2HB   ARG 165          2HB       ARG 165   7.862 -13.479 -13.479
  793   1HG   ARG 165          2HG       ARG 165   9.282 -13.693 -13.693
  794   2HG   ARG 165          1HG       ARG 165   8.382 -15.122 -15.122
  795   1HD   ARG 165          1HD       ARG 165   9.580 -14.538 -14.538
  796   2HD   ARG 165          2HD       ARG 165  10.764 -13.839 -13.839
  797    HE   ARG 165           HE       ARG 165  11.341 -15.954 -15.954
  798   1HH1  ARG 165          1HH1      ARG 165   8.398 -16.087 -16.087
  799   2HH1  ARG 165          2HH1      ARG 165   8.388 -17.815 -17.815
  800   1HH2  ARG 165          2HH2      ARG 165  11.341 -18.230 -18.230
  801   2HH2  ARG 165          1HH2      ARG 165  10.062 -19.035 -19.035
  802    H    ASP 166           H        ASP 166   9.500  -9.879  -9.879
  803    HA   ASP 166           HA       ASP 166  10.748  -9.430  -9.430
  804   1HB   ASP 166          1HB       ASP 166  11.433  -8.524  -8.524
  805   2HB   ASP 166          2HB       ASP 166  12.329  -8.023  -8.023
  806    H    GLY 167           H        GLY 167  12.064 -10.774 -10.774
  807   1HA   GLY 167          2HA       GLY 167  13.896 -12.470 -12.470
  808   2HA   GLY 167          1HA       GLY 167  13.687 -12.435 -12.435
  809    H    THR 168           H        THR 168  13.901  -9.394  -9.394
  810    HA   THR 168           HA       THR 168  16.837  -9.297  -9.297
  811    HB   THR 168           HB       THR 168  15.970  -6.987  -6.987
  812    HG1  THR 168          1HG       THR 168  14.210  -7.407  -7.407
  813   1HG2  THR 168          1HG2      THR 168  17.458  -9.300  -9.300
  814   2HG2  THR 168          3HG2      THR 168  16.354  -8.935  -8.935
  815   3HG2  THR 168          2HG2      THR 168  17.481  -7.705  -7.705
  816    H    THR 169           H        THR 169  13.934  -7.375  -7.375
  817    HA   THR 169           HA       THR 169  15.119  -5.241  -5.241
  818    HB   THR 169           HB       THR 169  12.679  -6.448  -6.448
  819    HG1  THR 169          1HG       THR 169  12.895  -5.509  -5.509
  820   1HG2  THR 169          3HG2      THR 169  13.807  -4.000  -4.000
  821   2HG2  THR 169          2HG2      THR 169  12.579  -3.717  -3.717
  822   3HG2  THR 169          1HG2      THR 169  12.117  -4.393  -4.393
  823    H    ARG 170           H        ARG 170  13.786  -8.090  -8.090
  824    HA   ARG 170           HA       ARG 170  16.123  -8.368  -8.368
  825   1HB   ARG 170          1HB       ARG 170  13.641  -7.088  -7.088
  826   2HB   ARG 170          2HB       ARG 170  14.752  -7.979  -7.979
  827   1HG   ARG 170          1HG       ARG 170  16.565  -6.440  -6.440
  828   2HG   ARG 170          2HG       ARG 170  15.224  -5.438  -5.438
  829   1HD   ARG 170          1HD       ARG 170  16.101  -4.730  -4.730
  830   2HD   ARG 170          2HD       ARG 170  14.401  -5.192  -5.192
  831    HE   ARG 170           HE       ARG 170  16.001  -7.415  -7.415
  832   1HH1  ARG 170          1HH1      ARG 170  14.968  -4.355  -4.355
  833   2HH1  ARG 170          2HH1      ARG 170  15.096  -4.864  -4.864
  834   1HH2  ARG 170          1HH2      ARG 170  16.174  -8.098  -8.098
  835   2HH2  ARG 170          2HH2      ARG 170  15.781  -6.992  -6.992
  836    H    ARG 171           H        ARG 171  12.643  -9.078  -9.078
  837    HA   ARG 171           HA       ARG 171  12.678 -11.787 -11.787
  838   1HB   ARG 171          1HB       ARG 171  12.396 -12.690 -12.690
  839   2HB   ARG 171          2HB       ARG 171  13.973 -11.974 -11.974
  840   1HG   ARG 171          2HG       ARG 171  13.628 -10.656 -10.656
  841   2HG   ARG 171          1HG       ARG 171  12.207  -9.960  -9.960
  842   1HD   ARG 171          1HD       ARG 171  10.753 -11.333 -11.333
  843   2HD   ARG 171          2HD       ARG 171  11.931 -12.634 -12.634
  844    HE   ARG 171           HE       ARG 171  11.487 -10.456 -10.456
  845   1HH1  ARG 171          2HH2      ARG 171  13.742 -12.869 -12.869
  846   2HH1  ARG 171          1HH2      ARG 171  14.646 -12.891 -12.891
  847   1HH2  ARG 171          2HH1      ARG 171  12.672 -10.478 -10.478
  848   2HH2  ARG 171          1HH1      ARG 171  14.038 -11.531 -11.531
  849    H    TRP 172           H        TRP 172  10.591 -12.233 -12.233
  850    HA   TRP 172           HA       TRP 172   8.320 -11.347 -11.347
  851   1HB   TRP 172          1HB       TRP 172   8.867 -12.730 -12.730
  852   2HB   TRP 172          2HB       TRP 172   7.337 -11.867 -11.867
  853    HD1  TRP 172           HD1      TRP 172   5.422 -12.959 -12.959
  854    HE1  TRP 172           HE1      TRP 172   5.165 -15.191 -15.191
  855    HE3  TRP 172           HE3      TRP 172  10.306 -14.463 -14.463
  856    HZ2  TRP 172          2HZ       TRP 172   6.814 -17.310 -17.310
  857    HZ3  TRP 172           HZ3      TRP 172  10.883 -16.606 -16.606
  858    HH2  TRP 172           HH2      TRP 172   9.172 -18.000 -18.000
  859    H    MET 173           H        MET 173   8.809  -9.075  -9.075
  860    HA   MET 173           HA       MET 173   8.829  -7.477  -7.477
  861   1HB   MET 173          2HB       MET 173  10.556  -6.966  -6.966
  862   2HB   MET 173          1HB       MET 173   9.400  -6.865  -6.865
  863   1HG   MET 173          2HG       MET 173   9.099  -4.728  -4.728
  864   2HG   MET 173          1HG       MET 173   8.652  -5.043  -5.043
  865   1HE   MET 173          1HE       MET 173  10.611  -6.163  -6.163
  866   2HE   MET 173          3HE       MET 173  12.209  -5.432  -5.432
  867   3HE   MET 173          2HE       MET 173  10.790  -4.588  -4.588
  868    H    CYS 174           H        CYS 174   7.268  -6.151  -6.151
  869    HA   CYS 174           HA       CYS 174   4.786  -6.079  -6.079
  870   1HB   CYS 174          2HB       CYS 174   5.452  -6.078  -6.078
  871   2HB   CYS 174          1HB       CYS 174   4.175  -4.955  -4.955
  872    HG   CYS 174           HG       CYS 174   3.137  -7.274  -7.274
  873    H    HIS 175           H        HIS 175   3.552  -3.939  -3.939
  874    HA   HIS 175           HA       HIS 175   5.298  -1.625  -1.625
  875   1HB   HIS 175          2HB       HIS 175   3.668  -2.127  -2.127
  876   2HB   HIS 175          1HB       HIS 175   4.691  -0.735  -0.735
  877    HD1  HIS 175           HD1      HIS 175   7.124  -0.934  -0.934
  878    HD2  HIS 175           HD2      HIS 175   5.126  -4.576  -4.576
  879    HE1  HIS 175           HE1      HIS 175   8.713  -2.613  -2.613
  880    H    GLY 176           H        GLY 176   4.301  -0.109  -0.109
  881   1HA   GLY 176          1HA       GLY 176   1.362  -0.166  -0.166
  882   2HA   GLY 176          2HA       GLY 176   2.433   0.572   0.572
  883    H    PHE 177           H        PHE 177   0.339   1.193   1.193
  884    HA   PHE 177           HA       PHE 177   1.674   3.703   3.703
  885   1HB   PHE 177          1HB       PHE 177  -0.209   1.882   1.882
  886   2HB   PHE 177          2HB       PHE 177  -0.421   3.603   3.603
  887    HD1  PHE 177           HD2      PHE 177   1.425   4.917   4.917
  888    HD2  PHE 177           HD1      PHE 177   1.624   0.685   0.685
  889    HE1  PHE 177           HE2      PHE 177   3.263   4.861   4.861
  890    HE2  PHE 177           HE1      PHE 177   3.463   0.620   0.620
  891    HZ   PHE 177           HZ       PHE 177   4.286   2.710   2.710
  892    H    LEU 178           H        LEU 178   0.655   5.673   5.673
  893    HA   LEU 178           HA       LEU 178  -2.003   5.822   5.822
  894   1HB   LEU 178          2HB       LEU 178  -0.439   5.769   5.769
  895   2HB   LEU 178          1HB       LEU 178   0.398   7.162   7.162
  896    HG   LEU 178           HG       LEU 178  -1.280   7.529   7.529
  897   1HD1  LEU 178          2HD1      LEU 178  -0.505   9.101   9.101
  898   2HD1  LEU 178          1HD1      LEU 178  -2.202   9.448   9.448
  899   3HD1  LEU 178          3HD1      LEU 178  -0.998   9.637   9.637
  900   1HD2  LEU 178          2HD2      LEU 178  -3.039   6.128   6.128
  901   2HD2  LEU 178          1HD2      LEU 178  -3.561   7.638   7.638
  902   3HD2  LEU 178          3HD2      LEU 178  -3.299   7.558   7.558
  903    H    ALA 179           H        ALA 179  -3.025   7.054   7.054
  904    HA   ALA 179           HA       ALA 179  -2.055   8.642   8.642
  905   1HB   ALA 179          3HB       ALA 179  -4.592   8.823   8.823
  906   2HB   ALA 179          2HB       ALA 179  -4.234  10.004  10.004
  907   3HB   ALA 179          1HB       ALA 179  -4.334   8.289   8.289
  908    H    CYS 180           H        CYS 180  -1.469  10.758  10.758
  909    HA   CYS 180           HA       CYS 180  -0.238  12.085  12.085
  910   1HB   CYS 180          1HB       CYS 180   0.722  12.185  12.185
  911   2HB   CYS 180          2HB       CYS 180  -0.716  13.014  13.014
  912    HG   CYS 180           HG       CYS 180  -0.016  15.108  15.108
  913    H    LYS 181           H        LYS 181  -3.019  12.833  12.833
  914    HA   LYS 181           HA       LYS 181  -3.729  15.158  15.158
  915   1HB   LYS 181          1HB       LYS 181  -5.570  13.786  13.786
  916   2HB   LYS 181          2HB       LYS 181  -5.445  15.498  15.498
  917   1HG   LYS 181          2HG       LYS 181  -3.464  13.864  13.864
  918   2HG   LYS 181          1HG       LYS 181  -4.584  15.069  15.069
  919   1HD   LYS 181          1HD       LYS 181  -3.408  16.672  16.672
  920   2HD   LYS 181          2HD       LYS 181  -2.124  15.462  15.462
  921   1HE   LYS 181          2HE       LYS 181  -1.340  16.481  16.481
  922   2HE   LYS 181          1HE       LYS 181  -2.732  15.820  15.820
  923   1HZ   LYS 181          1HZ       LYS 181  -3.364  18.215  18.215
  924   2HZ   LYS 181          3HZ       LYS 181  -2.139  18.461  18.461
  925   3HZ   LYS 181          2HZ       LYS 181  -3.632  17.829  17.829
  926    H    ASP 182           H        ASP 182  -4.480  11.780  11.780
  927    HA   ASP 182           HA       ASP 182  -5.701  10.494  10.494
  928   1HB   ASP 182          1HB       ASP 182  -5.017  12.851  12.851
  929   2HB   ASP 182          2HB       ASP 182  -6.601  12.248  12.248
  930    H    SER 183           H        SER 183  -7.277  10.459  10.459
  931    HA   SER 183           HA       SER 183  -9.891  11.041  11.041
  932   1HB   SER 183          2HB       SER 183  -9.296  13.315  13.315
  933   2HB   SER 183          1HB       SER 183  -8.904  12.718  12.718
  934    HG   SER 183           HG       SER 183 -11.418  12.913  12.913
  935    H    GLY 184           H        GLY 184  -8.283   8.844   8.844
  936   1HA   GLY 184          2HA       GLY 184  -8.384   7.199   7.199
  937   2HA   GLY 184          1HA       GLY 184 -10.100   7.332   7.332
  938    H    GLU 185           H        GLU 185  -8.147   9.823   9.823
  939    HA   GLU 185           HA       GLU 185  -9.451   9.240   9.240
  940   1HB   GLU 185          2HB       GLU 185  -9.630  11.698  11.698
  941   2HB   GLU 185          1HB       GLU 185  -9.474  11.913  11.913
  942   1HG   GLU 185          2HG       GLU 185 -11.464  10.611  10.611
  943   2HG   GLU 185          1HG       GLU 185 -11.593  10.242  10.242
  944    H    ARG 186           H        ARG 186  -6.888   8.507   8.507
  945    HA   ARG 186           HA       ARG 186  -5.462  10.145  10.145
  946   1HB   ARG 186          1HB       ARG 186  -4.751  10.038  10.038
  947   2HB   ARG 186          2HB       ARG 186  -3.425   9.929   9.929
  948   1HG   ARG 186          1HG       ARG 186  -3.462  12.169  12.169
  949   2HG   ARG 186          2HG       ARG 186  -4.741  12.028  12.028
  950   1HD   ARG 186          2HD       ARG 186  -6.268  11.767  11.767
  951   2HD   ARG 186          1HD       ARG 186  -4.934  12.607  12.607
  952    HE   ARG 186           HE       ARG 186  -5.436  14.135  14.135
  953   1HH1  ARG 186          2HH1      ARG 186  -7.416  12.893  12.893
  954   2HH1  ARG 186          1HH1      ARG 186  -8.524  14.222  14.222
  955   1HH2  ARG 186          2HH2      ARG 186  -6.890  15.893  15.893
  956   2HH2  ARG 186          1HH2      ARG 186  -8.225  15.930  15.930
  957    H    LEU 187           H        LEU 187  -4.927   7.587   7.587
  958    HA   LEU 187           HA       LEU 187  -4.028   5.853   5.853
  959   1HB   LEU 187          2HB       LEU 187  -2.444   4.822   4.822
  960   2HB   LEU 187          1HB       LEU 187  -1.991   6.333   6.333
  961    HG   LEU 187           HG       LEU 187  -1.531   6.207   6.207
  962   1HD1  LEU 187          1HD2      LEU 187  -2.331   8.315   8.315
  963   2HD1  LEU 187          3HD2      LEU 187  -3.459   8.402   8.402
  964   3HD1  LEU 187          2HD2      LEU 187  -1.722   8.434   8.434
  965   1HD2  LEU 187          1HD1      LEU 187  -3.723   4.969   4.969
  966   2HD2  LEU 187          3HD1      LEU 187  -3.251   6.223   6.223
  967   3HD2  LEU 187          2HD1      LEU 187  -4.488   6.556   6.556
  968    H    SER 188           H        SER 188  -6.310   6.263   6.263
  969    HA   SER 188           HA       SER 188  -6.497   3.534   3.534
  970   1HB   SER 188          2HB       SER 188  -8.390   5.885   5.885
  971   2HB   SER 188          1HB       SER 188  -8.649   4.309   4.309
  972    HG   SER 188           HG       SER 188  -7.532   5.151   5.151
  973    H    HIS 189           H        HIS 189  -8.189   5.650   5.650
  974    HA   HIS 189           HA       HIS 189  -9.766   3.397   3.397
  975   1HB   HIS 189          2HB       HIS 189 -10.459   6.001   6.001
  976   2HB   HIS 189          1HB       HIS 189 -10.056   6.031   6.031
  977    HD1  HIS 189           HD1      HIS 189 -11.538   4.490   4.490
  978    HD2  HIS 189           HD2      HIS 189 -12.828   4.796   4.796
  979    HE1  HIS 189           HE1      HIS 189 -13.914   3.623   3.623
  980    H    ALA 190           H        ALA 190  -6.941   5.201   5.201
  981    HA   ALA 190           HA       ALA 190  -6.941   4.710   4.710
  982   1HB   ALA 190          1HB       ALA 190  -5.090   5.951   5.951
  983   2HB   ALA 190          3HB       ALA 190  -4.400   5.338   5.338
  984   3HB   ALA 190          2HB       ALA 190  -5.677   6.555   6.555
  985    H    VAL 191           H        VAL 191  -4.756   3.604   3.604
  986    HA   VAL 191           HA       VAL 191  -3.369   1.695   1.695
  987    HB   VAL 191           HB       VAL 191  -4.238   1.447   1.447
  988   1HG1  VAL 191          1HG2      VAL 191  -2.076   0.126   0.126
  989   2HG1  VAL 191          3HG2      VAL 191  -2.043   0.186   0.186
  990   3HG1  VAL 191          2HG2      VAL 191  -3.366  -0.635  -0.635
  991   1HG2  VAL 191          1HG1      VAL 191  -2.874   3.535   3.535
  992   2HG2  VAL 191          3HG1      VAL 191  -2.641   2.920   2.920
  993   3HG2  VAL 191          2HG1      VAL 191  -1.545   2.430   2.430
  994    H    GLY 192           H        GLY 192  -6.447   1.265   1.265
  995   1HA   GLY 192          1HA       GLY 192  -6.773  -1.478  -1.478
  996   2HA   GLY 192          2HA       GLY 192  -8.080  -0.338  -0.338
  997    H    CYS 193           H        CYS 193  -7.114   1.276   1.276
  998    HA   CYS 193           HA       CYS 193  -8.638  -0.165  -0.165
  999   1HB   CYS 193          1HB       CYS 193  -7.504   2.627   2.627
 1000   2HB   CYS 193          2HB       CYS 193  -8.183   1.987   1.987
 1001    HG   CYS 193           HG       CYS 193 -10.441   1.647   1.647
 1002    H    ALA 194           H        ALA 194  -5.340   0.750   0.750
 1003    HA   ALA 194           HA       ALA 194  -4.139   0.450   0.450
 1004   1HB   ALA 194          3HB       ALA 194  -3.176   1.057   1.057
 1005   2HB   ALA 194          2HB       ALA 194  -2.745  -0.653  -0.653
 1006   3HB   ALA 194          1HB       ALA 194  -2.140   0.400   0.400
 1007    H    PHE 195           H        PHE 195  -4.996  -2.021  -2.021
 1008    HA   PHE 195           HA       PHE 195  -3.856  -4.216  -4.216
 1009   1HB   PHE 195          1HB       PHE 195  -6.014  -3.978  -3.978
 1010   2HB   PHE 195          2HB       PHE 195  -5.551  -5.537  -5.537
 1011    HD1  PHE 195           HD1      PHE 195  -4.203  -2.575  -2.575
 1012    HD2  PHE 195           HD2      PHE 195  -3.713  -6.697  -6.697
 1013    HE1  PHE 195           HE1      PHE 195  -2.356  -2.717  -2.717
 1014    HE2  PHE 195           HE2      PHE 195  -1.864  -6.848  -6.848
 1015    HZ   PHE 195           HZ       PHE 195  -1.183  -4.856  -4.856
 1016    H    ALA 196           H        ALA 196  -6.822  -2.470  -2.470
 1017    HA   ALA 196           HA       ALA 196  -8.565  -4.192  -4.192
 1018   1HB   ALA 196          3HB       ALA 196  -8.792  -1.680  -1.680
 1019   2HB   ALA 196          2HB       ALA 196  -8.026  -1.522  -1.522
 1020   3HB   ALA 196          1HB       ALA 196  -9.560  -2.377  -2.377
 1021    H    VAL 197           H        VAL 197  -5.750  -2.765  -2.765
 1022    HA   VAL 197           HA       VAL 197  -6.294  -3.944  -3.944
 1023    HB   VAL 197           HB       VAL 197  -3.769  -3.445  -3.445
 1024   1HG1  VAL 197          3HG1      VAL 197  -5.735  -2.197  -2.197
 1025   2HG1  VAL 197          2HG1      VAL 197  -5.595  -1.110  -1.110
 1026   3HG1  VAL 197          1HG1      VAL 197  -4.270  -1.243  -1.243
 1027   1HG2  VAL 197          3HG2      VAL 197  -3.409  -3.169  -3.169
 1028   2HG2  VAL 197          2HG2      VAL 197  -2.759  -1.893  -1.893
 1029   3HG2  VAL 197          1HG2      VAL 197  -4.260  -1.630  -1.630
 1030    H    CYS 198           H        CYS 198  -4.449  -4.876  -4.876
 1031    HA   CYS 198           HA       CYS 198  -2.819  -6.875  -6.875
 1032   1HB   CYS 198          2HB       CYS 198  -3.711  -6.066  -6.066
 1033   2HB   CYS 198          1HB       CYS 198  -4.455  -7.657  -7.657
 1034    HG   CYS 198           HG       CYS 198  -1.737  -8.275  -8.275
 1035    H    LEU 199           H        LEU 199  -6.306  -7.165  -7.165
 1036    HA   LEU 199           HA       LEU 199  -6.273  -9.748  -9.748
 1037   1HB   LEU 199          2HB       LEU 199  -8.710  -9.784  -9.784
 1038   2HB   LEU 199          1HB       LEU 199  -7.330 -10.273 -10.273
 1039    HG   LEU 199           HG       LEU 199  -8.424  -7.471  -7.471
 1040   1HD1  LEU 199          2HD2      LEU 199 -10.123  -9.315  -9.315
 1041   2HD1  LEU 199          1HD2      LEU 199  -9.144  -9.632  -9.632
 1042   3HD1  LEU 199          3HD2      LEU 199  -9.887  -8.048  -8.048
 1043   1HD2  LEU 199          3HD1      LEU 199  -6.291  -8.948  -8.948
 1044   2HD2  LEU 199          2HD1      LEU 199  -6.603  -7.212  -7.212
 1045   3HD2  LEU 199          1HD1      LEU 199  -7.410  -8.221  -8.221
 1046    H    GLU 200           H        GLU 200  -7.465  -6.499  -6.499
 1047    HA   GLU 200           HA       GLU 200  -8.348  -5.235  -5.235
 1048   1HB   GLU 200          2HB       GLU 200  -6.866  -6.667  -6.667
 1049   2HB   GLU 200          1HB       GLU 200  -8.263  -7.694  -7.694
 1050   1HG   GLU 200          1HG       GLU 200  -9.443  -5.623  -5.623
 1051   2HG   GLU 200          2HG       GLU 200  -7.868  -4.830  -4.830
 1052    H    ARG 201           H        ARG 201  -9.748  -8.481  -8.481
 1053    HA   ARG 201           HA       ARG 201 -12.379  -7.275  -7.275
 1054   1HB   ARG 201          1HB       ARG 201 -11.088  -9.719  -9.719
 1055   2HB   ARG 201          2HB       ARG 201 -12.657 -10.049 -10.049
 1056   1HG   ARG 201          2HG       ARG 201 -13.790  -8.771  -8.771
 1057   2HG   ARG 201          1HG       ARG 201 -12.324  -7.921  -7.921
 1058   1HD   ARG 201          2HD       ARG 201 -12.179  -9.379  -9.379
 1059   2HD   ARG 201          1HD       ARG 201 -11.746 -10.589 -10.589
 1060    HE   ARG 201           HE       ARG 201 -14.583 -10.236 -10.236
 1061   1HH1  ARG 201          1HH2      ARG 201 -11.728 -11.928 -11.928
 1062   2HH1  ARG 201          2HH2      ARG 201 -12.606 -13.277 -13.277
 1063   1HH2  ARG 201          1HH1      ARG 201 -15.749 -12.006 -12.006
 1064   2HH2  ARG 201          2HH1      ARG 201 -14.894 -13.321 -13.321
 1065    H    LYS 202           H        LYS 202 -11.069  -7.337  -7.337
 1066    HA   LYS 202           HA       LYS 202 -11.480  -7.944  -7.944
 1067   1HB   LYS 202          1HB       LYS 202 -14.361  -8.161  -8.161
 1068   2HB   LYS 202          2HB       LYS 202 -13.722  -7.629  -7.629
 1069   1HG   LYS 202          2HG       LYS 202 -13.585  -6.150  -6.150
 1070   2HG   LYS 202          1HG       LYS 202 -14.554  -5.731  -5.731
 1071   1HD   LYS 202          1HD       LYS 202 -11.564  -5.945  -5.945
 1072   2HD   LYS 202          2HD       LYS 202 -12.358  -4.457  -4.457
 1073   1HE   LYS 202          1HE       LYS 202 -13.736  -5.158  -5.158
 1074   2HE   LYS 202          2HE       LYS 202 -12.066  -5.577  -5.577
 1075   1HZ   LYS 202          1HZ       LYS 202 -12.436  -3.000  -3.000
 1076   2HZ   LYS 202          3HZ       LYS 202 -13.093  -3.131  -3.131
 1077   3HZ   LYS 202          2HZ       LYS 202 -11.448  -3.434  -3.434
 1078    H    GLN 203           H        GLN 203 -10.784 -10.093 -10.093
 1079    HA   GLN 203           HA       GLN 203 -12.505 -12.291 -12.291
 1080   1HB   GLN 203          1HB       GLN 203 -11.025 -11.740 -11.740
 1081   2HB   GLN 203          2HB       GLN 203 -10.506 -13.275 -13.275
 1082   1HG   GLN 203          2HG       GLN 203 -13.065 -13.734 -13.734
 1083   2HG   GLN 203          1HG       GLN 203 -13.176 -12.474 -12.474
 1084   1HE2  GLN 203          2HE2      GLN 203 -12.221 -14.529 -14.529
 1085   2HE2  GLN 203          1HE2      GLN 203 -12.821 -13.003 -13.003
 1086    H    ARG 204           H        ARG 204 -11.559 -12.002 -12.002
 1087    HA   ARG 204           HA       ARG 204  -8.820 -12.912 -12.912
 1088   1HB   ARG 204          1HB       ARG 204 -10.389 -11.223 -11.223
 1089   2HB   ARG 204          2HB       ARG 204 -10.448 -12.705 -12.705
 1090   1HG   ARG 204          1HG       ARG 204  -8.650 -11.316 -11.316
 1091   2HG   ARG 204          2HG       ARG 204  -7.987 -12.763 -12.763
 1092   1HD   ARG 204          1HD       ARG 204  -7.862 -11.288 -11.288
 1093   2HD   ARG 204          2HD       ARG 204  -8.015  -9.943  -9.943
 1094    HE   ARG 204           HE       ARG 204  -5.824 -10.242 -10.242
 1095   1HH1  ARG 204          1HH2      ARG 204  -7.063 -13.256 -13.256
 1096   2HH1  ARG 204          2HH2      ARG 204  -5.532 -14.061 -14.061
 1097   1HH2  ARG 204          1HH1      ARG 204  -3.807 -11.296 -11.296
 1098   2HH2  ARG 204          2HH1      ARG 204  -3.683 -12.949 -12.949
 1099    H    ARG 205           H        ARG 205 -11.777 -13.915 -13.915
 1100    HA   ARG 205           HA       ARG 205 -12.361 -15.968 -15.968
 1101   1HB   ARG 205          1HB       ARG 205 -13.246 -15.958 -15.958
 1102   2HB   ARG 205          2HB       ARG 205 -11.752 -16.685 -16.685
 1103   1HG   ARG 205          1HG       ARG 205 -12.977 -18.204 -18.204
 1104   2HG   ARG 205          2HG       ARG 205 -14.029 -18.025 -18.025
 1105   1HD   ARG 205          1HD       ARG 205 -12.890 -19.632 -19.632
 1106   2HD   ARG 205          2HD       ARG 205 -11.460 -18.598 -18.598
 1107    HE   ARG 205           HE       ARG 205 -10.591 -19.952 -19.952
 1108   1HH1  ARG 205          1HH1      ARG 205 -14.047 -20.376 -20.376
 1109   2HH1  ARG 205          2HH1      ARG 205 -14.038 -21.656 -21.656
 1110   1HH2  ARG 205          2HH2      ARG 205 -10.567 -21.634 -21.634
 1111   2HH2  ARG 205          1HH2      ARG 205 -12.060 -22.371 -22.371
 1112    H    THR 206           H        THR 206 -10.861 -16.627 -16.627
 1113    HA   THR 206           HA       THR 206  -9.282 -18.897 -18.897
 1114    HB   THR 206           HB       THR 206  -7.568 -17.557 -17.557
 1115    HG1  THR 206          1HG       THR 206  -6.897 -18.790 -18.790
 1116   1HG2  THR 206          2HG2      THR 206  -8.634 -15.393 -15.393
 1117   2HG2  THR 206          1HG2      THR 206  -8.029 -15.541 -15.541
 1118   3HG2  THR 206          3HG2      THR 206  -6.897 -15.423 -15.423
 1119    H    ARG 207           H        ARG 207  -9.892 -20.105 -20.105
 1120    HA   ARG 207           HA       ARG 207 -10.451 -19.006 -19.006
 1121   1HB   ARG 207          1HB       ARG 207 -10.083 -21.931 -21.931
 1122   2HB   ARG 207          2HB       ARG 207 -11.050 -21.215 -21.215
 1123   1HG   ARG 207          2HG       ARG 207 -12.611 -20.333 -20.333
 1124   2HG   ARG 207          1HG       ARG 207 -11.625 -20.990 -20.990
 1125   1HD   ARG 207          2HD       ARG 207 -13.025 -22.743 -22.743
 1126   2HD   ARG 207          1HD       ARG 207 -11.997 -23.205 -23.205
 1127    HE   ARG 207           HE       ARG 207 -14.073 -21.488 -21.488
 1128   1HH1  ARG 207          2HH1      ARG 207 -13.469 -24.760 -24.760
 1129   2HH1  ARG 207          1HH1      ARG 207 -14.789 -25.425 -25.425
 1130   1HH2  ARG 207          1HH2      ARG 207 -15.814 -22.354 -22.354
 1131   2HH2  ARG 207          2HH2      ARG 207 -16.122 -24.058 -24.058
 1132    H    ALA 208           H        ALA 208  -9.420 -19.766 -19.766
 1133    HA   ALA 208           HA       ALA 208  -6.647 -19.323 -19.323
 1134   1HB   ALA 208          2HB       ALA 208  -8.459 -20.469 -20.469
 1135   2HB   ALA 208          1HB       ALA 208  -6.757 -20.095 -20.095
 1136   3HB   ALA 208          3HB       ALA 208  -7.887 -18.807 -18.807
 1137    H    ALA 209           H        ALA 209  -5.458 -20.708 -20.708
 1138    HA   ALA 209           HA       ALA 209  -4.700 -23.188 -23.188
 1139   1HB   ALA 209          1HB       ALA 209  -6.664 -23.290 -23.290
 1140   2HB   ALA 209          3HB       ALA 209  -5.516 -24.597 -24.597
 1141   3HB   ALA 209          2HB       ALA 209  -6.695 -24.164 -24.164
 1142    H    ALA 210           H        ALA 210  -5.163 -22.341 -22.341
 1143    HA   ALA 210           HA       ALA 210  -2.236 -22.375 -22.375
 1144   1HB   ALA 210          2HB       ALA 210  -3.691 -24.039 -24.039
 1145   2HB   ALA 210          1HB       ALA 210  -4.224 -22.662 -22.662
 1146   3HB   ALA 210          3HB       ALA 210  -2.521 -23.116 -23.116
 1147   1H    ALA   1          2HT       ALA   1 -11.932  -7.503  -7.503
 1148   2H    ALA   1          1HT       ALA   1 -12.818  -7.331  -7.331
 1149   3H    ALA   1          3HT       ALA   1 -13.634  -7.716  -7.716
 1150    HA   ALA   1           HA       ALA   1 -14.027  -5.489  -5.489
 1151   1HB   ALA   1          3HB       ALA   1 -11.628  -5.562  -5.562
 1152   2HB   ALA   1          2HB       ALA   1 -11.295  -4.512  -4.512
 1153   3HB   ALA   1          1HB       ALA   1 -12.624  -4.135  -4.135
 1154    H    TYR   2           H        TYR   2 -10.855  -5.921  -5.921
 1155    HA   TYR   2           HA       TYR   2 -12.057  -5.751  -5.751
 1156   1HB   TYR   2          1HB       TYR   2 -10.247  -3.744  -3.744
 1157   2HB   TYR   2          2HB       TYR   2 -11.971  -3.505  -3.505
 1158    HD1  TYR   2           HD1      TYR   2  -9.393  -4.408  -4.408
 1159    HD2  TYR   2           HD2      TYR   2 -12.073  -1.444  -1.444
 1160    HE1  TYR   2           HE1      TYR   2  -8.911  -3.021  -3.021
 1161    HE2  TYR   2           HE2      TYR   2 -11.600  -0.045  -0.045
 1162    HH   TYR   2           HH2      TYR   2  -9.907   0.254   0.254
 1163    H    ILE   3           H        ILE   3 -10.911  -7.885  -7.885
 1164    HA   ILE   3           HA       ILE   3  -9.279  -9.320  -9.320
 1165    HB   ILE   3           HB       ILE   3  -8.115  -6.863  -6.863
 1166   1HG1  ILE   3          1HG1      ILE   3  -9.038  -7.966  -7.966
 1167   2HG1  ILE   3          2HG1      ILE   3  -9.836  -9.135  -9.135
 1168   1HG2  ILE   3          1HG2      ILE   3  -7.332  -9.762  -9.762
 1169   2HG2  ILE   3          3HG2      ILE   3  -6.887  -8.561  -8.561
 1170   3HG2  ILE   3          2HG2      ILE   3  -6.321  -8.390  -8.390
 1171   1HD1  ILE   3          3HD1      ILE   3 -10.299  -6.201  -6.201
 1172   2HD1  ILE   3          2HD1      ILE   3 -11.193  -7.149  -7.149
 1173   3HD1  ILE   3          1HD1      ILE   3 -11.303  -7.552  -7.552
 1174    H    GLY   4           H        GLY   4  -7.500  -6.289  -6.289
 1175   1HA   GLY   4          2HA       GLY   4  -5.191  -7.230  -7.230
 1176   2HA   GLY   4          1HA       GLY   4  -5.975  -5.808  -5.808
 1177    HA   PRO   5           HA       PRO   5  -6.729  -7.910  -7.910
 1178   1HB   PRO   5          1HB       PRO   5  -9.276  -7.398  -7.398
 1179   2HB   PRO   5          2HB       PRO   5  -8.066  -6.113  -6.113
 1180   1HG   PRO   5          1HG       PRO   5 -10.134  -6.918  -6.918
 1181   2HG   PRO   5          2HG       PRO   5  -9.685  -5.297  -5.297
 1182   1HD   PRO   5          2HD       PRO   5  -8.759  -6.357  -6.357
 1183   2HD   PRO   5          1HD       PRO   5  -7.828  -5.201  -5.201
 1184   1HN   PTR   6           H        PTR   6  -8.907  -8.784  -8.784
 1185    HA   PTR   6           HA       PTR   6  -8.808 -11.541 -11.541
 1186   1HB   PTR   6          1HB       PTR   6 -11.524 -10.255 -10.255
 1187   2HB   PTR   6          2HB       PTR   6 -10.481 -10.659 -10.659
 1188    HD1  PTR   6           HD1      PTR   6 -10.763 -12.716 -12.716
 1189    HD2  PTR   6           HD2      PTR   6 -12.160 -12.194 -12.194
 1190    HE1  PTR   6           HE1      PTR   6 -11.356 -15.106 -15.106
 1191    HE2  PTR   6           HE2      PTR   6 -13.158 -14.442 -14.442
 1192    H    LEU   7           H        LEU   7  -9.697 -12.885 -12.885
 1193    HA   LEU   7           HA       LEU   7 -10.302 -11.483 -11.483
 1194   1HB   LEU   7          2HB       LEU   7  -9.538 -14.377 -14.377
 1195   2HB   LEU   7          1HB       LEU   7  -9.417 -13.325 -13.325
 1196    HG   LEU   7           HG       LEU   7  -7.213 -13.444 -13.444
 1197   1HD1  LEU   7          1HD1      LEU   7  -8.356 -11.048 -11.048
 1198   2HD1  LEU   7          3HD1      LEU   7  -7.503 -11.394 -11.394
 1199   3HD1  LEU   7          2HD1      LEU   7  -6.619 -11.357 -11.357
 1200   1HD2  LEU   7          3HD2      LEU   7  -7.850 -14.866 -14.866
 1201   2HD2  LEU   7          2HD2      LEU   7  -6.333 -13.969 -13.969
 1202   3HD2  LEU   7          1HD2      LEU   7  -7.749 -13.359 -13.359

  Start of MODEL   14
    1    HA   SER  64           HA       SER  64 -17.010   9.804   9.804
    2   1HB   SER  64          1HB       SER  64 -17.662  10.791  10.791
    3   2HB   SER  64          2HB       SER  64 -18.967  10.595  10.595
    4    HG   SER  64           HG       SER  64 -18.481   8.435   8.435
    5    H    LYS  65           H        LYS  65 -15.961  11.705  11.705
    6    HA   LYS  65           HA       LYS  65 -18.087  13.615  13.615
    7   1HB   LYS  65          2HB       LYS  65 -15.298  14.508  14.508
    8   2HB   LYS  65          1HB       LYS  65 -16.516  15.560  15.560
    9   1HG   LYS  65          1HG       LYS  65 -17.943  14.715  14.715
   10   2HG   LYS  65          2HG       LYS  65 -16.346  14.418  14.418
   11   1HD   LYS  65          1HD       LYS  65 -16.074  16.927  16.927
   12   2HD   LYS  65          2HD       LYS  65 -17.738  16.939  16.939
   13   1HE   LYS  65          2HE       LYS  65 -17.021  17.204  17.204
   14   2HE   LYS  65          1HE       LYS  65 -16.092  15.710  15.710
   15   1HZ   LYS  65          2HZ       LYS  65 -15.119  18.352  18.352
   16   2HZ   LYS  65          1HZ       LYS  65 -14.742  17.679  17.679
   17   3HZ   LYS  65          3HZ       LYS  65 -14.230  16.916  16.916
   18    HA   PRO  66           HA       PRO  66 -16.545  12.991  12.991
   19   1HB   PRO  66          1HB       PRO  66 -18.133  14.662  14.662
   20   2HB   PRO  66          2HB       PRO  66 -18.803  13.262  13.262
   21   1HG   PRO  66          2HG       PRO  66 -18.742  16.136  16.136
   22   2HG   PRO  66          1HG       PRO  66 -20.061  14.959  14.959
   23   1HD   PRO  66          1HD       PRO  66 -18.325  15.635  15.635
   24   2HD   PRO  66          2HD       PRO  66 -19.254  14.125  14.125
   25    H    HIS  67           H        HIS  67 -14.883  14.744  14.744
   26    HA   HIS  67           HA       HIS  67 -13.933  16.499  16.499
   27   1HB   HIS  67          2HB       HIS  67 -15.299  17.789  17.789
   28   2HB   HIS  67          1HB       HIS  67 -14.008  17.426  17.426
   29    HD1  HIS  67           HD1      HIS  67 -12.543  18.010  18.010
   30    HD2  HIS  67           HD2      HIS  67 -13.898  20.370  20.370
   31    HE1  HIS  67           HE1      HIS  67 -11.503  20.291  20.291
   32    H    GLN  68           H        GLN  68 -13.108  15.638  15.638
   33    HA   GLN  68           HA       GLN  68 -10.303  15.464  15.464
   34   1HB   GLN  68          1HB       GLN  68 -11.801  14.789  14.789
   35   2HB   GLN  68          2HB       GLN  68 -10.051  14.768  14.768
   36   1HG   GLN  68          2HG       GLN  68 -10.098  17.169  17.169
   37   2HG   GLN  68          1HG       GLN  68 -11.844  17.169  17.169
   38   1HE2  GLN  68          1HE2      GLN  68  -9.970  18.269  18.269
   39   2HE2  GLN  68          2HE2      GLN  68  -9.870  18.713  18.713
   40    H    TRP  69           H        TRP  69 -12.736  13.167  13.167
   41    HA   TRP  69           HA       TRP  69 -11.187  10.848  10.848
   42   1HB   TRP  69          2HB       TRP  69 -14.071  11.450  11.450
   43   2HB   TRP  69          1HB       TRP  69 -13.685   9.887   9.887
   44    HD1  TRP  69           HD1      TRP  69 -11.330  11.321  11.321
   45    HE1  TRP  69           HE1      TRP  69 -11.472   9.872   9.872
   46    HE3  TRP  69           HE3      TRP  69 -15.304   8.377   8.377
   47    HZ2  TRP  69          2HZ       TRP  69 -13.064   7.760   7.760
   48    HZ3  TRP  69           HZ3      TRP  69 -16.073   6.666   6.666
   49    HH2  TRP  69           HH2      TRP  69 -14.976   6.366   6.366
   50    H    GLN  70           H        GLN  70 -13.319  12.617  12.617
   51    HA   GLN  70           HA       GLN  70 -13.510  10.824  10.824
   52   1HB   GLN  70          1HB       GLN  70 -14.840  12.778  12.778
   53   2HB   GLN  70          2HB       GLN  70 -13.450  13.834  13.834
   54   1HG   GLN  70          1HG       GLN  70 -14.300  13.941  13.941
   55   2HG   GLN  70          2HG       GLN  70 -12.676  13.259  13.259
   56   1HE2  GLN  70          2HE2      GLN  70 -13.755  10.674  10.674
   57   2HE2  GLN  70          1HE2      GLN  70 -12.636  11.954  11.954
   58    H    ALA  71           H        ALA  71 -10.809  12.663  12.663
   59    HA   ALA  71           HA       ALA  71  -9.242  11.829  11.829
   60   1HB   ALA  71          3HB       ALA  71  -8.998  14.221  14.221
   61   2HB   ALA  71          2HB       ALA  71  -7.651  13.668  13.668
   62   3HB   ALA  71          1HB       ALA  71  -9.162  14.166  14.166
   63    H    ASP  72           H        ASP  72  -9.905  10.362  10.362
   64    HA   ASP  72           HA       ASP  72  -7.129   9.741   9.741
   65   1HB   ASP  72          2HB       ASP  72  -9.086  10.882  10.882
   66   2HB   ASP  72          1HB       ASP  72  -8.901   9.205   9.205
   67    H    GLU  73           H        GLU  73 -10.500   8.600   8.600
   68    HA   GLU  73           HA       GLU  73 -10.113   5.950   5.950
   69   1HB   GLU  73          1HB       GLU  73 -12.314   7.116   7.116
   70   2HB   GLU  73          2HB       GLU  73 -12.061   6.948   6.948
   71   1HG   GLU  73          1HG       GLU  73 -11.688   4.393   4.393
   72   2HG   GLU  73          2HG       GLU  73 -13.119   5.063   5.063
   73    H    GLU  74           H        GLU  74  -9.675   7.561   7.561
   74    HA   GLU  74           HA       GLU  74  -9.101   5.113   5.113
   75   1HB   GLU  74          1HB       GLU  74 -10.120   7.213   7.213
   76   2HB   GLU  74          2HB       GLU  74  -8.515   7.924   7.924
   77   1HG   GLU  74          1HG       GLU  74  -7.649   6.482   6.482
   78   2HG   GLU  74          2HG       GLU  74  -8.951   5.312   5.312
   79    H    ALA  75           H        ALA  75  -7.329   7.515   7.515
   80    HA   ALA  75           HA       ALA  75  -4.783   7.305   7.305
   81   1HB   ALA  75          3HB       ALA  75  -5.937   8.397   8.397
   82   2HB   ALA  75          2HB       ALA  75  -4.616   7.368   7.368
   83   3HB   ALA  75          1HB       ALA  75  -4.306   8.655   8.655
   84    H    VAL  76           H        VAL  76  -5.898   5.504   5.504
   85    HA   VAL  76           HA       VAL  76  -3.810   3.724   3.724
   86    HB   VAL  76           HB       VAL  76  -5.574   2.168   2.168
   87   1HG1  VAL  76          3HG2      VAL  76  -5.072   4.941   4.941
   88   2HG1  VAL  76          2HG2      VAL  76  -5.811   3.656   3.656
   89   3HG1  VAL  76          1HG2      VAL  76  -4.162   3.474   3.474
   90   1HG2  VAL  76          1HG1      VAL  76  -7.346   3.715   3.715
   91   2HG2  VAL  76          3HG1      VAL  76  -7.743   2.723   2.723
   92   3HG2  VAL  76          2HG1      VAL  76  -7.400   4.440   4.440
   93    H    ARG  77           H        ARG  77  -6.578   3.694   3.694
   94    HA   ARG  77           HA       ARG  77  -6.372   1.015   1.015
   95   1HB   ARG  77          1HB       ARG  77  -8.038   3.229   3.229
   96   2HB   ARG  77          2HB       ARG  77  -7.367   2.763   2.763
   97   1HG   ARG  77          1HG       ARG  77  -8.717   0.843   0.843
   98   2HG   ARG  77          2HG       ARG  77  -9.542   1.688   1.688
   99   1HD   ARG  77          1HD       ARG  77  -7.166   0.486   0.486
  100   2HD   ARG  77          2HD       ARG  77  -8.071  -0.725  -0.725
  101    HE   ARG  77           HE       ARG  77  -9.877   0.612   0.612
  102   1HH1  ARG  77          2HH2      ARG  77  -7.093  -1.455  -1.455
  103   2HH1  ARG  77          1HH2      ARG  77  -7.611  -2.135  -2.135
  104   1HH2  ARG  77          2HH1      ARG  77 -10.568  -0.277  -0.277
  105   2HH2  ARG  77          1HH1      ARG  77  -9.586  -1.466  -1.466
  106    H    SER  78           H        SER  78  -5.129   4.065   4.065
  107    HA   SER  78           HA       SER  78  -3.563   2.574   2.574
  108   1HB   SER  78          1HB       SER  78  -4.412   5.415   5.415
  109   2HB   SER  78          2HB       SER  78  -2.903   5.104   5.104
  110    HG   SER  78           HG       SER  78  -4.306   4.900   4.900
  111    H    ALA  79           H        ALA  79  -3.019   2.693   2.693
  112    HA   ALA  79           HA       ALA  79  -1.261   2.934   2.934
  113   1HB   ALA  79          3HB       ALA  79  -0.441   1.209   1.209
  114   2HB   ALA  79          2HB       ALA  79   0.365   2.484   2.484
  115   3HB   ALA  79          1HB       ALA  79   0.852   2.147   2.147
  116    H    THR  80           H        THR  80  -1.600   5.151   5.151
  117    HA   THR  80           HA       THR  80   0.639   6.799   6.799
  118    HB   THR  80           HB       THR  80  -0.041   7.180   7.180
  119    HG1  THR  80          1HG       THR  80  -1.105   9.319   9.319
  120   1HG2  THR  80          1HG2      THR  80  -2.339   6.319   6.319
  121   2HG2  THR  80          3HG2      THR  80  -2.814   7.822   7.822
  122   3HG2  THR  80          2HG2      THR  80  -2.233   7.848   7.848
  123    H    CYS  81           H        CYS  81  -0.878   5.980   5.980
  124    HA   CYS  81           HA       CYS  81  -2.238   8.453   8.453
  125   1HB   CYS  81          2HB       CYS  81  -3.087   5.800   5.800
  126   2HB   CYS  81          1HB       CYS  81  -2.560   6.204   6.204
  127    HG   CYS  81           HG       CYS  81  -4.327   8.101   8.101
  128    H    SER  82           H        SER  82  -1.952   9.072   9.072
  129    HA   SER  82           HA       SER  82   0.030   8.070   8.070
  130   1HB   SER  82          2HB       SER  82   1.839   9.731   9.731
  131   2HB   SER  82          1HB       SER  82   1.624   8.713   8.713
  132    HG   SER  82           HG       SER  82   1.000  10.394  10.394
  133    H    PHE  83           H        PHE  83   0.402   9.387   9.387
  134    HA   PHE  83           HA       PHE  83  -0.830  11.956  11.956
  135   1HB   PHE  83          1HB       PHE  83  -2.221   9.518   9.518
  136   2HB   PHE  83          2HB       PHE  83  -2.420  11.092  11.092
  137    HD1  PHE  83           HD2      PHE  83  -3.319  12.998  12.998
  138    HD2  PHE  83           HD1      PHE  83  -3.465   8.935   8.935
  139    HE1  PHE  83           HE2      PHE  83  -5.088  13.564  13.564
  140    HE2  PHE  83           HE1      PHE  83  -5.233   9.493   9.493
  141    HZ   PHE  83           HZ       PHE  83  -6.047  11.810  11.810
  142    H    SER  84           H        SER  84  -0.139  13.036  13.036
  143    HA   SER  84           HA       SER  84   2.184  12.255  12.255
  144   1HB   SER  84          2HB       SER  84   1.093  14.574  14.574
  145   2HB   SER  84          1HB       SER  84   0.142  14.049  14.049
  146    HG   SER  84           HG       SER  84   2.462  15.121  15.121
  147    H    VAL  85           H        VAL  85   2.637  11.439  11.439
  148    HA   VAL  85           HA       VAL  85   0.397  10.249  10.249
  149    HB   VAL  85           HB       VAL  85   2.731   8.471   8.471
  150   1HG1  VAL  85          2HG1      VAL  85  -0.041   8.254   8.254
  151   2HG1  VAL  85          1HG1      VAL  85   0.557   6.910   6.910
  152   3HG1  VAL  85          3HG1      VAL  85   1.411   7.382   7.382
  153   1HG2  VAL  85          2HG2      VAL  85   0.602   9.115   9.115
  154   2HG2  VAL  85          1HG2      VAL  85   2.331   8.867   8.867
  155   3HG2  VAL  85          3HG2      VAL  85   1.277   7.490   7.490
  156    H    LYS  86           H        LYS  86   1.120   9.174   9.174
  157    HA   LYS  86           HA       LYS  86   3.488  10.487  10.487
  158   1HB   LYS  86          2HB       LYS  86   0.707  10.214  10.214
  159   2HB   LYS  86          1HB       LYS  86   2.016  10.062  10.062
  160   1HG   LYS  86          1HG       LYS  86   2.205  12.361  12.361
  161   2HG   LYS  86          2HG       LYS  86   0.859  12.392  12.392
  162   1HD   LYS  86          2HD       LYS  86   2.540  11.877  11.877
  163   2HD   LYS  86          1HD       LYS  86   3.800  12.183  12.183
  164   1HE   LYS  86          1HE       LYS  86   2.896  14.444  14.444
  165   2HE   LYS  86          2HE       LYS  86   1.681  14.132  14.132
  166   1HZ   LYS  86          1HZ       LYS  86   4.564  13.875  13.875
  167   2HZ   LYS  86          3HZ       LYS  86   3.784  15.375  15.375
  168   3HZ   LYS  86          2HZ       LYS  86   3.280  14.099  14.099
  169    H    TYR  87           H        TYR  87   3.815   8.123   8.123
  170    HA   TYR  87           HA       TYR  87   3.340   5.715   5.715
  171   1HB   TYR  87          1HB       TYR  87   5.144   6.692   6.692
  172   2HB   TYR  87          2HB       TYR  87   6.207   6.081   6.081
  173    HD1  TYR  87           HD2      TYR  87   6.169   3.681   3.681
  174    HD2  TYR  87           HD1      TYR  87   3.937   5.212   5.212
  175    HE1  TYR  87           HE2      TYR  87   5.935   1.403   1.403
  176    HE2  TYR  87           HE1      TYR  87   3.697   2.939   2.939
  177    HH   TYR  87           HH2      TYR  87   4.656   0.793   0.793
  178    H    LEU  88           H        LEU  88   4.270   4.319   4.319
  179    HA   LEU  88           HA       LEU  88   5.503   5.709   5.709
  180   1HB   LEU  88          2HB       LEU  88   3.835   3.210   3.210
  181   2HB   LEU  88          1HB       LEU  88   4.741   3.635   3.635
  182    HG   LEU  88           HG       LEU  88   2.645   5.422   5.422
  183   1HD1  LEU  88          3HD1      LEU  88   1.628   3.319   3.319
  184   2HD1  LEU  88          2HD1      LEU  88   2.370   3.470   3.470
  185   3HD1  LEU  88          1HD1      LEU  88   1.150   4.635   4.635
  186   1HD2  LEU  88          1HD2      LEU  88   4.491   5.609   5.609
  187   2HD2  LEU  88          3HD2      LEU  88   3.655   6.879   6.879
  188   3HD2  LEU  88          2HD2      LEU  88   2.815   6.002   6.002
  189    H    GLY  89           H        GLY  89   5.718   2.860   2.860
  190   1HA   GLY  89          2HA       GLY  89   8.134   2.363   2.363
  191   2HA   GLY  89          1HA       GLY  89   8.371   2.286   2.286
  192    H    CYS  90           H        CYS  90   9.106   0.132   0.132
  193    HA   CYS  90           HA       CYS  90   6.897  -1.785  -1.785
  194   1HB   CYS  90          1HB       CYS  90   8.458  -3.322  -3.322
  195   2HB   CYS  90          2HB       CYS  90   7.946  -1.894  -1.894
  196    HG   CYS  90           HG       CYS  90  10.768  -2.062  -2.062
  197    H    VAL  91           H        VAL  91   7.023  -3.607  -3.607
  198    HA   VAL  91           HA       VAL  91   9.313  -3.756  -3.756
  199    HB   VAL  91           HB       VAL  91   6.777  -2.929  -2.929
  200   1HG1  VAL  91          1HG2      VAL  91   6.091  -5.388  -5.388
  201   2HG1  VAL  91          3HG2      VAL  91   7.044  -5.618  -5.618
  202   3HG1  VAL  91          2HG2      VAL  91   5.672  -4.510  -4.510
  203   1HG2  VAL  91          1HG1      VAL  91   9.294  -3.541  -3.541
  204   2HG2  VAL  91          3HG1      VAL  91   8.152  -2.238  -2.238
  205   3HG2  VAL  91          2HG1      VAL  91   7.938  -3.808  -3.808
  206    H    GLU  92           H        GLU  92   9.105  -5.961  -5.961
  207    HA   GLU  92           HA       GLU  92   8.990  -8.036  -8.036
  208   1HB   GLU  92          2HB       GLU  92  10.319  -9.382  -9.382
  209   2HB   GLU  92          1HB       GLU  92  11.049  -7.789  -7.789
  210   1HG   GLU  92          2HG       GLU  92   9.409  -7.470  -7.470
  211   2HG   GLU  92          1HG       GLU  92   9.955  -9.138  -9.138
  212    H    VAL  93           H        VAL  93   7.793  -9.936  -9.936
  213    HA   VAL  93           HA       VAL  93   6.033 -10.199 -10.199
  214    HB   VAL  93           HB       VAL  93   4.054 -10.599 -10.599
  215   1HG1  VAL  93          3HG1      VAL  93   4.432  -8.522  -8.522
  216   2HG1  VAL  93          2HG1      VAL  93   5.144  -7.792  -7.792
  217   3HG1  VAL  93          1HG1      VAL  93   3.450  -8.287  -8.287
  218   1HG2  VAL  93          1HG2      VAL  93   5.556 -10.789 -10.789
  219   2HG2  VAL  93          3HG2      VAL  93   4.040  -9.902  -9.902
  220   3HG2  VAL  93          2HG2      VAL  93   5.561  -9.026  -9.026
  221    H    PHE  94           H        PHE  94   4.763 -12.273 -12.273
  222    HA   PHE  94           HA       PHE  94   6.546 -14.378 -14.378
  223   1HB   PHE  94          2HB       PHE  94   4.695 -14.054 -14.054
  224   2HB   PHE  94          1HB       PHE  94   4.427 -15.573 -15.573
  225    HD1  PHE  94           HD1      PHE  94   7.565 -13.691 -13.691
  226    HD2  PHE  94           HD2      PHE  94   5.312 -17.243 -17.243
  227    HE1  PHE  94           HE1      PHE  94   9.481 -14.689 -14.689
  228    HE2  PHE  94           HE2      PHE  94   7.223 -18.248 -18.248
  229    HZ   PHE  94           HZ       PHE  94   9.312 -16.970 -16.970
  230    H    GLU  95           H        GLU  95   4.590 -12.799 -12.799
  231    HA   GLU  95           HA       GLU  95   3.783 -14.982 -14.982
  232   1HB   GLU  95          1HB       GLU  95   1.717 -13.581 -13.581
  233   2HB   GLU  95          2HB       GLU  95   1.295 -14.199 -14.199
  234   1HG   GLU  95          1HG       GLU  95   2.496 -16.365 -16.365
  235   2HG   GLU  95          2HG       GLU  95   1.839 -15.633 -15.633
  236    H    SER  96           H        SER  96   3.073 -14.331 -14.331
  237    HA   SER  96           HA       SER  96   3.163 -11.435 -11.435
  238   1HB   SER  96          1HB       SER  96   4.330 -11.852 -11.852
  239   2HB   SER  96          2HB       SER  96   5.259 -12.498 -12.498
  240    HG   SER  96           HG       SER  96   4.219 -14.559 -14.559
  241    H    ARG  97           H        ARG  97   0.987 -13.534 -13.534
  242    HA   ARG  97           HA       ARG  97  -0.631 -12.622 -12.622
  243   1HB   ARG  97          2HB       ARG  97  -1.390 -15.161 -15.161
  244   2HB   ARG  97          1HB       ARG  97  -0.087 -14.505 -14.505
  245   1HG   ARG  97          2HG       ARG  97   1.501 -15.350 -15.350
  246   2HG   ARG  97          1HG       ARG  97   0.127 -16.202 -16.202
  247   1HD   ARG  97          2HD       ARG  97   0.346 -16.643 -16.643
  248   2HD   ARG  97          1HD       ARG  97   1.800 -17.141 -17.141
  249    HE   ARG  97           HE       ARG  97  -0.238 -18.210 -18.210
  250   1HH1  ARG  97          1HH1      ARG  97   0.082 -19.954 -19.954
  251   2HH1  ARG  97          2HH1      ARG  97   0.716 -18.362 -18.362
  252   1HH2  ARG  97          1HH2      ARG  97  -1.077 -20.308 -20.308
  253   2HH2  ARG  97          2HH2      ARG  97  -0.938 -21.061 -21.061
  254    H    GLY  98           H        GLY  98  -1.483 -11.560 -11.560
  255   1HA   GLY  98          1HA       GLY  98  -3.781 -12.996 -12.996
  256   2HA   GLY  98          2HA       GLY  98  -2.577 -12.744 -12.744
  257    H    MET  99           H        MET  99  -5.323 -11.514 -11.514
  258    HA   MET  99           HA       MET  99  -4.920  -8.763  -8.763
  259   1HB   MET  99          2HB       MET  99  -7.009 -10.177 -10.177
  260   2HB   MET  99          1HB       MET  99  -7.452  -9.956  -9.956
  261   1HG   MET  99          1HG       MET  99  -6.725  -7.540  -7.540
  262   2HG   MET  99          2HG       MET  99  -8.264  -8.318  -8.318
  263   1HE   MET  99          1HE       MET  99  -7.442  -5.372  -5.372
  264   2HE   MET  99          3HE       MET  99  -7.859  -5.136  -5.136
  265   3HE   MET  99          2HE       MET  99  -6.358  -5.959  -5.959
  266    H    GLN 100           H        GLN 100  -5.156 -10.869 -10.869
  267    HA   GLN 100           HA       GLN 100  -5.643  -8.752  -8.752
  268   1HB   GLN 100          2HB       GLN 100  -5.557 -11.650 -11.650
  269   2HB   GLN 100          1HB       GLN 100  -4.684 -10.971 -10.971
  270   1HG   GLN 100          2HG       GLN 100  -7.082  -9.524  -9.524
  271   2HG   GLN 100          1HG       GLN 100  -7.500 -11.226 -11.226
  272   1HE2  GLN 100          1HE2      GLN 100  -5.631 -10.125 -10.125
  273   2HE2  GLN 100          2HE2      GLN 100  -5.182  -9.400  -9.400
  274    H    VAL 101           H        VAL 101  -2.887 -10.364 -10.364
  275    HA   VAL 101           HA       VAL 101  -0.959  -9.727  -9.727
  276    HB   VAL 101           HB       VAL 101  -0.551 -10.006 -10.006
  277   1HG1  VAL 101          1HG1      VAL 101   1.378 -10.104 -10.104
  278   2HG1  VAL 101          3HG1      VAL 101   1.769 -10.629 -10.629
  279   3HG1  VAL 101          2HG1      VAL 101   1.354  -8.943  -8.943
  280   1HG2  VAL 101          2HG2      VAL 101  -1.549 -11.917 -11.917
  281   2HG2  VAL 101          1HG2      VAL 101  -0.564 -12.247 -12.247
  282   3HG2  VAL 101          3HG2      VAL 101   0.183 -12.209 -12.209
  283    H    CYS 102           H        CYS 102  -1.956  -8.004  -8.004
  284    HA   CYS 102           HA       CYS 102  -0.191  -5.836  -5.836
  285   1HB   CYS 102          2HB       CYS 102  -2.760  -6.318  -6.318
  286   2HB   CYS 102          1HB       CYS 102  -2.176  -4.662  -4.662
  287    HG   CYS 102           HG       CYS 102   0.034  -6.342  -6.342
  288    H    GLU 103           H        GLU 103  -3.392  -6.429  -6.429
  289    HA   GLU 103           HA       GLU 103  -3.917  -3.865  -3.865
  290   1HB   GLU 103          2HB       GLU 103  -4.832  -6.621  -6.621
  291   2HB   GLU 103          1HB       GLU 103  -5.229  -5.287  -5.287
  292   1HG   GLU 103          2HG       GLU 103  -6.548  -4.229  -4.229
  293   2HG   GLU 103          1HG       GLU 103  -5.824  -5.129  -5.129
  294    H    GLU 104           H        GLU 104  -2.182  -6.601  -6.601
  295    HA   GLU 104           HA       GLU 104  -1.620  -5.197  -5.197
  296   1HB   GLU 104          1HB       GLU 104  -0.246  -7.163  -7.163
  297   2HB   GLU 104          2HB       GLU 104  -1.859  -7.626  -7.626
  298   1HG   GLU 104          1HG       GLU 104  -1.075  -8.365  -8.365
  299   2HG   GLU 104          2HG       GLU 104   0.490  -7.587  -7.587
  300    H    ALA 105           H        ALA 105   0.024  -5.893  -5.893
  301    HA   ALA 105           HA       ALA 105   2.628  -5.180  -5.180
  302   1HB   ALA 105          2HB       ALA 105   1.761  -6.173  -6.173
  303   2HB   ALA 105          1HB       ALA 105   1.384  -4.517  -4.517
  304   3HB   ALA 105          3HB       ALA 105   3.051  -4.976  -4.976
  305    H    LEU 106           H        LEU 106   0.061  -3.119  -3.119
  306    HA   LEU 106           HA       LEU 106   1.342  -0.706  -0.706
  307   1HB   LEU 106          1HB       LEU 106  -1.324  -1.621  -1.621
  308   2HB   LEU 106          2HB       LEU 106  -1.281  -0.298  -0.298
  309    HG   LEU 106           HG       LEU 106  -1.826   0.707   0.707
  310   1HD1  LEU 106          3HD1      LEU 106   0.397   1.464   1.464
  311   2HD1  LEU 106          2HD1      LEU 106   1.069   1.167   1.167
  312   3HD1  LEU 106          1HD1      LEU 106  -0.253   2.318   2.318
  313   1HD2  LEU 106          1HD2      LEU 106   0.289  -1.058  -1.058
  314   2HD2  LEU 106          3HD2      LEU 106  -1.444  -1.050  -1.050
  315   3HD2  LEU 106          2HD2      LEU 106  -0.438   0.302   0.302
  316    H    LYS 107           H        LYS 107  -0.248  -2.135  -2.135
  317    HA   LYS 107           HA       LYS 107   0.162  -0.026  -0.026
  318   1HB   LYS 107          1HB       LYS 107  -1.324  -1.795  -1.795
  319   2HB   LYS 107          2HB       LYS 107  -0.063  -3.006  -3.006
  320   1HG   LYS 107          2HG       LYS 107   0.439  -0.877  -0.877
  321   2HG   LYS 107          1HG       LYS 107  -0.841  -2.032  -2.032
  322   1HD   LYS 107          2HD       LYS 107   1.388  -3.478  -3.478
  323   2HD   LYS 107          1HD       LYS 107   1.970  -2.365  -2.365
  324   1HE   LYS 107          2HE       LYS 107  -0.012  -3.236  -3.236
  325   2HE   LYS 107          1HE       LYS 107  -0.048  -4.567  -4.567
  326   1HZ   LYS 107          2HZ       LYS 107   2.539  -4.517  -4.517
  327   2HZ   LYS 107          1HZ       LYS 107   1.884  -3.977  -3.977
  328   3HZ   LYS 107          3HZ       LYS 107   1.405  -5.466  -5.466
  329    H    VAL 108           H        VAL 108   2.218  -2.777  -2.777
  330    HA   VAL 108           HA       VAL 108   4.257  -2.387  -2.387
  331    HB   VAL 108           HB       VAL 108   4.639  -3.371  -3.371
  332   1HG1  VAL 108          1HG1      VAL 108   6.196  -3.730  -3.730
  333   2HG1  VAL 108          3HG1      VAL 108   6.420  -4.757  -4.757
  334   3HG1  VAL 108          2HG1      VAL 108   6.744  -3.026  -3.026
  335   1HG2  VAL 108          2HG2      VAL 108   3.161  -4.523  -4.523
  336   2HG2  VAL 108          1HG2      VAL 108   3.192  -4.987  -4.987
  337   3HG2  VAL 108          3HG2      VAL 108   4.432  -5.588  -5.588
  338    H    LEU 109           H        LEU 109   3.905  -1.104  -1.104
  339    HA   LEU 109           HA       LEU 109   6.299   0.265   0.265
  340   1HB   LEU 109          1HB       LEU 109   3.561   0.838   0.838
  341   2HB   LEU 109          2HB       LEU 109   4.936   1.856   1.856
  342    HG   LEU 109           HG       LEU 109   4.782   0.387   0.387
  343   1HD1  LEU 109          2HD2      LEU 109   7.053   0.544   0.544
  344   2HD1  LEU 109          1HD2      LEU 109   6.729  -1.053  -1.053
  345   3HD1  LEU 109          3HD2      LEU 109   6.800  -0.836  -0.836
  346   1HD2  LEU 109          3HD1      LEU 109   3.209  -1.166  -1.166
  347   2HD2  LEU 109          2HD1      LEU 109   4.201  -1.855  -1.855
  348   3HD2  LEU 109          1HD1      LEU 109   4.683  -2.048  -2.048
  349    H    ARG 110           H        ARG 110   3.550   0.975   0.975
  350    HA   ARG 110           HA       ARG 110   4.360   3.729   3.729
  351   1HB   ARG 110          2HB       ARG 110   1.919   2.463   2.463
  352   2HB   ARG 110          1HB       ARG 110   2.269   2.613   2.613
  353   1HG   ARG 110          1HG       ARG 110   2.120   4.880   4.880
  354   2HG   ARG 110          2HG       ARG 110   2.663   5.011   5.011
  355   1HD   ARG 110          1HD       ARG 110   0.189   3.590   3.590
  356   2HD   ARG 110          2HD       ARG 110   0.020   5.080   5.080
  357    HE   ARG 110           HE       ARG 110   0.374   4.832   4.832
  358   1HH1  ARG 110          1HH1      ARG 110   0.697   6.915   6.915
  359   2HH1  ARG 110          2HH1      ARG 110   0.622   8.376   8.376
  360   1HH2  ARG 110          1HH2      ARG 110   0.275   6.752   6.752
  361   2HH2  ARG 110          2HH2      ARG 110   0.382   8.284   8.284
  362    H    GLN 111           H        GLN 111   3.696   0.900   0.900
  363    HA   GLN 111           HA       GLN 111   4.766   1.895   1.895
  364   1HB   GLN 111          2HB       GLN 111   4.927  -0.396  -0.396
  365   2HB   GLN 111          1HB       GLN 111   3.460  -0.202  -0.202
  366   1HG   GLN 111          2HG       GLN 111   4.066  -1.888  -1.888
  367   2HG   GLN 111          1HG       GLN 111   5.503  -0.995  -0.995
  368   1HE2  GLN 111          2HE2      GLN 111   6.181  -4.339  -4.339
  369   2HE2  GLN 111          1HE2      GLN 111   4.943  -3.889  -3.889
  370    H    SER 112           H        SER 112   6.400   0.542   0.542
  371    HA   SER 112           HA       SER 112   8.953   0.386   0.386
  372   1HB   SER 112          1HB       SER 112   7.841  -0.793  -0.793
  373   2HB   SER 112          2HB       SER 112   9.150   0.229   0.229
  374    HG   SER 112           HG       SER 112   9.302  -2.137  -2.137
  375    H    ARG 113           H        ARG 113  10.764   1.288   1.288
  376    HA   ARG 113           HA       ARG 113  10.281   4.182   4.182
  377   1HB   ARG 113          2HB       ARG 113  12.832   4.195   4.195
  378   2HB   ARG 113          1HB       ARG 113  12.291   3.875   3.875
  379   1HG   ARG 113          2HG       ARG 113  14.065   2.365   2.365
  380   2HG   ARG 113          1HG       ARG 113  12.561   1.462   1.462
  381   1HD   ARG 113          2HD       ARG 113  12.597   0.787   0.787
  382   2HD   ARG 113          1HD       ARG 113  13.004   2.399   2.399
  383    HE   ARG 113           HE       ARG 113  15.217   1.803   1.803
  384   1HH1  ARG 113          1HH1      ARG 113  13.408  -0.572  -0.572
  385   2HH1  ARG 113          2HH1      ARG 113  14.728  -1.687  -1.687
  386   1HH2  ARG 113          1HH2      ARG 113  16.963   0.342   0.342
  387   2HH2  ARG 113          2HH2      ARG 113  16.750  -1.168  -1.168
  388    H    ARG 114           H        ARG 114   9.242   2.263   2.263
  389    HA   ARG 114           HA       ARG 114  10.658   2.504   2.504
  390   1HB   ARG 114          2HB       ARG 114   7.754   1.953   1.953
  391   2HB   ARG 114          1HB       ARG 114   8.415   1.911   1.911
  392   1HG   ARG 114          2HG       ARG 114   9.538   0.240   0.240
  393   2HG   ARG 114          1HG       ARG 114   8.199  -0.307  -0.307
  394   1HD   ARG 114          1HD       ARG 114   9.517  -0.633  -0.633
  395   2HD   ARG 114          2HD       ARG 114  10.548   0.748   0.748
  396    HE   ARG 114           HE       ARG 114  10.984  -1.296  -1.296
  397   1HH1  ARG 114          1HH1      ARG 114  11.581  -0.518  -0.518
  398   2HH1  ARG 114          2HH1      ARG 114  13.017  -1.482  -1.482
  399   1HH2  ARG 114          2HH2      ARG 114  12.871  -2.569  -2.569
  400   2HH2  ARG 114          1HH2      ARG 114  13.749  -2.648  -2.648
  401    H    ARG 115           H        ARG 115  11.226   4.792   4.792
  402    HA   ARG 115           HA       ARG 115   9.603   6.961   6.961
  403   1HB   ARG 115          1HB       ARG 115  11.299   8.197   8.197
  404   2HB   ARG 115          2HB       ARG 115  12.111   6.939   6.939
  405   1HG   ARG 115          2HG       ARG 115  11.677   5.756   5.756
  406   2HG   ARG 115          1HG       ARG 115  12.079   7.426   7.426
  407   1HD   ARG 115          2HD       ARG 115  14.186   6.580   6.580
  408   2HD   ARG 115          1HD       ARG 115  13.977   7.005   7.005
  409    HE   ARG 115           HE       ARG 115  14.053   4.783   4.783
  410   1HH1  ARG 115          1HH1      ARG 115  13.374   5.119   5.119
  411   2HH1  ARG 115          2HH1      ARG 115  13.501   3.422   3.422
  412   1HH2  ARG 115          2HH2      ARG 115  14.223   2.547   2.547
  413   2HH2  ARG 115          1HH2      ARG 115  13.984   1.961   1.961
  414    HA   PRO 116           HA       PRO 116   7.106   6.649   6.649
  415   1HB   PRO 116          2HB       PRO 116   5.688   8.894   8.894
  416   2HB   PRO 116          1HB       PRO 116   5.480   7.538   7.538
  417   1HG   PRO 116          1HG       PRO 116   7.029  10.073  10.073
  418   2HG   PRO 116          2HG       PRO 116   5.981   9.227   9.227
  419   1HD   PRO 116          2HD       PRO 116   8.734   9.038   9.038
  420   2HD   PRO 116          1HD       PRO 116   7.654   7.817   7.817
  421    H    VAL 117           H        VAL 117   6.680   7.870   7.870
  422    HA   VAL 117           HA       VAL 117   8.882   9.726   9.726
  423    HB   VAL 117           HB       VAL 117   8.742   7.393   7.393
  424   1HG1  VAL 117          2HG2      VAL 117   6.265   8.196   8.196
  425   2HG1  VAL 117          1HG2      VAL 117   7.214   8.641   8.641
  426   3HG1  VAL 117          3HG2      VAL 117   7.222   6.975   6.975
  427   1HG2  VAL 117          3HG1      VAL 117   9.820   9.875   9.875
  428   2HG2  VAL 117          2HG1      VAL 117  10.337   8.275   8.275
  429   3HG2  VAL 117          1HG1      VAL 117   9.156   9.180   9.180
  430    H    ARG 118           H        ARG 118   8.281  11.040  11.040
  431    HA   ARG 118           HA       ARG 118   5.500  11.835  11.835
  432   1HB   ARG 118          2HB       ARG 118   6.358  13.178  13.178
  433   2HB   ARG 118          1HB       ARG 118   7.653  13.787  13.787
  434   1HG   ARG 118          2HG       ARG 118   6.238  15.137  15.137
  435   2HG   ARG 118          1HG       ARG 118   4.809  14.185  14.185
  436   1HD   ARG 118          1HD       ARG 118   4.385  15.462  15.462
  437   2HD   ARG 118          2HD       ARG 118   6.026  15.248  15.248
  438    HE   ARG 118           HE       ARG 118   6.106  17.105  17.105
  439   1HH1  ARG 118          1HH1      ARG 118   4.834  16.803  16.803
  440   2HH1  ARG 118          2HH1      ARG 118   4.923  18.500  18.500
  441   1HH2  ARG 118          1HH2      ARG 118   6.228  19.344  19.344
  442   2HH2  ARG 118          2HH2      ARG 118   5.717  19.944  19.944
  443    H    GLY 119           H        GLY 119   5.618  11.158  11.158
  444   1HA   GLY 119          2HA       GLY 119   6.882  13.118  13.118
  445   2HA   GLY 119          1HA       GLY 119   7.397  11.448  11.448
  446    H    LEU 120           H        LEU 120   6.589  10.919  10.919
  447    HA   LEU 120           HA       LEU 120   3.679  11.206  11.206
  448   1HB   LEU 120          2HB       LEU 120   5.692  12.332  12.332
  449   2HB   LEU 120          1HB       LEU 120   5.214  10.915  10.915
  450    HG   LEU 120           HG       LEU 120   3.692  13.409  13.409
  451   1HD1  LEU 120          2HD1      LEU 120   4.837  12.198  12.198
  452   2HD1  LEU 120          1HD1      LEU 120   3.103  11.937  11.937
  453   3HD1  LEU 120          3HD1      LEU 120   3.732  13.574  13.574
  454   1HD2  LEU 120          1HD2      LEU 120   2.536  10.741  10.741
  455   2HD2  LEU 120          3HD2      LEU 120   1.882  12.315  12.315
  456   3HD2  LEU 120          2HD2      LEU 120   1.735  11.748  11.748
  457    H    LEU 121           H        LEU 121   2.637   9.324   9.324
  458    HA   LEU 121           HA       LEU 121   4.134   6.876   6.876
  459   1HB   LEU 121          1HB       LEU 121   2.585   6.765   6.765
  460   2HB   LEU 121          2HB       LEU 121   1.292   7.429   7.429
  461    HG   LEU 121           HG       LEU 121   1.039   5.405   5.405
  462   1HD1  LEU 121          1HD1      LEU 121   3.532   5.007   5.007
  463   2HD1  LEU 121          3HD1      LEU 121   3.416   4.228   4.228
  464   3HD1  LEU 121          2HD1      LEU 121   2.524   3.575   3.575
  465   1HD2  LEU 121          2HD2      LEU 121   0.100   5.424   5.424
  466   2HD2  LEU 121          1HD2      LEU 121   0.498   3.805   3.805
  467   3HD2  LEU 121          3HD2      LEU 121   1.560   4.621   4.621
  468    H    HIS 122           H        HIS 122   4.566   6.508   6.508
  469    HA   HIS 122           HA       HIS 122   2.817   7.305   7.305
  470   1HB   HIS 122          2HB       HIS 122   5.248   5.502   5.502
  471   2HB   HIS 122          1HB       HIS 122   4.427   6.105   6.105
  472    HD1  HIS 122           HD1      HIS 122   4.224   8.994   8.994
  473    HD2  HIS 122           HD2      HIS 122   7.435   6.946   6.946
  474    HE1  HIS 122           HE1      HIS 122   6.078  10.691  10.691
  475    H    VAL 123           H        VAL 123   0.956   6.311   6.311
  476    HA   VAL 123           HA       VAL 123   0.846   3.376   3.376
  477    HB   VAL 123           HB       VAL 123  -1.424   5.362   5.362
  478   1HG1  VAL 123          1HG1      VAL 123  -1.974   3.109   3.109
  479   2HG1  VAL 123          3HG1      VAL 123  -1.504   2.406   2.406
  480   3HG1  VAL 123          2HG1      VAL 123  -2.857   3.534   3.534
  481   1HG2  VAL 123          3HG2      VAL 123   0.326   5.138   5.138
  482   2HG2  VAL 123          2HG2      VAL 123  -1.394   5.108   5.108
  483   3HG2  VAL 123          1HG2      VAL 123  -0.479   3.600   3.600
  484    H    SER 124           H        SER 124   1.144   2.553   2.553
  485    HA   SER 124           HA       SER 124  -0.452   3.719   3.719
  486   1HB   SER 124          2HB       SER 124   1.286   3.530   3.530
  487   2HB   SER 124          1HB       SER 124   2.234   3.662   3.662
  488    HG   SER 124           HG       SER 124   2.986   1.894   1.894
  489    H    GLY 125           H        GLY 125  -0.874   1.412   1.412
  490   1HA   GLY 125          2HA       GLY 125  -1.964  -0.603  -0.603
  491   2HA   GLY 125          1HA       GLY 125  -2.411  -0.225  -0.225
  492    H    ASP 126           H        ASP 126   0.950  -0.218  -0.218
  493    HA   ASP 126           HA       ASP 126   1.281  -3.052  -3.052
  494   1HB   ASP 126          2HB       ASP 126   0.878  -1.812  -1.812
  495   2HB   ASP 126          1HB       ASP 126   2.466  -1.095  -1.095
  496    H    GLY 127           H        GLY 127   2.130  -0.724  -0.724
  497   1HA   GLY 127          2HA       GLY 127   4.419  -1.751  -1.751
  498   2HA   GLY 127          1HA       GLY 127   5.002  -0.712  -0.712
  499    H    LEU 128           H        LEU 128   3.676  -0.872  -0.872
  500    HA   LEU 128           HA       LEU 128   3.184   1.949   1.949
  501   1HB   LEU 128          1HB       LEU 128   3.600   0.057   0.057
  502   2HB   LEU 128          2HB       LEU 128   2.605   1.499   1.499
  503    HG   LEU 128           HG       LEU 128   1.881  -0.784  -0.784
  504   1HD1  LEU 128          3HD1      LEU 128   1.932  -0.868  -0.868
  505   2HD1  LEU 128          2HD1      LEU 128   0.395  -1.320  -1.320
  506   3HD1  LEU 128          1HD1      LEU 128   1.871  -2.182  -2.182
  507   1HD2  LEU 128          2HD2      LEU 128   0.728   1.452   1.452
  508   2HD2  LEU 128          1HD2      LEU 128  -0.318   0.054   0.054
  509   3HD2  LEU 128          3HD2      LEU 128   0.158   1.063   1.063
  510    H    ARG 129           H        ARG 129   4.811   3.360   3.360
  511    HA   ARG 129           HA       ARG 129   7.325   2.594   2.594
  512   1HB   ARG 129          1HB       ARG 129   7.175   4.788   4.788
  513   2HB   ARG 129          2HB       ARG 129   8.550   3.792   3.792
  514   1HG   ARG 129          1HG       ARG 129   7.136   1.857   1.857
  515   2HG   ARG 129          2HG       ARG 129   6.293   3.170   3.170
  516   1HD   ARG 129          2HD       ARG 129   7.962   3.432   3.432
  517   2HD   ARG 129          1HD       ARG 129   9.149   3.532   3.532
  518    HE   ARG 129           HE       ARG 129   8.548   0.864   0.864
  519   1HH1  ARG 129          1HH1      ARG 129   9.777   3.343   3.343
  520   2HH1  ARG 129          2HH1      ARG 129  10.712   2.244   2.244
  521   1HH2  ARG 129          1HH2      ARG 129   9.775  -0.593  -0.593
  522   2HH2  ARG 129          2HH2      ARG 129  10.710   0.006   0.006
  523    H    VAL 130           H        VAL 130   6.645   3.345   3.345
  524    HA   VAL 130           HA       VAL 130   5.808   6.075   6.075
  525    HB   VAL 130           HB       VAL 130   4.991   4.419   4.419
  526   1HG1  VAL 130          2HG2      VAL 130   7.717   3.539   3.539
  527   2HG1  VAL 130          1HG2      VAL 130   7.200   3.834   3.834
  528   3HG1  VAL 130          3HG2      VAL 130   6.289   2.724   2.724
  529   1HG2  VAL 130          3HG1      VAL 130   6.118   6.852   6.852
  530   2HG2  VAL 130          2HG1      VAL 130   4.978   5.906   5.906
  531   3HG2  VAL 130          1HG1      VAL 130   6.712   5.729   5.729
  532    H    VAL 131           H        VAL 131   7.338   7.529   7.529
  533    HA   VAL 131           HA       VAL 131  10.072   7.177   7.177
  534    HB   VAL 131           HB       VAL 131   9.000   9.156   9.156
  535   1HG1  VAL 131          1HG1      VAL 131  11.826   8.555   8.555
  536   2HG1  VAL 131          3HG1      VAL 131  11.376   9.590   9.590
  537   3HG1  VAL 131          2HG1      VAL 131  10.934  10.047  10.047
  538   1HG2  VAL 131          3HG2      VAL 131   9.562   6.422   6.422
  539   2HG2  VAL 131          2HG2      VAL 131   9.248   7.600   7.600
  540   3HG2  VAL 131          1HG2      VAL 131  10.903   7.284   7.284
  541    H    ASP 132           H        ASP 132  11.178   8.920   8.920
  542    HA   ASP 132           HA       ASP 132   9.427  10.466  10.466
  543   1HB   ASP 132          1HB       ASP 132  12.292  10.837  10.837
  544   2HB   ASP 132          2HB       ASP 132  11.049  10.308  10.308
  545    H    ASP 133           H        ASP 133   9.329  12.671  12.671
  546    HA   ASP 133           HA       ASP 133  10.398  14.076  14.076
  547   1HB   ASP 133          2HB       ASP 133   8.048  14.414  14.414
  548   2HB   ASP 133          1HB       ASP 133   8.639  15.104  15.104
  549    H    GLU 134           H        GLU 134  11.934  13.201  13.201
  550    HA   GLU 134           HA       GLU 134  13.101  15.825  15.825
  551   1HB   GLU 134          2HB       GLU 134  13.850  14.874  14.874
  552   2HB   GLU 134          1HB       GLU 134  12.118  14.622  14.622
  553   1HG   GLU 134          1HG       GLU 134  12.341  12.433  12.433
  554   2HG   GLU 134          2HG       GLU 134  13.591  12.386  12.386
  555    H    THR 135           H        THR 135  13.710  12.576  12.576
  556    HA   THR 135           HA       THR 135  16.386  13.388  13.388
  557    HB   THR 135           HB       THR 135  17.342  11.270  11.270
  558    HG1  THR 135          1HG       THR 135  16.036   9.942   9.942
  559   1HG2  THR 135          1HG2      THR 135  15.906  12.801  12.801
  560   2HG2  THR 135          3HG2      THR 135  17.076  11.521  11.521
  561   3HG2  THR 135          2HG2      THR 135  17.579  12.975  12.975
  562    H    LYS 136           H        LYS 136  13.500  12.498  12.498
  563    HA   LYS 136           HA       LYS 136  12.630  11.246  11.246
  564   1HB   LYS 136          2HB       LYS 136  14.689  12.990  12.990
  565   2HB   LYS 136          1HB       LYS 136  14.765  11.531  11.531
  566   1HG   LYS 136          2HG       LYS 136  13.340  13.259  13.259
  567   2HG   LYS 136          1HG       LYS 136  12.449  11.782  11.782
  568   1HD   LYS 136          1HD       LYS 136  11.679  12.859  12.859
  569   2HD   LYS 136          2HD       LYS 136  12.438  14.355  14.355
  570   1HE   LYS 136          1HE       LYS 136  10.293  12.862  12.862
  571   2HE   LYS 136          2HE       LYS 136  10.009  14.261  14.261
  572   1HZ   LYS 136          2HZ       LYS 136  11.834  15.293  15.293
  573   2HZ   LYS 136          1HZ       LYS 136  11.251  14.129  14.129
  574   3HZ   LYS 136          3HZ       LYS 136  10.200  15.287  15.287
  575    H    GLY 137           H        GLY 137  13.788   9.532   9.532
  576   1HA   GLY 137          2HA       GLY 137  15.288   7.613   7.613
  577   2HA   GLY 137          1HA       GLY 137  15.214   7.600   7.600
  578    H    LEU 138           H        LEU 138  14.576   5.547   5.547
  579    HA   LEU 138           HA       LEU 138  11.741   5.152   5.152
  580   1HB   LEU 138          1HB       LEU 138  13.225   4.383   4.383
  581   2HB   LEU 138          2HB       LEU 138  13.865   3.162   3.162
  582    HG   LEU 138           HG       LEU 138  11.858   1.949   1.949
  583   1HD1  LEU 138          1HD1      LEU 138  10.494   4.341   4.341
  584   2HD1  LEU 138          3HD1      LEU 138   9.737   2.787   2.787
  585   3HD1  LEU 138          2HD1      LEU 138  10.334   3.798   3.798
  586   1HD2  LEU 138          1HD2      LEU 138  13.136   2.458   2.458
  587   2HD2  LEU 138          3HD2      LEU 138  11.907   1.217   1.217
  588   3HD2  LEU 138          2HD2      LEU 138  11.454   2.790   2.790
  589    H    ILE 139           H        ILE 139  10.757   4.574   4.574
  590    HA   ILE 139           HA       ILE 139  12.147   3.177   3.177
  591    HB   ILE 139           HB       ILE 139   9.195   3.739   3.739
  592   1HG1  ILE 139          2HG1      ILE 139  11.389   5.643   5.643
  593   2HG1  ILE 139          1HG1      ILE 139  10.422   5.812   5.812
  594   1HG2  ILE 139          3HG2      ILE 139  10.309   2.302   2.302
  595   2HG2  ILE 139          2HG2      ILE 139  11.086   3.785   3.785
  596   3HG2  ILE 139          1HG2      ILE 139   9.328   3.653   3.653
  597   1HD1  ILE 139          3HD1      ILE 139   8.450   5.683   5.683
  598   2HD1  ILE 139          2HD1      ILE 139   9.720   6.354   6.354
  599   3HD1  ILE 139          1HD1      ILE 139   9.245   7.193   7.193
  600    H    VAL 140           H        VAL 140   9.310   2.494   2.494
  601    HA   VAL 140           HA       VAL 140   9.744  -0.367  -0.367
  602    HB   VAL 140           HB       VAL 140   7.104   0.985   0.985
  603   1HG1  VAL 140          3HG1      VAL 140   7.786  -1.893  -1.893
  604   2HG1  VAL 140          2HG1      VAL 140   6.150  -1.239  -1.239
  605   3HG1  VAL 140          1HG1      VAL 140   7.138  -1.241  -1.241
  606   1HG2  VAL 140          3HG2      VAL 140   7.970   1.468   1.468
  607   2HG2  VAL 140          2HG2      VAL 140   6.528   0.454   0.454
  608   3HG2  VAL 140          1HG2      VAL 140   8.119  -0.262  -0.262
  609    H    ASP 141           H        ASP 141  10.855  -1.006  -1.006
  610    HA   ASP 141           HA       ASP 141   9.987  -0.126  -0.126
  611   1HB   ASP 141          1HB       ASP 141  12.071  -1.155  -1.155
  612   2HB   ASP 141          2HB       ASP 141  12.379  -0.020  -0.020
  613    H    GLN 142           H        GLN 142   8.095  -1.287  -1.287
  614    HA   GLN 142           HA       GLN 142   8.500  -4.108  -4.108
  615   1HB   GLN 142          2HB       GLN 142   6.302  -3.063  -3.063
  616   2HB   GLN 142          1HB       GLN 142   6.292  -4.662  -4.662
  617   1HG   GLN 142          2HG       GLN 142   7.776  -5.485  -5.485
  618   2HG   GLN 142          1HG       GLN 142   8.730  -4.003  -4.003
  619   1HE2  GLN 142          1HE2      GLN 142   7.433  -4.208  -4.208
  620   2HE2  GLN 142          2HE2      GLN 142   8.640  -4.923  -4.923
  621    H    THR 143           H        THR 143   6.742  -4.979  -4.979
  622    HA   THR 143           HA       THR 143   5.734  -2.876  -2.876
  623    HB   THR 143           HB       THR 143   7.201  -4.813  -4.813
  624    HG1  THR 143          1HG       THR 143   6.005  -3.405  -3.405
  625   1HG2  THR 143          2HG2      THR 143   5.761  -6.564  -6.564
  626   2HG2  THR 143          1HG2      THR 143   4.617  -6.294  -6.294
  627   3HG2  THR 143          3HG2      THR 143   6.250  -6.862  -6.862
  628    H    ILE 144           H        ILE 144   4.567  -4.346  -4.346
  629    HA   ILE 144           HA       ILE 144   2.459  -4.387  -4.387
  630    HB   ILE 144           HB       ILE 144   2.009  -2.816  -2.816
  631   1HG1  ILE 144          1HG1      ILE 144  -0.271  -4.007  -4.007
  632   2HG1  ILE 144          2HG1      ILE 144   0.919  -2.923  -2.923
  633   1HG2  ILE 144          1HG2      ILE 144   1.393  -5.079  -5.079
  634   2HG2  ILE 144          3HG2      ILE 144  -0.170  -4.750  -4.750
  635   3HG2  ILE 144          2HG2      ILE 144   0.572  -3.555  -3.555
  636   1HD1  ILE 144          3HD1      ILE 144  -0.814  -2.221  -2.221
  637   2HD1  ILE 144          2HD1      ILE 144  -1.176  -1.805  -1.805
  638   3HD1  ILE 144          1HD1      ILE 144   0.260  -1.145  -1.145
  639    H    GLU 145           H        GLU 145   3.006  -6.251  -6.251
  640    HA   GLU 145           HA       GLU 145   1.177  -8.321  -8.321
  641   1HB   GLU 145          1HB       GLU 145   1.639  -9.388  -9.388
  642   2HB   GLU 145          2HB       GLU 145   1.457  -7.668  -7.668
  643   1HG   GLU 145          1HG       GLU 145   3.490  -7.536  -7.536
  644   2HG   GLU 145          2HG       GLU 145   4.207  -8.326  -8.326
  645    H    LYS 146           H        LYS 146   4.559  -7.623  -7.623
  646    HA   LYS 146           HA       LYS 146   5.388 -10.328 -10.328
  647   1HB   LYS 146          2HB       LYS 146   6.766  -8.325  -8.325
  648   2HB   LYS 146          1HB       LYS 146   7.025  -7.924  -7.924
  649   1HG   LYS 146          1HG       LYS 146   8.548  -9.523  -9.523
  650   2HG   LYS 146          2HG       LYS 146   7.530 -10.725 -10.725
  651   1HD   LYS 146          2HD       LYS 146   8.296  -9.126  -9.126
  652   2HD   LYS 146          1HD       LYS 146   9.733  -9.127  -9.127
  653   1HE   LYS 146          2HE       LYS 146  10.245 -11.062 -11.062
  654   2HE   LYS 146          1HE       LYS 146   8.980 -11.765 -11.765
  655   1HZ   LYS 146          1HZ       LYS 146   8.267 -10.564 -10.564
  656   2HZ   LYS 146          3HZ       LYS 146   8.944 -12.113 -12.113
  657   3HZ   LYS 146          2HZ       LYS 146   7.497 -11.805 -11.805
  658    H    VAL 147           H        VAL 147   4.042  -7.796  -7.796
  659    HA   VAL 147           HA       VAL 147   5.178  -8.620  -8.620
  660    HB   VAL 147           HB       VAL 147   2.681  -7.051  -7.051
  661   1HG1  VAL 147          3HG1      VAL 147   4.773  -7.591  -7.591
  662   2HG1  VAL 147          2HG1      VAL 147   5.127  -5.949  -5.949
  663   3HG1  VAL 147          1HG1      VAL 147   3.580  -6.313  -6.313
  664   1HG2  VAL 147          3HG2      VAL 147   5.140  -5.965  -5.965
  665   2HG2  VAL 147          2HG2      VAL 147   3.496  -6.035  -6.035
  666   3HG2  VAL 147          1HG2      VAL 147   3.880  -4.947  -4.947
  667    H    SER 148           H        SER 148   3.279  -8.830  -8.830
  668    HA   SER 148           HA       SER 148   1.860 -11.268 -11.268
  669   1HB   SER 148          2HB       SER 148   3.257 -10.434 -10.434
  670   2HB   SER 148          1HB       SER 148   1.577 -10.759 -10.759
  671    HG   SER 148           HG       SER 148   2.504 -12.710 -12.710
  672    H    PHE 149           H        PHE 149   0.993  -8.417  -8.417
  673    HA   PHE 149           HA       PHE 149  -1.102  -7.547  -7.547
  674   1HB   PHE 149          2HB       PHE 149  -2.254  -9.359  -9.359
  675   2HB   PHE 149          1HB       PHE 149  -3.108  -8.508  -8.508
  676    HD1  PHE 149           HD1      PHE 149  -2.014  -9.117  -9.117
  677    HD2  PHE 149           HD2      PHE 149  -2.142 -11.624 -11.624
  678    HE1  PHE 149           HE1      PHE 149  -1.842 -11.100 -11.100
  679    HE2  PHE 149           HE2      PHE 149  -1.971 -13.613 -13.613
  680    HZ   PHE 149           HZ       PHE 149  -1.821 -13.352 -13.352
  681    H    CYS 150           H        CYS 150  -3.006  -6.680  -6.680
  682    HA   CYS 150           HA       CYS 150  -1.524  -5.422  -5.422
  683   1HB   CYS 150          2HB       CYS 150  -2.395  -3.246  -3.246
  684   2HB   CYS 150          1HB       CYS 150  -1.624  -3.903  -3.903
  685    HG   CYS 150           HG       CYS 150  -4.622  -3.334  -3.334
  686    H    ALA 151           H        ALA 151  -3.003  -4.225  -4.225
  687    HA   ALA 151           HA       ALA 151  -5.754  -4.783  -4.783
  688   1HB   ALA 151          1HB       ALA 151  -3.976  -6.840  -6.840
  689   2HB   ALA 151          3HB       ALA 151  -5.186  -6.275  -6.275
  690   3HB   ALA 151          2HB       ALA 151  -5.690  -6.920  -6.920
  691    HA   PRO 152           HA       PRO 152  -4.622  -1.256  -1.256
  692   1HB   PRO 152          2HB       PRO 152  -7.218  -0.504  -0.504
  693   2HB   PRO 152          1HB       PRO 152  -6.312  -0.030  -0.030
  694   1HG   PRO 152          1HG       PRO 152  -8.303  -2.234  -2.234
  695   2HG   PRO 152          2HG       PRO 152  -8.115  -1.092  -1.092
  696   1HD   PRO 152          1HD       PRO 152  -7.213  -3.611  -3.611
  697   2HD   PRO 152          2HD       PRO 152  -6.319  -2.260  -2.260
  698    H    ASP 153           H        ASP 153  -4.901  -0.638  -0.638
  699    HA   ASP 153           HA       ASP 153  -5.658  -2.866  -2.866
  700   1HB   ASP 153          2HB       ASP 153  -3.433  -1.955  -1.955
  701   2HB   ASP 153          1HB       ASP 153  -4.096  -0.333  -0.333
  702    H    ARG 154           H        ARG 154  -7.852  -1.862  -1.862
  703    HA   ARG 154           HA       ARG 154  -9.948  -1.330  -1.330
  704   1HB   ARG 154          1HB       ARG 154  -8.701   0.313   0.313
  705   2HB   ARG 154          2HB       ARG 154 -10.353  -0.280  -0.280
  706   1HG   ARG 154          2HG       ARG 154  -8.436  -2.444  -2.444
  707   2HG   ARG 154          1HG       ARG 154  -8.242  -1.453  -1.453
  708   1HD   ARG 154          1HD       ARG 154  -9.858  -2.791  -2.791
  709   2HD   ARG 154          2HD       ARG 154 -10.924  -1.688  -1.688
  710    HE   ARG 154           HE       ARG 154 -10.172  -3.700  -3.700
  711   1HH1  ARG 154          1HH2      ARG 154 -11.967  -3.366  -3.366
  712   2HH1  ARG 154          2HH2      ARG 154 -13.015  -4.705  -4.705
  713   1HH2  ARG 154          1HH1      ARG 154 -11.545  -5.467  -5.467
  714   2HH2  ARG 154          2HH1      ARG 154 -12.774  -5.900  -5.900
  715    H    ASN 155           H        ASN 155 -10.269  -0.207  -0.207
  716    HA   ASN 155           HA       ASN 155  -9.125   2.166   2.166
  717   1HB   ASN 155          2HB       ASN 155 -11.547   0.660   0.660
  718   2HB   ASN 155          1HB       ASN 155 -11.644   2.385   2.385
  719   1HD2  ASN 155          1HD2      ASN 155 -10.322   1.084   1.084
  720   2HD2  ASN 155          2HD2      ASN 155 -11.807   1.257   1.257
  721    H    HIS 156           H        HIS 156 -11.478   1.657   1.657
  722    HA   HIS 156           HA       HIS 156 -12.875   3.993   3.993
  723   1HB   HIS 156          1HB       HIS 156 -12.517   1.850   1.850
  724   2HB   HIS 156          2HB       HIS 156 -11.869   3.189   3.189
  725    HD1  HIS 156           HD1      HIS 156 -13.913   2.975   2.975
  726    HD2  HIS 156           HD2      HIS 156 -14.901   3.957   3.957
  727    HE1  HIS 156           HE1      HIS 156 -16.312   3.770   3.770
  728    H    GLU 157           H        GLU 157  -9.478   3.609   3.609
  729    HA   GLU 157           HA       GLU 157  -9.397   6.371   6.371
  730   1HB   GLU 157          1HB       GLU 157  -6.837   5.476   5.476
  731   2HB   GLU 157          2HB       GLU 157  -8.074   5.508   5.508
  732   1HG   GLU 157          1HG       GLU 157  -8.669   3.195   3.195
  733   2HG   GLU 157          2HG       GLU 157  -7.384   3.167   3.167
  734    H    ARG 158           H        ARG 158  -9.141   4.791   4.791
  735    HA   ARG 158           HA       ARG 158  -8.376   5.432   5.432
  736   1HB   ARG 158          2HB       ARG 158  -7.118   7.847   7.847
  737   2HB   ARG 158          1HB       ARG 158  -7.715   7.671   7.671
  738   1HG   ARG 158          1HG       ARG 158  -9.355   7.842   7.842
  739   2HG   ARG 158          2HG       ARG 158  -9.223   9.060   9.060
  740   1HD   ARG 158          2HD       ARG 158 -10.703   8.012   8.012
  741   2HD   ARG 158          1HD       ARG 158 -10.052   6.417   6.417
  742    HE   ARG 158           HE       ARG 158 -11.780   6.164   6.164
  743   1HH1  ARG 158          1HH1      ARG 158 -11.102   9.567   9.567
  744   2HH1  ARG 158          2HH1      ARG 158 -12.384  10.049  10.049
  745   1HH2  ARG 158          1HH2      ARG 158 -13.472   6.788   6.788
  746   2HH2  ARG 158          2HH2      ARG 158 -13.731   8.468   8.468
  747    H    GLY 159           H        GLY 159  -6.910   3.561   3.561
  748   1HA   GLY 159          1HA       GLY 159  -4.160   4.324   4.324
  749   2HA   GLY 159          2HA       GLY 159  -4.465   3.469   3.469
  750    H    PHE 160           H        PHE 160  -3.191   2.970   2.970
  751    HA   PHE 160           HA       PHE 160  -4.422   0.339   0.339
  752   1HB   PHE 160          1HB       PHE 160  -3.333   2.354   2.354
  753   2HB   PHE 160          2HB       PHE 160  -2.559   0.794   0.794
  754    HD1  PHE 160           HD1      PHE 160  -6.066   1.558   1.558
  755    HD2  PHE 160           HD2      PHE 160  -3.426   0.008   0.008
  756    HE1  PHE 160           HE1      PHE 160  -7.997   0.816   0.816
  757    HE2  PHE 160           HE2      PHE 160  -5.353  -0.737  -0.737
  758    HZ   PHE 160           HZ       PHE 160  -7.643  -0.334  -0.334
  759    H    SER 161           H        SER 161  -2.486  -1.109  -1.109
  760    HA   SER 161           HA       SER 161   0.083  -0.942  -0.942
  761   1HB   SER 161          1HB       SER 161  -0.648  -3.141  -3.141
  762   2HB   SER 161          2HB       SER 161  -0.183  -1.540  -1.540
  763    HG   SER 161           HG       SER 161  -2.716  -2.675  -2.675
  764    H    TYR 162           H        TYR 162   1.309  -2.203  -2.203
  765    HA   TYR 162           HA       TYR 162   0.044  -4.396  -4.396
  766   1HB   TYR 162          2HB       TYR 162   2.853  -3.619  -3.619
  767   2HB   TYR 162          1HB       TYR 162   1.563  -4.079  -4.079
  768    HD1  TYR 162           HD1      TYR 162   3.004  -1.304  -1.304
  769    HD2  TYR 162           HD2      TYR 162   0.139  -2.436  -2.436
  770    HE1  TYR 162           HE1      TYR 162   2.667   1.065   1.065
  771    HE2  TYR 162           HE2      TYR 162  -0.207  -0.071  -0.071
  772    HH   TYR 162           HH2      TYR 162   1.526   2.177   2.177
  773    H    ILE 163           H        ILE 163   2.042  -6.067  -6.067
  774    HA   ILE 163           HA       ILE 163   3.610  -6.759  -6.759
  775    HB   ILE 163           HB       ILE 163   2.442  -9.197  -9.197
  776   1HG1  ILE 163          1HG1      ILE 163   0.036  -7.454  -7.454
  777   2HG1  ILE 163          2HG1      ILE 163   0.630  -7.800  -7.800
  778   1HG2  ILE 163          1HG2      ILE 163   2.273  -6.975  -6.975
  779   2HG2  ILE 163          3HG2      ILE 163   1.087  -8.267  -8.267
  780   3HG2  ILE 163          2HG2      ILE 163   2.811  -8.640  -8.640
  781   1HD1  ILE 163          3HD1      ILE 163   0.616 -10.279 -10.279
  782   2HD1  ILE 163          2HD1      ILE 163  -0.743  -9.534  -9.534
  783   3HD1  ILE 163          1HD1      ILE 163  -0.715  -9.578  -9.578
  784    H    CYS 164           H        CYS 164   5.391  -7.864  -7.864
  785    HA   CYS 164           HA       CYS 164   5.382  -9.211  -9.211
  786   1HB   CYS 164          2HB       CYS 164   6.449  -7.085  -7.085
  787   2HB   CYS 164          1HB       CYS 164   7.465  -7.284  -7.284
  788    HG   CYS 164           HG       CYS 164   7.951  -8.565  -8.565
  789    H    ARG 165           H        ARG 165   6.905 -10.909 -10.909
  790    HA   ARG 165           HA       ARG 165   7.879 -11.978 -11.978
  791   1HB   ARG 165          2HB       ARG 165   7.750 -14.220 -14.220
  792   2HB   ARG 165          1HB       ARG 165   6.246 -13.495 -13.495
  793   1HG   ARG 165          1HG       ARG 165   5.472 -13.250 -13.250
  794   2HG   ARG 165          2HG       ARG 165   7.028 -12.683 -12.683
  795   1HD   ARG 165          2HD       ARG 165   7.465 -14.676 -14.676
  796   2HD   ARG 165          1HD       ARG 165   7.218 -15.455 -15.455
  797    HE   ARG 165           HE       ARG 165   4.697 -15.038 -15.038
  798   1HH1  ARG 165          1HH1      ARG 165   7.523 -16.552 -16.552
  799   2HH1  ARG 165          2HH1      ARG 165   6.620 -17.680 -17.680
  800   1HH2  ARG 165          1HH2      ARG 165   3.496 -16.517 -16.517
  801   2HH2  ARG 165          2HH2      ARG 165   4.331 -17.660 -17.660
  802    H    ASP 166           H        ASP 166   9.960 -11.252 -11.252
  803    HA   ASP 166           HA       ASP 166  12.141 -10.999 -10.999
  804   1HB   ASP 166          1HB       ASP 166  12.552 -13.338 -13.338
  805   2HB   ASP 166          2HB       ASP 166  13.038 -13.047 -13.047
  806    H    GLY 167           H        GLY 167  13.599 -11.803 -11.803
  807   1HA   GLY 167          1HA       GLY 167  13.770 -11.540 -11.540
  808   2HA   GLY 167          2HA       GLY 167  12.183 -10.789 -10.789
  809    H    THR 168           H        THR 168  11.987  -8.582  -8.582
  810    HA   THR 168           HA       THR 168  14.494  -7.090  -7.090
  811    HB   THR 168           HB       THR 168  11.933  -5.635  -5.635
  812    HG1  THR 168          1HG       THR 168  11.206  -6.622  -6.622
  813   1HG2  THR 168          2HG2      THR 168  14.307  -5.808  -5.808
  814   2HG2  THR 168          1HG2      THR 168  12.942  -4.704  -4.704
  815   3HG2  THR 168          3HG2      THR 168  14.023  -4.566  -4.566
  816    H    THR 169           H        THR 169  13.575  -8.210  -8.210
  817    HA   THR 169           HA       THR 169  13.673  -5.732  -5.732
  818    HB   THR 169           HB       THR 169  11.903  -7.356  -7.356
  819    HG1  THR 169          1HG       THR 169  10.928  -7.035  -7.035
  820   1HG2  THR 169          2HG2      THR 169  11.615  -4.812  -4.812
  821   2HG2  THR 169          1HG2      THR 169  10.199  -5.588  -5.588
  822   3HG2  THR 169          3HG2      THR 169  11.551  -5.106  -5.106
  823    H    ARG 170           H        ARG 170  12.888  -8.981  -8.981
  824    HA   ARG 170           HA       ARG 170  15.462  -9.826  -9.826
  825   1HB   ARG 170          1HB       ARG 170  15.072  -9.432  -9.432
  826   2HB   ARG 170          2HB       ARG 170  15.819  -8.187  -8.187
  827   1HG   ARG 170          2HG       ARG 170  13.661  -7.059  -7.059
  828   2HG   ARG 170          1HG       ARG 170  12.929  -8.310  -8.310
  829   1HD   ARG 170          2HD       ARG 170  15.188  -6.517  -6.517
  830   2HD   ARG 170          1HD       ARG 170  13.488  -6.238  -6.238
  831    HE   ARG 170           HE       ARG 170  14.319  -8.832  -8.832
  832   1HH1  ARG 170          1HH1      ARG 170  14.464  -5.463  -5.463
  833   2HH1  ARG 170          2HH1      ARG 170  14.646  -5.775  -5.775
  834   1HH2  ARG 170          1HH2      ARG 170  14.559  -9.253  -9.253
  835   2HH2  ARG 170          2HH2      ARG 170  14.700  -7.930  -7.930
  836    H    ARG 171           H        ARG 171  12.145  -9.671  -9.671
  837    HA   ARG 171           HA       ARG 171  11.767 -12.483 -12.483
  838   1HB   ARG 171          2HB       ARG 171  11.484 -13.146 -13.146
  839   2HB   ARG 171          1HB       ARG 171  13.032 -12.320 -12.320
  840   1HG   ARG 171          2HG       ARG 171  12.376 -10.672 -10.672
  841   2HG   ARG 171          1HG       ARG 171  10.750 -10.604 -10.604
  842   1HD   ARG 171          2HD       ARG 171   9.940 -11.836 -11.836
  843   2HD   ARG 171          1HD       ARG 171  11.140 -13.095 -13.095
  844    HE   ARG 171           HE       ARG 171  11.224 -11.042 -11.042
  845   1HH1  ARG 171          1HH1      ARG 171  13.074 -13.315 -13.315
  846   2HH1  ARG 171          2HH1      ARG 171  14.378 -13.393 -13.393
  847   1HH2  ARG 171          1HH2      ARG 171  12.935 -11.137 -11.137
  848   2HH2  ARG 171          2HH2      ARG 171  14.299 -12.154 -12.154
  849    H    TRP 172           H        TRP 172   9.593 -12.487 -12.487
  850    HA   TRP 172           HA       TRP 172   7.523 -11.426 -11.426
  851   1HB   TRP 172          1HB       TRP 172   7.035 -12.041 -12.041
  852   2HB   TRP 172          2HB       TRP 172   6.029 -12.388 -12.388
  853    HD1  TRP 172           HD1      TRP 172   8.248 -14.057 -14.057
  854    HE1  TRP 172           HE1      TRP 172   8.880 -16.410 -16.410
  855    HE3  TRP 172           HE3      TRP 172   6.688 -13.674 -13.674
  856    HZ2  TRP 172          2HZ       TRP 172   8.736 -17.913 -17.913
  857    HZ3  TRP 172           HZ3      TRP 172   6.968 -15.618 -15.618
  858    HH2  TRP 172           HH2      TRP 172   7.973 -17.691 -17.691
  859    H    MET 173           H        MET 173   8.515  -9.248  -9.248
  860    HA   MET 173           HA       MET 173   8.269  -7.630  -7.630
  861   1HB   MET 173          1HB       MET 173   9.146  -6.840  -6.840
  862   2HB   MET 173          2HB       MET 173   9.282  -5.852  -5.852
  863   1HG   MET 173          1HG       MET 173  10.779  -8.347  -8.347
  864   2HG   MET 173          2HG       MET 173  11.417  -6.743  -6.743
  865   1HE   MET 173          2HE       MET 173   9.943  -5.775  -5.775
  866   2HE   MET 173          1HE       MET 173  10.584  -6.472  -6.472
  867   3HE   MET 173          3HE       MET 173  11.685  -5.798  -5.798
  868    H    CYS 174           H        CYS 174   6.497  -6.668  -6.668
  869    HA   CYS 174           HA       CYS 174   4.300  -6.333  -6.333
  870   1HB   CYS 174          2HB       CYS 174   4.743  -6.250  -6.250
  871   2HB   CYS 174          1HB       CYS 174   3.700  -4.941  -4.941
  872    HG   CYS 174           HG       CYS 174   2.942  -7.848  -7.848
  873    H    HIS 175           H        HIS 175   3.226  -4.213  -4.213
  874    HA   HIS 175           HA       HIS 175   5.097  -1.957  -1.957
  875   1HB   HIS 175          2HB       HIS 175   3.417  -2.696  -2.696
  876   2HB   HIS 175          1HB       HIS 175   4.366  -1.221  -1.221
  877    HD1  HIS 175           HD1      HIS 175   6.732  -1.359  -1.359
  878    HD2  HIS 175           HD2      HIS 175   5.074  -5.098  -5.098
  879    HE1  HIS 175           HE1      HIS 175   8.422  -3.058  -3.058
  880    H    GLY 176           H        GLY 176   4.172  -0.585  -0.585
  881   1HA   GLY 176          1HA       GLY 176   1.256  -0.164  -0.164
  882   2HA   GLY 176          2HA       GLY 176   2.173   0.024   0.024
  883    H    PHE 177           H        PHE 177   0.573   1.745   1.745
  884    HA   PHE 177           HA       PHE 177   2.175   4.125   4.125
  885   1HB   PHE 177          1HB       PHE 177   2.059   4.871   4.871
  886   2HB   PHE 177          2HB       PHE 177   2.924   3.344   3.344
  887    HD1  PHE 177           HD1      PHE 177   1.214   1.232   1.232
  888    HD2  PHE 177           HD2      PHE 177   0.680   5.062   5.062
  889    HE1  PHE 177           HE1      PHE 177  -0.279   0.240   0.240
  890    HE2  PHE 177           HE2      PHE 177  -0.815   4.079   4.079
  891    HZ   PHE 177           HZ       PHE 177  -1.296   1.664   1.664
  892    H    LEU 178           H        LEU 178   1.016   6.021   6.021
  893    HA   LEU 178           HA       LEU 178  -1.909   5.703   5.703
  894   1HB   LEU 178          2HB       LEU 178  -0.163   6.685   6.685
  895   2HB   LEU 178          1HB       LEU 178  -1.080   8.055   8.055
  896    HG   LEU 178           HG       LEU 178  -2.030   6.806   6.806
  897   1HD1  LEU 178          1HD1      LEU 178  -3.295   7.947   7.947
  898   2HD1  LEU 178          3HD1      LEU 178  -4.301   6.647   6.647
  899   3HD1  LEU 178          2HD1      LEU 178  -3.810   7.978   7.978
  900   1HD2  LEU 178          3HD2      LEU 178  -1.563   4.566   4.566
  901   2HD2  LEU 178          2HD2      LEU 178  -2.915   4.713   4.713
  902   3HD2  LEU 178          1HD2      LEU 178  -3.189   4.866   4.866
  903    H    ALA 179           H        ALA 179  -3.161   7.159   7.159
  904    HA   ALA 179           HA       ALA 179  -2.037   8.518   8.518
  905   1HB   ALA 179          3HB       ALA 179  -4.738   8.355   8.355
  906   2HB   ALA 179          2HB       ALA 179  -4.424   9.652   9.652
  907   3HB   ALA 179          1HB       ALA 179  -4.207   7.970   7.970
  908    H    CYS 180           H        CYS 180  -1.545  10.639  10.639
  909    HA   CYS 180           HA       CYS 180  -0.621  12.230  12.230
  910   1HB   CYS 180          1HB       CYS 180   0.065  12.477  12.477
  911   2HB   CYS 180          2HB       CYS 180  -1.518  13.148  13.148
  912    HG   CYS 180           HG       CYS 180   0.507  14.938  14.938
  913    H    LYS 181           H        LYS 181  -3.503  12.892  12.892
  914    HA   LYS 181           HA       LYS 181  -4.489  14.839  14.839
  915   1HB   LYS 181          1HB       LYS 181  -6.123  13.535  13.535
  916   2HB   LYS 181          2HB       LYS 181  -6.276  15.158  15.158
  917   1HG   LYS 181          2HG       LYS 181  -4.075  14.129  14.129
  918   2HG   LYS 181          1HG       LYS 181  -5.337  15.284  15.284
  919   1HD   LYS 181          2HD       LYS 181  -3.430  15.820  15.820
  920   2HD   LYS 181          1HD       LYS 181  -3.004  16.193  16.193
  921   1HE   LYS 181          1HE       LYS 181  -4.755  17.754  17.754
  922   2HE   LYS 181          2HE       LYS 181  -5.550  17.175  17.175
  923   1HZ   LYS 181          1HZ       LYS 181  -2.891  18.489  18.489
  924   2HZ   LYS 181          3HZ       LYS 181  -4.343  19.315  19.315
  925   3HZ   LYS 181          2HZ       LYS 181  -3.844  18.113  18.113
  926    H    ASP 182           H        ASP 182  -4.895  11.431  11.431
  927    HA   ASP 182           HA       ASP 182  -5.997   9.830   9.830
  928   1HB   ASP 182          1HB       ASP 182  -5.483  11.963  11.963
  929   2HB   ASP 182          2HB       ASP 182  -6.931  11.047  11.047
  930    H    SER 183           H        SER 183  -7.655   9.881   9.881
  931    HA   SER 183           HA       SER 183 -10.252  10.108  10.108
  932   1HB   SER 183          2HB       SER 183  -9.327  12.566  12.566
  933   2HB   SER 183          1HB       SER 183 -10.156  12.017  12.017
  934    HG   SER 183           HG       SER 183 -11.300  13.121  13.121
  935    H    GLY 184           H        GLY 184  -8.606   8.233   8.233
  936   1HA   GLY 184          2HA       GLY 184  -8.681   6.802   6.802
  937   2HA   GLY 184          1HA       GLY 184 -10.418   6.973   6.973
  938    H    GLU 185           H        GLU 185  -8.123   9.469   9.469
  939    HA   GLU 185           HA       GLU 185  -9.300   9.429   9.429
  940   1HB   GLU 185          2HB       GLU 185  -9.632  11.435  11.435
  941   2HB   GLU 185          1HB       GLU 185  -8.755  12.122  12.122
  942   1HG   GLU 185          1HG       GLU 185 -10.988  10.543  10.543
  943   2HG   GLU 185          2HG       GLU 185 -11.505  11.780  11.780
  944    H    ARG 186           H        ARG 186  -6.515   9.071   9.071
  945    HA   ARG 186           HA       ARG 186  -4.934  10.492  10.492
  946   1HB   ARG 186          2HB       ARG 186  -4.220   9.742   9.742
  947   2HB   ARG 186          1HB       ARG 186  -3.052  10.341  10.341
  948   1HG   ARG 186          1HG       ARG 186  -5.524  11.899  11.899
  949   2HG   ARG 186          2HG       ARG 186  -4.077  11.999  11.999
  950   1HD   ARG 186          1HD       ARG 186  -2.852  13.051  13.051
  951   2HD   ARG 186          2HD       ARG 186  -3.782  12.335  12.335
  952    HE   ARG 186           HE       ARG 186  -5.486  14.044  14.044
  953   1HH1  ARG 186          1HH1      ARG 186  -2.559  14.250  14.250
  954   2HH1  ARG 186          2HH1      ARG 186  -2.884  15.853  15.853
  955   1HH2  ARG 186          1HH2      ARG 186  -5.923  16.157  16.157
  956   2HH2  ARG 186          2HH2      ARG 186  -4.796  16.936  16.936
  957    H    LEU 187           H        LEU 187  -4.546   7.695   7.695
  958    HA   LEU 187           HA       LEU 187  -3.907   6.038   6.038
  959   1HB   LEU 187          2HB       LEU 187  -1.924   5.082   5.082
  960   2HB   LEU 187          1HB       LEU 187  -1.719   6.654   6.654
  961    HG   LEU 187           HG       LEU 187  -0.728   6.317   6.317
  962   1HD1  LEU 187          3HD2      LEU 187  -1.440   8.522   8.522
  963   2HD1  LEU 187          2HD2      LEU 187  -2.611   8.613   8.613
  964   3HD1  LEU 187          1HD2      LEU 187  -0.884   8.549   8.549
  965   1HD2  LEU 187          2HD1      LEU 187  -2.645   5.142   5.142
  966   2HD2  LEU 187          1HD1      LEU 187  -2.216   6.588   6.588
  967   3HD2  LEU 187          3HD1      LEU 187  -3.614   6.607   6.607
  968    H    SER 188           H        SER 188  -5.931   6.335   6.335
  969    HA   SER 188           HA       SER 188  -5.723   3.647   3.647
  970   1HB   SER 188          1HB       SER 188  -6.873   6.160   6.160
  971   2HB   SER 188          2HB       SER 188  -8.049   4.849   4.849
  972    HG   SER 188           HG       SER 188  -5.791   5.294   5.294
  973    H    HIS 189           H        HIS 189  -7.649   5.650   5.650
  974    HA   HIS 189           HA       HIS 189  -9.332   3.329   3.329
  975   1HB   HIS 189          1HB       HIS 189 -10.425   5.493   5.493
  976   2HB   HIS 189          2HB       HIS 189  -9.949   6.199   6.199
  977    HD1  HIS 189           HD1      HIS 189 -10.697   3.050   3.050
  978    HD2  HIS 189           HD2      HIS 189 -13.067   6.046   6.046
  979    HE1  HIS 189           HE1      HIS 189 -13.057   2.600   2.600
  980    H    ALA 190           H        ALA 190  -6.955   5.543   5.543
  981    HA   ALA 190           HA       ALA 190  -7.462   5.217   5.217
  982   1HB   ALA 190          3HB       ALA 190  -5.829   6.859   6.859
  983   2HB   ALA 190          2HB       ALA 190  -4.745   5.949   5.949
  984   3HB   ALA 190          1HB       ALA 190  -6.046   6.922   6.922
  985    H    VAL 191           H        VAL 191  -4.814   4.103   4.103
  986    HA   VAL 191           HA       VAL 191  -3.496   2.473   2.473
  987    HB   VAL 191           HB       VAL 191  -3.908   1.810   1.810
  988   1HG1  VAL 191          2HG2      VAL 191  -2.076   0.871   0.871
  989   2HG1  VAL 191          1HG2      VAL 191  -1.416   1.054   1.054
  990   3HG1  VAL 191          3HG2      VAL 191  -2.794  -0.011  -0.011
  991   1HG2  VAL 191          2HG1      VAL 191  -1.942   3.679   3.679
  992   2HG2  VAL 191          1HG1      VAL 191  -3.178   4.091   4.091
  993   3HG2  VAL 191          3HG1      VAL 191  -1.802   3.096   3.096
  994    H    GLY 192           H        GLY 192  -6.167   1.543   1.543
  995   1HA   GLY 192          1HA       GLY 192  -6.372  -1.135  -1.135
  996   2HA   GLY 192          2HA       GLY 192  -7.755  -0.110  -0.110
  997    H    CYS 193           H        CYS 193  -7.403   1.566   1.566
  998    HA   CYS 193           HA       CYS 193  -8.809  -0.071  -0.071
  999   1HB   CYS 193          2HB       CYS 193  -9.064   2.494   2.494
 1000   2HB   CYS 193          1HB       CYS 193  -7.787   2.669   2.669
 1001    HG   CYS 193           HG       CYS 193  -9.875   1.058   1.058
 1002    H    ALA 194           H        ALA 194  -5.561   1.077   1.077
 1003    HA   ALA 194           HA       ALA 194  -4.553   0.801   0.801
 1004   1HB   ALA 194          3HB       ALA 194  -3.511   1.453   1.453
 1005   2HB   ALA 194          2HB       ALA 194  -2.673  -0.041  -0.041
 1006   3HB   ALA 194          1HB       ALA 194  -2.611   1.340   1.340
 1007    H    PHE 195           H        PHE 195  -4.769  -1.569  -1.569
 1008    HA   PHE 195           HA       PHE 195  -3.518  -3.714  -3.714
 1009   1HB   PHE 195          1HB       PHE 195  -5.688  -3.496  -3.496
 1010   2HB   PHE 195          2HB       PHE 195  -5.235  -5.080  -5.080
 1011    HD1  PHE 195           HD2      PHE 195  -4.072  -2.149  -2.149
 1012    HD2  PHE 195           HD1      PHE 195  -3.160  -6.101  -6.101
 1013    HE1  PHE 195           HE2      PHE 195  -2.186  -2.226  -2.226
 1014    HE2  PHE 195           HE1      PHE 195  -1.272  -6.185  -6.185
 1015    HZ   PHE 195           HZ       PHE 195  -0.784  -4.247  -4.247
 1016    H    ALA 196           H        ALA 196  -6.633  -2.319  -2.319
 1017    HA   ALA 196           HA       ALA 196  -8.038  -4.366  -4.366
 1018   1HB   ALA 196          2HB       ALA 196  -8.683  -1.891  -1.891
 1019   2HB   ALA 196          1HB       ALA 196  -8.040  -1.636  -1.636
 1020   3HB   ALA 196          3HB       ALA 196  -9.384  -2.751  -2.751
 1021    H    VAL 197           H        VAL 197  -5.270  -2.625  -2.625
 1022    HA   VAL 197           HA       VAL 197  -5.515  -3.669  -3.669
 1023    HB   VAL 197           HB       VAL 197  -3.270  -2.107  -2.107
 1024   1HG1  VAL 197          1HG2      VAL 197  -3.227  -3.620  -3.620
 1025   2HG1  VAL 197          3HG2      VAL 197  -3.443  -1.954  -1.954
 1026   3HG1  VAL 197          2HG2      VAL 197  -2.071  -2.379  -2.379
 1027   1HG2  VAL 197          1HG1      VAL 197  -5.675  -1.308  -1.308
 1028   2HG2  VAL 197          3HG1      VAL 197  -5.097  -0.655  -0.655
 1029   3HG2  VAL 197          2HG1      VAL 197  -4.225  -0.304  -0.304
 1030    H    CYS 198           H        CYS 198  -3.791  -4.363  -4.363
 1031    HA   CYS 198           HA       CYS 198  -1.769  -6.027  -6.027
 1032   1HB   CYS 198          1HB       CYS 198  -2.205  -5.239  -5.239
 1033   2HB   CYS 198          2HB       CYS 198  -3.362  -6.560  -6.560
 1034    HG   CYS 198           HG       CYS 198  -0.777  -7.059  -7.059
 1035    H    LEU 199           H        LEU 199  -5.118  -6.836  -6.836
 1036    HA   LEU 199           HA       LEU 199  -4.762  -9.505  -9.505
 1037   1HB   LEU 199          1HB       LEU 199  -7.275  -9.619  -9.619
 1038   2HB   LEU 199          2HB       LEU 199  -5.924  -9.876  -9.876
 1039    HG   LEU 199           HG       LEU 199  -7.090  -7.133  -7.133
 1040   1HD1  LEU 199          2HD2      LEU 199  -8.176  -9.346  -9.346
 1041   2HD1  LEU 199          1HD2      LEU 199  -8.607  -7.642  -7.642
 1042   3HD1  LEU 199          3HD2      LEU 199  -9.014  -8.537  -8.537
 1043   1HD2  LEU 199          1HD1      LEU 199  -4.932  -7.872  -7.872
 1044   2HD2  LEU 199          3HD1      LEU 199  -6.041  -6.686  -6.686
 1045   3HD2  LEU 199          2HD1      LEU 199  -6.101  -8.365  -8.365
 1046    H    GLU 200           H        GLU 200  -6.205  -6.436  -6.436
 1047    HA   GLU 200           HA       GLU 200  -7.407  -5.582  -5.582
 1048   1HB   GLU 200          1HB       GLU 200  -6.926  -7.263  -7.263
 1049   2HB   GLU 200          2HB       GLU 200  -6.076  -5.784  -5.784
 1050   1HG   GLU 200          2HG       GLU 200  -4.629  -7.330  -7.330
 1051   2HG   GLU 200          1HG       GLU 200  -5.275  -8.617  -8.617
 1052    H    ARG 201           H        ARG 201  -9.504  -5.616  -5.616
 1053    HA   ARG 201           HA       ARG 201 -11.608  -6.313  -6.313
 1054   1HB   ARG 201          1HB       ARG 201 -10.039  -8.132  -8.132
 1055   2HB   ARG 201          2HB       ARG 201 -11.082  -9.156  -9.156
 1056   1HG   ARG 201          1HG       ARG 201 -12.159  -6.932  -6.932
 1057   2HG   ARG 201          2HG       ARG 201 -11.901  -8.566  -8.566
 1058   1HD   ARG 201          2HD       ARG 201 -14.017  -8.891  -8.891
 1059   2HD   ARG 201          1HD       ARG 201 -13.263  -9.106  -9.106
 1060    HE   ARG 201           HE       ARG 201 -13.735  -6.420  -6.420
 1061   1HH1  ARG 201          2HH1      ARG 201 -15.680  -9.296  -9.296
 1062   2HH1  ARG 201          1HH1      ARG 201 -17.114  -8.535  -8.535
 1063   1HH2  ARG 201          1HH2      ARG 201 -15.619  -5.406  -5.406
 1064   2HH2  ARG 201          2HH2      ARG 201 -17.080  -6.323  -6.323
 1065    H    LYS 202           H        LYS 202 -10.265  -6.553  -6.553
 1066    HA   LYS 202           HA       LYS 202 -10.654  -7.368  -7.368
 1067   1HB   LYS 202          1HB       LYS 202 -13.459  -7.763  -7.763
 1068   2HB   LYS 202          2HB       LYS 202 -12.980  -7.515  -7.515
 1069   1HG   LYS 202          2HG       LYS 202 -12.659  -5.494  -5.494
 1070   2HG   LYS 202          1HG       LYS 202 -13.961  -5.506  -5.506
 1071   1HD   LYS 202          1HD       LYS 202 -11.208  -5.605  -5.605
 1072   2HD   LYS 202          2HD       LYS 202 -11.694  -4.094  -4.094
 1073   1HE   LYS 202          2HE       LYS 202 -13.863  -4.523  -4.523
 1074   2HE   LYS 202          1HE       LYS 202 -12.664  -5.355  -5.355
 1075   1HZ   LYS 202          3HZ       LYS 202 -11.321  -3.297  -3.297
 1076   2HZ   LYS 202          2HZ       LYS 202 -12.591  -2.519  -2.519
 1077   3HZ   LYS 202          1HZ       LYS 202 -12.811  -3.094  -3.094
 1078    H    GLN 203           H        GLN 203  -9.538  -9.303  -9.303
 1079    HA   GLN 203           HA       GLN 203 -10.968 -11.745 -11.745
 1080   1HB   GLN 203          1HB       GLN 203  -7.985 -11.244 -11.244
 1081   2HB   GLN 203          2HB       GLN 203  -8.750 -12.785 -12.785
 1082   1HG   GLN 203          1HG       GLN 203  -9.735 -10.526 -10.526
 1083   2HG   GLN 203          2HG       GLN 203  -8.037 -10.929 -10.929
 1084   1HE2  GLN 203          2HE2      GLN 203  -9.082 -13.245 -13.245
 1085   2HE2  GLN 203          1HE2      GLN 203  -8.194 -11.807 -11.807
 1086    H    ARG 204           H        ARG 204 -11.816 -11.419 -11.419
 1087    HA   ARG 204           HA       ARG 204 -10.141 -11.747 -11.747
 1088   1HB   ARG 204          1HB       ARG 204 -12.867 -11.280 -11.280
 1089   2HB   ARG 204          2HB       ARG 204 -12.805 -12.779 -12.779
 1090   1HG   ARG 204          1HG       ARG 204 -12.324 -11.707 -11.707
 1091   2HG   ARG 204          2HG       ARG 204 -11.037 -10.778 -10.778
 1092   1HD   ARG 204          1HD       ARG 204 -12.315  -8.965  -8.965
 1093   2HD   ARG 204          2HD       ARG 204 -13.584  -9.845  -9.845
 1094    HE   ARG 204           HE       ARG 204 -13.755 -10.549 -10.549
 1095   1HH1  ARG 204          1HH2      ARG 204 -14.101  -7.692  -7.692
 1096   2HH1  ARG 204          2HH2      ARG 204 -15.252  -6.948  -6.948
 1097   1HH2  ARG 204          1HH1      ARG 204 -15.271  -9.578  -9.578
 1098   2HH2  ARG 204          2HH1      ARG 204 -15.917  -8.020  -8.020
 1099    H    ARG 205           H        ARG 205  -8.936 -13.464 -13.464
 1100    HA   ARG 205           HA       ARG 205  -9.544 -16.059 -16.059
 1101   1HB   ARG 205          2HB       ARG 205  -7.251 -14.747 -14.747
 1102   2HB   ARG 205          1HB       ARG 205  -7.514 -16.054 -16.054
 1103   1HG   ARG 205          2HG       ARG 205  -6.650 -17.502 -17.502
 1104   2HG   ARG 205          1HG       ARG 205  -7.873 -17.078 -17.078
 1105   1HD   ARG 205          1HD       ARG 205  -6.317 -14.998 -14.998
 1106   2HD   ARG 205          2HD       ARG 205  -5.094 -16.053 -16.053
 1107    HE   ARG 205           HE       ARG 205  -6.304 -17.559 -17.559
 1108   1HH1  ARG 205          2HH2      ARG 205  -4.628 -14.510 -14.510
 1109   2HH1  ARG 205          1HH2      ARG 205  -4.016 -14.635 -14.635
 1110   1HH2  ARG 205          2HH1      ARG 205  -5.504 -17.736 -17.736
 1111   2HH2  ARG 205          1HH1      ARG 205  -4.515 -16.471 -16.471
 1112    H    THR 206           H        THR 206 -11.201 -17.142 -17.142
 1113    HA   THR 206           HA       THR 206 -11.059 -17.889 -17.889
 1114    HB   THR 206           HB       THR 206 -13.288 -17.161 -17.161
 1115    HG1  THR 206          1HG       THR 206 -13.404 -16.294 -16.294
 1116   1HG2  THR 206          1HG2      THR 206 -11.406 -15.489 -15.489
 1117   2HG2  THR 206          3HG2      THR 206 -12.046 -14.771 -14.771
 1118   3HG2  THR 206          2HG2      THR 206 -13.045 -14.836 -14.836
 1119    H    ARG 207           H        ARG 207 -10.563 -19.739 -19.739
 1120    HA   ARG 207           HA       ARG 207 -12.467 -20.989 -20.989
 1121   1HB   ARG 207          2HB       ARG 207  -9.960 -21.726 -21.726
 1122   2HB   ARG 207          1HB       ARG 207 -11.077 -23.083 -23.083
 1123   1HG   ARG 207          1HG       ARG 207 -10.061 -21.452 -21.452
 1124   2HG   ARG 207          2HG       ARG 207  -9.718 -23.146 -23.146
 1125   1HD   ARG 207          1HD       ARG 207 -11.516 -23.786 -23.786
 1126   2HD   ARG 207          2HD       ARG 207 -12.546 -22.773 -22.773
 1127    HE   ARG 207           HE       ARG 207 -12.740 -21.374 -21.374
 1128   1HH1  ARG 207          1HH1      ARG 207  -9.710 -23.067 -23.067
 1129   2HH1  ARG 207          2HH1      ARG 207  -9.287 -22.332 -22.332
 1130   1HH2  ARG 207          2HH2      ARG 207 -12.195 -20.400 -20.400
 1131   2HH2  ARG 207          1HH2      ARG 207 -10.701 -20.815 -20.815
 1132    H    ALA 208           H        ALA 208 -11.725 -21.748 -21.748
 1133    HA   ALA 208           HA       ALA 208 -12.985 -22.647 -22.647
 1134   1HB   ALA 208          2HB       ALA 208 -14.735 -20.897 -20.897
 1135   2HB   ALA 208          1HB       ALA 208 -15.640 -22.281 -22.281
 1136   3HB   ALA 208          3HB       ALA 208 -14.706 -21.275 -21.275
 1137    H    ALA 209           H        ALA 209 -12.256 -24.760 -24.760
 1138    HA   ALA 209           HA       ALA 209 -14.343 -26.369 -26.369
 1139   1HB   ALA 209          2HB       ALA 209 -11.415 -26.356 -26.356
 1140   2HB   ALA 209          1HB       ALA 209 -12.160 -27.952 -27.952
 1141   3HB   ALA 209          3HB       ALA 209 -12.653 -26.823 -26.823
 1142    H    ALA 210           H        ALA 210 -15.391 -26.536 -26.536
 1143    HA   ALA 210           HA       ALA 210 -14.090 -27.797 -27.797
 1144   1HB   ALA 210          2HB       ALA 210 -16.146 -26.274 -26.274
 1145   2HB   ALA 210          1HB       ALA 210 -17.062 -27.715 -27.715
 1146   3HB   ALA 210          3HB       ALA 210 -16.144 -27.682 -27.682
 1147   1H    ALA   1          2HT       ALA   1 -11.994  -8.126  -8.126
 1148   2H    ALA   1          1HT       ALA   1 -12.279  -7.692  -7.692
 1149   3H    ALA   1          3HT       ALA   1 -13.601  -7.949  -7.949
 1150    HA   ALA   1           HA       ALA   1 -13.441  -5.692  -5.692
 1151   1HB   ALA   1          3HB       ALA   1 -10.735  -6.246  -6.246
 1152   2HB   ALA   1          2HB       ALA   1 -10.762  -5.121  -5.121
 1153   3HB   ALA   1          1HB       ALA   1 -11.596  -4.713  -4.713
 1154    H    TYR   2           H        TYR   2 -10.779  -6.524  -6.524
 1155    HA   TYR   2           HA       TYR   2 -12.597  -6.044  -6.044
 1156   1HB   TYR   2          1HB       TYR   2 -10.025  -5.172  -5.172
 1157   2HB   TYR   2          2HB       TYR   2 -11.488  -4.215  -4.215
 1158    HD1  TYR   2           HD1      TYR   2  -9.001  -5.717  -5.717
 1159    HD2  TYR   2           HD2      TYR   2 -11.145  -2.258  -2.258
 1160    HE1  TYR   2           HE1      TYR   2  -7.946  -4.417  -4.417
 1161    HE2  TYR   2           HE2      TYR   2 -10.093  -0.950  -0.950
 1162    HH   TYR   2           HH2      TYR   2  -8.930  -1.138  -1.138
 1163    H    ILE   3           H        ILE   3  -9.115  -6.667  -6.667
 1164    HA   ILE   3           HA       ILE   3  -9.631  -9.336  -9.336
 1165    HB   ILE   3           HB       ILE   3  -7.724  -7.278  -7.278
 1166   1HG1  ILE   3          1HG1      ILE   3  -9.275  -8.260  -8.260
 1167   2HG1  ILE   3          2HG1      ILE   3 -10.408  -8.240  -8.240
 1168   1HG2  ILE   3          3HG2      ILE   3  -7.324 -10.029 -10.029
 1169   2HG2  ILE   3          2HG2      ILE   3  -7.985  -9.707  -9.707
 1170   3HG2  ILE   3          1HG2      ILE   3  -6.533  -8.866  -8.866
 1171   1HD1  ILE   3          1HD1      ILE   3  -8.768  -5.870  -5.870
 1172   2HD1  ILE   3          3HD1      ILE   3 -10.418  -6.184  -6.184
 1173   3HD1  ILE   3          2HD1      ILE   3 -10.085  -5.903  -5.903
 1174    H    GLY   4           H        GLY   4  -6.941  -7.213  -7.213
 1175   1HA   GLY   4          2HA       GLY   4  -5.065  -9.079  -9.079
 1176   2HA   GLY   4          1HA       GLY   4  -5.276  -7.593  -7.593
 1177    HA   PRO   5           HA       PRO   5  -6.962  -9.947  -9.947
 1178   1HB   PRO   5          1HB       PRO   5  -9.102  -8.649  -8.649
 1179   2HB   PRO   5          2HB       PRO   5  -7.541  -7.824  -7.824
 1180   1HG   PRO   5          1HG       PRO   5  -9.850  -7.687  -7.687
 1181   2HG   PRO   5          2HG       PRO   5  -8.838  -6.378  -6.378
 1182   1HD   PRO   5          2HD       PRO   5  -8.481  -7.581  -7.581
 1183   2HD   PRO   5          1HD       PRO   5  -7.216  -6.715  -6.715
 1184   1HN   PTR   6           H        PTR   6  -9.375  -9.431  -9.431
 1185    HA   PTR   6           HA       PTR   6 -11.306 -11.248 -11.248
 1186   1HB   PTR   6          1HB       PTR   6 -11.011 -10.600 -10.600
 1187   2HB   PTR   6          2HB       PTR   6 -11.532  -9.363  -9.363
 1188    HD1  PTR   6           HD1      PTR   6 -12.486 -12.354 -12.354
 1189    HD2  PTR   6           HD2      PTR   6 -13.674  -9.615  -9.615
 1190    HE1  PTR   6           HE1      PTR   6 -14.856 -12.945 -12.945
 1191    HE2  PTR   6           HE2      PTR   6 -15.991 -10.427 -10.427
 1192    H    LEU   7           H        LEU   7  -9.362 -11.633 -11.633
 1193    HA   LEU   7           HA       LEU   7  -9.851 -14.264 -14.264
 1194   1HB   LEU   7          2HB       LEU   7  -7.088 -13.128 -13.128
 1195   2HB   LEU   7          1HB       LEU   7  -7.892 -14.332 -14.332
 1196    HG   LEU   7           HG       LEU   7  -8.442 -11.376 -11.376
 1197   1HD1  LEU   7          1HD1      LEU   7  -7.424 -13.278 -13.278
 1198   2HD1  LEU   7          3HD1      LEU   7  -8.057 -11.683 -11.683
 1199   3HD1  LEU   7          2HD1      LEU   7  -6.644 -11.833 -11.833
 1200   1HD2  LEU   7          1HD2      LEU   7 -10.271 -13.523 -13.523
 1201   2HD2  LEU   7          3HD2      LEU   7 -10.563 -11.784 -11.784
 1202   3HD2  LEU   7          2HD2      LEU   7 -10.018 -12.543 -12.543