*HEADER    HYDROLASE                               28-MAR-06   2GI4              
*TITLE     SOLUTION STRUCTURE OF THE LOW MOLECULAR WEIGHT PROTEIN                
*TITLE    2 TYROSINE PHOSPHATASE FROM CAMPYLOBACTER JEJUNI.                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POSSIBLE PHOSPHOTYROSINE PROTEIN PHOSPHATASE;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: 3.1.3.48;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI;                           
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: 11168;                                                       
*SOURCE   5 GENE: CJ1258;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: AD202,   BL21(DE3);                        
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PCWORI+                                   
*KEYWDS    LOW MOLECULAR WEIGHT, PROTEIN TYROSINE PHOSPHATASE,                   
*KEYWDS   2 BACTERIAL PHOSPHATASE, PROKARYOTIC PHOSPHATASE, PHOSPHATASE,         
*KEYWDS   3 HYDROLASE                                                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.TOLKATCHEV, R.SHAYKHUTDINOV, P.XU, F.NI                             
*REVDAT   1   18-APR-06 2GI4    0                                                


 ASSI {  106}
   (  segid "    " and resid 119  and name HD% )
   (( segid "    " and resid 137  and name HG12))
      5.100     3.200     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.88383E-03 ppm1      7.144 ppm2      0.272 CV     1
 ASSI {  107}
   (  segid "    " and resid 119  and name HD% )
   (  segid "    " and resid 137  and name HD1%)
      3.700     1.700     1.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.18452E-02 ppm1      7.143 ppm2     -0.126 CV     1
 ASSI {  115}
   (  segid "    " and resid 119  and name HD% )
   (  segid "    " and resid 117  and name HD1%)
      3.200     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.81168E-02 ppm1      7.142 ppm2      1.003 CV     1
 ASSI {  116}
   (  segid "    " and resid 119  and name HD% )
   (  segid "    " and resid 117  and name HD2%)
      3.500     3.500     2.500 peak   116 spectrum    1 weight  0.66052E+00 volume  0.58371E-02 ppm1      7.141 ppm2      0.842 CV     1
 ASSI {  126}
   (  segid "    " and resid 127  and name HD% )
   (  segid "    " and resid 119  and name HE% )
      3.100     3.100     2.900 peak   126 spectrum    1 weight  0.67069E+00 volume  0.92580E-03 ppm1      7.250 ppm2      6.743 CV     1
 ASSI {  128}
   (  segid "    " and resid 127  and name HD% )
   (( segid "    " and resid 124  and name HB2 ))
      3.500     1.500     1.500 peak   128 spectrum    1 weight  0.73652E+00 volume  0.79345E-02 ppm1      7.251 ppm2      3.390 CV     1
 ASSI {  140}
   (  segid "    " and resid 135  and name HD% )
   (( segid "    " and resid 136  and name HN  ))
      5.100     3.200     0.900 peak   140 spectrum    1 weight  0.67365E+00 volume  0.83093E-03 ppm1      6.973 ppm2      8.380 CV     1
 ASSI {  152}
   (  segid "    " and resid 135  and name HD% )
   (  segid "    " and resid 62   and name HD1%)
      2.700     2.700     3.300 peak   152 spectrum    1 weight  0.69953E+00 volume  0.23345E-02 ppm1      6.970 ppm2      0.281 CV     1
 ASSI {  193}
   (  segid "    " and resid 148  and name HD% )
   (  segid "    " and resid 145  and name HD1%)
      2.300     2.300     3.700 peak   193 spectrum    1 weight  0.69886E+00 volume  0.51954E-02 ppm1      7.091 ppm2     -0.094 CV     1
 ASSI {  201}
   (  segid "    " and resid 148  and name HD% )
   (  segid "    " and resid 149  and name HD1%)
      3.300     3.300     2.700 peak   201 spectrum    1 weight  0.81839E+00 volume  0.11293E-01 ppm1      7.090 ppm2      0.175 CV     1
 OR {  201}
   (  segid "    " and resid 148  and name HD% )
   (  segid "    " and resid 149  and name HD2%)
 ASSI {  215}
   (  segid "    " and resid 84   and name HD% )
   (( segid "    " and resid 85   and name HN  ))
      5.100     3.200     0.900 peak   215 spectrum    1 weight  0.67190E+00 volume  0.68623E-03 ppm1      7.043 ppm2      8.669 CV     1
 ASSI {  221}
   (  segid "    " and resid 84   and name HD% )
   (( segid "    " and resid 83   and name HB2 ))
      6.000     5.700     0.000 peak   221 spectrum    1 weight  0.59089E+00 volume  0.24952E-03 ppm1      7.042 ppm2      2.110 CV     1
 ASSI {  223}
   (  segid "    " and resid 84   and name HD% )
   (( segid "    " and resid 106  and name HG2 ))
      4.500     2.500     1.500 peak   223 spectrum    1 weight  0.60555E+00 volume  0.14329E-02 ppm1      7.042 ppm2      1.207 CV     1
 OR {  223}
   (  segid "    " and resid 84   and name HD% )
   (( segid "    " and resid 106  and name HG1 ))
 ASSI {  225}
   (  segid "    " and resid 84   and name HD% )
   (  segid "    " and resid 108  and name HD2%)
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.71788E+00 volume  0.86106E-02 ppm1      7.043 ppm2      0.705 CV     1
 ASSI {  226}
   (  segid "    " and resid 84   and name HD% )
   (  segid "    " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak   226 spectrum    1 weight  0.58601E+00 volume  0.56979E-02 ppm1      7.045 ppm2      0.204 CV     1
 OR {  226}
   (  segid "    " and resid 84   and name HD% )
   (  segid "    " and resid 149  and name HD1%)
 ASSI {  254}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 108  and name HD2%)
      3.700     1.700     1.700 peak   254 spectrum    1 weight  0.62952E+00 volume  0.48674E-02 ppm1      7.111 ppm2      0.725 CV     1
 ASSI {  263}
   (  segid "    " and resid 6    and name HD% )
   (( segid "    " and resid 86   and name HB  ))
      2.600     0.800     0.800 peak   263 spectrum    1 weight  0.79135E+00 volume  0.92867E-02 ppm1      6.893 ppm2      1.819 CV     1
 ASSI {  265}
   (  segid "    " and resid 6    and name HD% )
   (  segid "    " and resid 18   and name HB% )
      3.900     1.900     1.900 peak   265 spectrum    1 weight  0.68027E+00 volume  0.12963E-02 ppm1      6.895 ppm2      0.142 CV     1
 ASSI {  290}
   (  segid "    " and resid 6    and name HE% )
   (  segid "    " and resid 149  and name HD2%)
      4.900     3.000     1.100 peak   290 spectrum    1 weight  0.56394E+00 volume  0.43969E-03 ppm1      6.912 ppm2      0.156 CV     1
 OR {  290}
   (  segid "    " and resid 6    and name HE% )
   (  segid "    " and resid 18   and name HB% )
 ASSI {  308}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   308 spectrum    1 weight  0.66893E+00 volume  0.41956E-02 ppm1      6.919 ppm2      2.476 CV     1
 ASSI {  316}
   (  segid "    " and resid 100  and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      4.300     2.400     1.700 peak   316 spectrum    1 weight  0.60781E+00 volume  0.15664E-02 ppm1      7.047 ppm2      0.587 CV     1
 ASSI {  317}
   (  segid "    " and resid 100  and name HE% )
   (  segid "    " and resid 74   and name HD2%)
      3.000     1.100     1.100 peak   317 spectrum    1 weight  0.62350E+00 volume  0.46679E-02 ppm1      7.047 ppm2      0.321 CV     1
 ASSI {  373}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 67   and name HG1 ))
      3.700     1.700     1.700 peak   373 spectrum    1 weight  0.63815E+00 volume  0.30218E-02 ppm1      6.631 ppm2      1.284 CV     1
 OR {  373}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  426}
   (  segid "    " and resid 119  and name HE% )
   (  segid "    " and resid 117  and name HD1%)
      4.100     2.100     1.900 peak   426 spectrum    1 weight  0.58545E+00 volume  0.32854E-02 ppm1      6.720 ppm2      1.003 CV     1
 ASSI {  427}
   (  segid "    " and resid 119  and name HE% )
   (( segid "    " and resid 137  and name HG12))
      6.000     6.000     0.000 peak   427 spectrum    1 weight  0.59031E+00 volume  0.15623E-03 ppm1      6.723 ppm2      0.291 CV     1
 ASSI {  428}
   (  segid "    " and resid 119  and name HE% )
   (  segid "    " and resid 137  and name HD1%)
      4.500     2.600     1.500 peak   428 spectrum    1 weight  0.54664E+00 volume  0.14487E-02 ppm1      6.721 ppm2     -0.124 CV     1
 ASSI {  443}
   (  segid "    " and resid 135  and name HE% )
   (  segid "    " and resid 62   and name HD1%)
      2.600     2.600     3.400 peak   443 spectrum    1 weight  0.62946E+00 volume  0.26484E-02 ppm1      6.573 ppm2      0.296 CV     1
 ASSI {  447}
   (( segid "    " and resid 52   and name HD2 ))
   (  segid "    " and resid 53   and name HD% )
      4.800     2.800     1.200 peak   447 spectrum    1 weight  0.53531E+00 volume  0.99749E-03 ppm1      7.117 ppm2      6.746 CV     1
 OR {  447}
   (( segid "    " and resid 52   and name HD2 ))
   (  segid "    " and resid 53   and name HE% )
 ASSI {  449}
   (( segid "    " and resid 52   and name HD2 ))
   (  segid "    " and resid 12   and name HD1%)
      4.200     2.200     1.800 peak   449 spectrum    1 weight  0.60248E+00 volume  0.12410E-02 ppm1      7.119 ppm2      0.304 CV     1
 ASSI {  454}
   (  segid "    " and resid 127  and name HE% )
   (( segid "    " and resid 126  and name HD1 ))
      5.800     4.200     0.200 peak   454 spectrum    1 weight  0.59022E+00 volume  0.13974E-03 ppm1      6.998 ppm2      5.825 CV     1
 ASSI {  456}
   (  segid "    " and resid 127  and name HE% )
   (( segid "    " and resid 124  and name HB2 ))
      5.500     3.700     0.500 peak   456 spectrum    1 weight  0.53062E+00 volume  0.30825E-04 ppm1      6.999 ppm2      3.418 CV     1
 ASSI {  480}
   (  segid "    " and resid 6    and name HD% )
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.300     1.700 peak   480 spectrum    1 weight  0.53540E+00 volume  0.65026E-03 ppm1      6.890 ppm2      3.461 CV     1
 ASSI {  481}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.700     0.000 peak   481 spectrum    1 weight  0.59007E+00 volume  0.10762E-03 ppm1      6.917 ppm2      3.459 CV     1
 ASSI {  482}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 86   and name HB  ))
      3.900     1.900     1.900 peak   482 spectrum    1 weight  0.56561E+00 volume  0.24360E-02 ppm1      6.908 ppm2      1.812 CV     1
 ASSI {  483}
   (  segid "    " and resid 127  and name HD% )
   (( segid "    " and resid 126  and name HD1 ))
      4.800     2.900     1.200 peak   483 spectrum    1 weight  0.59378E+00 volume  0.57673E-03 ppm1      7.247 ppm2      5.812 CV     1
 ASSI {  485}
   (  segid "    " and resid 127  and name HD% )
   (( segid "    " and resid 124  and name HN  ))
      6.000     5.100     0.000 peak   485 spectrum    1 weight  0.59004E+00 volume  0.10034E-03 ppm1      7.249 ppm2      9.075 CV     1
 ASSI {  486}
   (  segid "    " and resid 127  and name HD% )
   (( segid "    " and resid 124  and name HB1 ))
      2.900     1.100     1.100 peak   486 spectrum    1 weight  0.61096E+00 volume  0.42377E-02 ppm1      7.250 ppm2      2.744 CV     1
 ASSI {  487}
   (  segid "    " and resid 127  and name HE% )
   (( segid "    " and resid 126  and name HN  ))
      4.200     2.200     1.800 peak   487 spectrum    1 weight  0.59025E+00 volume  0.14537E-03 ppm1      7.007 ppm2      8.058 CV     1
 ASSI {  520}
   (  segid "    " and resid 100  and name HD% )
   (  segid "    " and resid 74   and name HD2%)
      4.600     2.700     1.400 peak   520 spectrum    1 weight  0.55070E+00 volume  0.16835E-02 ppm1      7.192 ppm2      0.341 CV     1
 ASSI {  523}
   (  segid "    " and resid 131  and name HD% )
   (( segid "    " and resid 125  and name HB1 ))
      4.400     2.400     1.600 peak   523 spectrum    1 weight  0.58573E+00 volume  0.11340E-03 ppm1      6.969 ppm2     -0.043 CV     1
 ASSI {  528}
   (  segid "    " and resid 131  and name HD% )
   (( segid "    " and resid 130  and name HA  ))
      6.000     5.400     0.000 peak   528 spectrum    1 weight  0.59024E+00 volume  0.14194E-03 ppm1      6.967 ppm2      5.143 CV     1
 ASSI {  529}
   (  segid "    " and resid 131  and name HD% )
   (( segid "    " and resid 132  and name HN  ))
      6.000     6.000     0.000 peak   529 spectrum    1 weight  0.58981E+00 volume  0.36898E-04 ppm1      6.965 ppm2      8.307 CV     1
 ASSI {  534}
   (  segid "    " and resid 127  and name HE% )
   (( segid "    " and resid 126  and name HZ2 ))
      3.200     3.200     2.800 peak   534 spectrum    1 weight  0.53641E+00 volume  0.73805E-03 ppm1      6.996 ppm2      7.512 CV     1
 ASSI {  535}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     5.300     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.40457E-03 ppm1      7.120 ppm2      5.821 CV     1
 ASSI {   49}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 92   and name HA  ))
      4.700     2.800     1.300 peak    49 spectrum    1 weight  0.54059E+00 volume  0.17233E-02 ppm1      4.555 ppm2      4.750 CV     1
 ASSI {   50}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 90   and name HA  ))
      3.200     3.200     2.800 peak    50 spectrum    1 weight  0.53732E+00 volume  0.51825E-02 ppm1      4.559 ppm2      4.653 CV     1
 ASSI {   56}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.300     1.300     1.300 peak    56 spectrum    1 weight  0.67077E+00 volume  0.69420E-02 ppm1      4.551 ppm2      2.631 CV     1
 ASSI {   65}
   (( segid "    " and resid 101  and name HB  ))
   (( segid "    " and resid 102  and name HA  ))
      5.000     3.200     1.000 peak    65 spectrum    1 weight  0.59544E+00 volume  0.11819E-02 ppm1      4.204 ppm2      4.573 CV     1
 ASSI {   68}
   (( segid "    " and resid 101  and name HB  ))
   (( segid "    " and resid 102  and name HB2 ))
      5.400     3.700     0.600 peak    68 spectrum    1 weight  0.59359E+00 volume  0.91063E-03 ppm1      4.210 ppm2      3.080 CV     1
 OR {   68}
   (( segid "    " and resid 101  and name HB  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {   76}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 106  and name HE1 ))
      6.000     6.000     0.000 peak    76 spectrum    1 weight  0.40847E+00 volume  0.17134E-04 ppm1      4.006 ppm2      2.869 CV     1
 OR {   76}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 106  and name HE2 ))
 OR {   76}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI {   93}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak    93 spectrum    1 weight  0.59394E+00 volume  0.96391E-03 ppm1      4.234 ppm2      5.252 CV     1
 ASSI {  115}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 74   and name HD2%)
      6.000     4.800     0.000 peak   115 spectrum    1 weight  0.55645E+00 volume  0.58171E-03 ppm1      4.429 ppm2      0.345 CV     1
 ASSI {  140}
   (( segid "    " and resid 134  and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.600     1.600 peak   140 spectrum    1 weight  0.51454E+00 volume  0.13571E-02 ppm1      3.820 ppm2      3.684 CV     1
 ASSI {  172}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      2.800     2.800     3.200 peak   172 spectrum    1 weight  0.34357E+00 volume  0.12228E-02 ppm1      3.802 ppm2      7.316 CV     1
 ASSI {  177}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 134  and name HA  ))
      3.500     1.500     1.500 peak   177 spectrum    1 weight  0.51172E+00 volume  0.11257E-01 ppm1      3.652 ppm2      3.546 CV     1
 ASSI {  195}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      4.500     2.600     1.500 peak   195 spectrum    1 weight  0.59542E+00 volume  0.11793E-02 ppm1      3.799 ppm2      0.335 CV     1
 ASSI {  200}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak   200 spectrum    1 weight  0.53159E+00 volume  0.37501E-03 ppm1      3.678 ppm2      7.084 CV     1
 ASSI {  201}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 131  and name HD% )
      4.600     2.600     1.400 peak   201 spectrum    1 weight  0.53853E+00 volume  0.14775E-02 ppm1      3.682 ppm2      6.990 CV     1
 OR {  201}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 135  and name HD% )
 ASSI {  212}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 58   and name HG1 ))
      4.700     2.800     1.300 peak   212 spectrum    1 weight  0.53340E+00 volume  0.74196E-03 ppm1      3.676 ppm2      1.066 CV     1
 ASSI {  213}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 137  and name HN  ))
      4.900     3.000     1.100 peak   213 spectrum    1 weight  0.38972E+00 volume  0.23831E-03 ppm1      3.516 ppm2      7.366 CV     1
 ASSI {  215}
   (( segid "    " and resid 134  and name HA  ))
   (  segid "    " and resid 137  and name HD1%)
      4.000     2.000     2.000 peak   215 spectrum    1 weight  0.52981E+00 volume  0.33042E-02 ppm1      3.517 ppm2     -0.100 CV     1
 ASSI {  229}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      5.700     4.000     0.300 peak   229 spectrum    1 weight  0.59083E+00 volume  0.39241E-03 ppm1      3.749 ppm2      8.749 CV     1
 ASSI {  238}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     5.100     0.000 peak   238 spectrum    1 weight  0.41546E+00 volume  0.70185E-04 ppm1      3.777 ppm2      8.875 CV     1
 ASSI {  239}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      5.500     3.700     0.500 peak   239 spectrum    1 weight  0.42157E+00 volume  0.19478E-03 ppm1      3.777 ppm2      7.588 CV     1
 OR {  239}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  257}
   (( segid "    " and resid 142  and name HA  ))
   (( segid "    " and resid 145  and name HN  ))
      3.400     1.500     1.500 peak   257 spectrum    1 weight  0.61325E+00 volume  0.30422E-02 ppm1      3.933 ppm2      9.146 CV     1
 ASSI {  273}
   (( segid "    " and resid 142  and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     5.400     0.000 peak   273 spectrum    1 weight  0.42325E+00 volume  0.11170E-03 ppm1      3.943 ppm2      3.320 CV     1
 ASSI {  278}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.700     2.700     1.300 peak   278 spectrum    1 weight  0.58591E+00 volume  0.82537E-03 ppm1      4.360 ppm2      4.707 CV     1
 OR {  278}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
 ASSI {  285}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      4.600     2.700     1.400 peak   285 spectrum    1 weight  0.59912E+00 volume  0.16482E-02 ppm1      4.357 ppm2      0.621 CV     1
 OR {  285}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  286}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      4.600     2.600     1.400 peak   286 spectrum    1 weight  0.60188E+00 volume  0.30210E-02 ppm1      4.359 ppm2      0.338 CV     1
 ASSI {  290}
   (( segid "    " and resid 142  and name HA  ))
   (  segid "    " and resid 6    and name HE% )
      5.200     3.300     0.800 peak   290 spectrum    1 weight  0.37220E+00 volume  0.28433E-03 ppm1      3.943 ppm2      6.905 CV     1
 ASSI {  292}
   (( segid "    " and resid 142  and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      3.000     3.000     3.000 peak   292 spectrum    1 weight  0.45690E+00 volume  0.73596E-02 ppm1      3.939 ppm2      0.135 CV     1
 ASSI {  302}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HD1 ))
      6.000     4.900     0.000 peak   302 spectrum    1 weight  0.28029E+00 volume  0.12470E-03 ppm1      4.761 ppm2      3.139 CV     1
 OR {  302}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  305}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak   305 spectrum    1 weight  0.56229E+00 volume  0.10233E-02 ppm1      4.357 ppm2      9.314 CV     1
 ASSI {  317}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   317 spectrum    1 weight  0.59272E+00 volume  0.76659E-03 ppm1      3.783 ppm2      8.540 CV     1
 ASSI {  402}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.500     1.600 peak   402 spectrum    1 weight  0.53614E+00 volume  0.60558E-03 ppm1      4.383 ppm2      8.593 CV     1
 OR {  402}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  440}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 114  and name HA  ))
      3.500     3.500     2.500 peak   440 spectrum    1 weight  0.41776E+00 volume  0.61955E-02 ppm1      4.242 ppm2      4.979 CV     1
 ASSI {  445}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      5.100     3.300     0.900 peak   445 spectrum    1 weight  0.46836E+00 volume  0.46533E-03 ppm1      4.030 ppm2      2.505 CV     1
 OR {  445}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  450}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     6.000     0.000 peak   450 spectrum    1 weight  0.58982E+00 volume  0.69365E-04 ppm1      3.243 ppm2      3.458 CV     1
 OR {  450}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 115  and name HD2 ))
 ASSI {  460}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      5.800     4.300     0.200 peak   460 spectrum    1 weight  0.45832E+00 volume  0.19774E-03 ppm1      4.406 ppm2      4.612 CV     1
 ASSI {  468}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.600     1.600     1.600 peak   468 spectrum    1 weight  0.45204E+00 volume  0.11113E-02 ppm1      4.219 ppm2      3.092 CV     1
 ASSI {  471}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 119  and name HE% )
      6.000     6.000     0.000 peak   471 spectrum    1 weight  0.48434E+00 volume  0.11798E-03 ppm1      4.213 ppm2      6.718 CV     1
 ASSI {  479}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      5.000     3.200     1.000 peak   479 spectrum    1 weight  0.58531E+00 volume  0.61011E-03 ppm1      4.216 ppm2      4.582 CV     1
 ASSI {  493}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 138  and name HN  ))
      4.100     2.100     1.900 peak   493 spectrum    1 weight  0.59382E+00 volume  0.94645E-03 ppm1      3.861 ppm2      8.175 CV     1
 ASSI {  497}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 138  and name HD1%)
      3.700     1.700     1.700 peak   497 spectrum    1 weight  0.57574E+00 volume  0.47020E-02 ppm1      3.864 ppm2      0.720 CV     1
 ASSI {  548}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      4.000     2.000     2.000 peak   548 spectrum    1 weight  0.52134E+00 volume  0.62890E-03 ppm1      4.117 ppm2      3.075 CV     1
 OR {  548}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 102  and name HB2 ))
 ASSI {  571}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     0.900     0.900 peak   571 spectrum    1 weight  0.65218E+00 volume  0.58348E-02 ppm1      5.185 ppm2      9.182 CV     1
 ASSI {  572}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.500     1.500 peak   572 spectrum    1 weight  0.55765E+00 volume  0.33427E-02 ppm1      5.183 ppm2      5.341 CV     1
 OR {  572}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  576}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      4.800     2.900     1.200 peak   576 spectrum    1 weight  0.59704E+00 volume  0.13941E-02 ppm1      5.181 ppm2      2.636 CV     1
 ASSI {  581}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HA  ))
      5.700     4.100     0.300 peak   581 spectrum    1 weight  0.52147E+00 volume  0.25844E-03 ppm1      4.414 ppm2      4.903 CV     1
 ASSI {  605}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HA  ))
      4.300     2.300     1.700 peak   605 spectrum    1 weight  0.50718E+00 volume  0.14300E-02 ppm1      5.185 ppm2      5.061 CV     1
 ASSI {  609}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      5.200     3.300     0.800 peak   609 spectrum    1 weight  0.59346E+00 volume  0.89000E-03 ppm1      4.409 ppm2      3.076 CV     1
 OR {  609}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HB2 ))
 ASSI {  630}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.800     1.300 peak   630 spectrum    1 weight  0.59084E+00 volume  0.39499E-03 ppm1      3.746 ppm2      8.702 CV     1
 ASSI {  638}
   (( segid "    " and resid 139  and name HB1 ))
   (  segid "    " and resid 135  and name HE% )
      5.700     4.000     0.300 peak   638 spectrum    1 weight  0.66688E+00 volume  0.13345E-03 ppm1      3.421 ppm2      6.594 CV     1
 ASSI {  655}
   (( segid "    " and resid 139  and name HB2 ))
   (  segid "    " and resid 135  and name HE% )
      4.400     2.500     1.600 peak   655 spectrum    1 weight  0.57889E+00 volume  0.55103E-03 ppm1      2.949 ppm2      6.577 CV     1
 ASSI {  656}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.200     0.600     0.600 peak   656 spectrum    1 weight  0.75361E+00 volume  0.11102E-01 ppm1      5.446 ppm2      9.156 CV     1
 ASSI {  657}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.800     1.800     1.800 peak   657 spectrum    1 weight  0.59454E+00 volume  0.10541E-02 ppm1      5.447 ppm2      8.717 CV     1
 ASSI {  659}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 84   and name HA  ))
      3.300     3.300     2.700 peak   659 spectrum    1 weight  0.57862E+00 volume  0.49389E-03 ppm1      5.447 ppm2      5.161 CV     1
 OR {  659}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  660}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     6.000     0.000 peak   660 spectrum    1 weight  0.52759E+00 volume  0.34141E-04 ppm1      5.445 ppm2      5.054 CV     1
 ASSI {  679}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.900     1.100     1.100 peak   679 spectrum    1 weight  0.48847E+00 volume  0.72221E-02 ppm1      3.827 ppm2      1.138 CV     1
 OR {  679}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 134  and name HG2%)
 ASSI {  695}
   (( segid "    " and resid 150  and name HA  ))
   (  segid "    " and resid 149  and name HD2%)
      3.500     3.500     2.500 peak   695 spectrum    1 weight  0.54706E+00 volume  0.34934E-03 ppm1      4.437 ppm2      0.223 CV     1
 OR {  695}
   (( segid "    " and resid 150  and name HA  ))
   (  segid "    " and resid 149  and name HD1%)
 ASSI {  709}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      4.000     2.000     2.000 peak   709 spectrum    1 weight  0.60862E+00 volume  0.26287E-02 ppm1      3.273 ppm2      0.523 CV     1
 ASSI {  710}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     6.000     0.000 peak   710 spectrum    1 weight  0.58996E+00 volume  0.13242E-03 ppm1      3.265 ppm2      6.660 CV     1
 ASSI {  711}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak   711 spectrum    1 weight  0.59353E+00 volume  0.89997E-03 ppm1      5.514 ppm2      8.760 CV     1
 ASSI {  712}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   712 spectrum    1 weight  0.60590E+00 volume  0.23691E-02 ppm1      5.515 ppm2      7.925 CV     1
 ASSI {  724}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.200     0.600     0.600 peak   724 spectrum    1 weight  0.69804E+00 volume  0.84232E-02 ppm1      4.528 ppm2      8.403 CV     1
 ASSI {  741}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 123  and name HD1 ))
      2.900     1.100     1.100 peak   741 spectrum    1 weight  0.63860E+00 volume  0.49543E-02 ppm1      4.086 ppm2      3.284 CV     1
 ASSI {  744}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 137  and name HG2%)
      4.300     2.300     1.700 peak   744 spectrum    1 weight  0.53817E+00 volume  0.14324E-02 ppm1      4.084 ppm2      0.669 CV     1
 ASSI {  745}
   (( segid "    " and resid 122  and name HA  ))
   (  segid "    " and resid 137  and name HD1%)
      4.000     2.000     2.000 peak   745 spectrum    1 weight  0.61610E+00 volume  0.32834E-02 ppm1      4.084 ppm2     -0.104 CV     1
 ASSI {  762}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 55   and name HG2%)
      3.300     1.300     1.300 peak   762 spectrum    1 weight  0.65278E+00 volume  0.91296E-02 ppm1      3.650 ppm2      1.217 CV     1
 ASSI {  772}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.300     2.300     1.700 peak   772 spectrum    1 weight  0.58589E+00 volume  0.18186E-02 ppm1      5.517 ppm2      5.359 CV     1
 OR {  772}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
 OR {  772}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 41   and name HA2 ))
 ASSI {  774}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      5.200     3.300     0.800 peak   774 spectrum    1 weight  0.57057E+00 volume  0.54156E-03 ppm1      4.533 ppm2      4.718 CV     1
 ASSI {  775}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.300     1.300 peak   775 spectrum    1 weight  0.59876E+00 volume  0.16059E-02 ppm1      4.522 ppm2      7.425 CV     1
 ASSI {  785}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 32   and name HG2 ))
      3.500     1.500     1.500 peak   785 spectrum    1 weight  0.44913E+00 volume  0.31526E-02 ppm1      4.207 ppm2      2.292 CV     1
 OR {  785}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      4.200     2.200     1.800 peak   815 spectrum    1 weight  0.59355E+00 volume  0.90312E-03 ppm1      4.079 ppm2      8.528 CV     1
 ASSI {  816}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   816 spectrum    1 weight  0.55504E+00 volume  0.31243E-02 ppm1      4.075 ppm2      2.640 CV     1
 ASSI {  831}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 97   and name HD2%)
      3.600     3.600     2.400 peak   831 spectrum    1 weight  0.71112E+00 volume  0.90881E-02 ppm1      3.878 ppm2      0.409 CV     1
 ASSI {  837}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.100     0.500     0.500 peak   837 spectrum    1 weight  0.77853E+00 volume  0.12200E-01 ppm1      5.355 ppm2      9.157 CV     1
 ASSI {  845}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 127  and name HE% )
      5.100     3.200     0.900 peak   845 spectrum    1 weight  0.59300E+00 volume  0.97310E-03 ppm1      5.262 ppm2      6.999 CV     1
 ASSI {  851}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      4.700     2.800     1.300 peak   851 spectrum    1 weight  0.56305E+00 volume  0.14640E-02 ppm1      4.743 ppm2      0.270 CV     1
 ASSI {  852}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   852 spectrum    1 weight  0.67173E+00 volume  0.69964E-02 ppm1      4.738 ppm2      8.563 CV     1
 ASSI {  860}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      5.400     3.600     0.600 peak   860 spectrum    1 weight  0.54534E+00 volume  0.62183E-03 ppm1      4.445 ppm2      5.452 CV     1
 ASSI {  863}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     5.500     0.000 peak   863 spectrum    1 weight  0.50054E+00 volume  0.18776E-03 ppm1      3.492 ppm2      2.635 CV     1
 ASSI {  867}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB  ))
      6.000     5.100     0.000 peak   867 spectrum    1 weight  0.39833E+00 volume  0.20814E-03 ppm1      5.385 ppm2      4.588 CV     1
 OR {  867}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
 ASSI {  874}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.800     3.800     2.200 peak   874 spectrum    1 weight  0.55144E+00 volume  0.29870E-02 ppm1      4.816 ppm2      7.436 CV     1
 ASSI {  877}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak   877 spectrum    1 weight  0.59529E+00 volume  0.11620E-02 ppm1      4.745 ppm2      9.409 CV     1
 ASSI {  885}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      4.900     3.000     1.100 peak   885 spectrum    1 weight  0.59265E+00 volume  0.75490E-03 ppm1      4.450 ppm2      7.420 CV     1
 ASSI {  888}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      1.500     0.300     0.700 peak   888 spectrum    1 weight  0.86391E+00 volume  0.19474E-01 ppm1      4.455 ppm2      2.091 CV     1
 ASSI {  889}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      1.800     0.400     0.400 peak   889 spectrum    1 weight  0.86391E+00 volume  0.20585E-01 ppm1      4.454 ppm2      1.984 CV     1
 ASSI {  890}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 3    and name HD1 ))
      4.000     2.000     2.000 peak   890 spectrum    1 weight  0.52986E+00 volume  0.46766E-02 ppm1      4.451 ppm2      1.733 CV     1
 ASSI {  892}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 3    and name HG2 ))
      4.600     2.700     1.400 peak   892 spectrum    1 weight  0.60173E+00 volume  0.19419E-02 ppm1      4.453 ppm2      1.374 CV     1
 ASSI {  895}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     5.000     0.000 peak   895 spectrum    1 weight  0.54623E+00 volume  0.68691E-04 ppm1      3.481 ppm2      8.606 CV     1
 OR {  895}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  903}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      4.800     2.900     1.200 peak   903 spectrum    1 weight  0.59155E+00 volume  0.55069E-03 ppm1      3.483 ppm2      0.140 CV     1
 ASSI {  907}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.800     3.800     2.200 peak   907 spectrum    1 weight  0.48382E+00 volume  0.32443E-02 ppm1      4.822 ppm2      7.305 CV     1
 ASSI {  911}
   (( segid "    " and resid 133  and name HA  ))
   (  segid "    " and resid 137  and name HD1%)
      4.900     3.000     1.100 peak   911 spectrum    1 weight  0.59097E+00 volume  0.42523E-03 ppm1      3.927 ppm2     -0.100 CV     1
 ASSI {  913}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak   913 spectrum    1 weight  0.60680E+00 volume  0.24562E-02 ppm1      3.845 ppm2      7.530 CV     1
 ASSI {  916}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 100  and name HE% )
      2.900     1.100     1.100 peak   916 spectrum    1 weight  0.55808E+00 volume  0.35000E-02 ppm1      3.846 ppm2      7.083 CV     1
 ASSI {  918}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      4.900     3.000     1.100 peak   918 spectrum    1 weight  0.53534E+00 volume  0.10509E-02 ppm1      3.846 ppm2      3.102 CV     1
 ASSI {  922}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak   922 spectrum    1 weight  0.57528E+00 volume  0.46700E-02 ppm1      5.740 ppm2      8.771 CV     1
 ASSI {  925}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      4.200     2.200     1.800 peak   925 spectrum    1 weight  0.60170E+00 volume  0.19382E-02 ppm1      5.744 ppm2      4.815 CV     1
 ASSI {  928}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      4.200     2.200     1.800 peak   928 spectrum    1 weight  0.60250E+00 volume  0.20236E-02 ppm1      5.742 ppm2      2.773 CV     1
 ASSI {  931}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.900     1.100     1.100 peak   931 spectrum    1 weight  0.69070E+00 volume  0.80380E-02 ppm1      5.743 ppm2      0.590 CV     1
 OR {  931}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  937}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.400     1.500     1.500 peak   937 spectrum    1 weight  0.60151E+00 volume  0.19183E-02 ppm1      4.836 ppm2      0.616 CV     1
 OR {  937}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  938}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      5.300     3.500     0.700 peak   938 spectrum    1 weight  0.59160E+00 volume  0.56096E-03 ppm1      4.844 ppm2      0.342 CV     1
 ASSI {  948}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     2.600     3.400 peak   948 spectrum    1 weight  0.49723E+00 volume  0.40220E-02 ppm1      4.836 ppm2      4.503 CV     1
 OR {  948}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
 OR {  948}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  957}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak   957 spectrum    1 weight  0.59281E+00 volume  0.15129E-02 ppm1      4.555 ppm2      8.263 CV     1
 ASSI {  961}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 58   and name HG1 ))
      4.400     2.500     1.600 peak   961 spectrum    1 weight  0.57023E+00 volume  0.34695E-03 ppm1      4.395 ppm2      1.085 CV     1
 ASSI {  976}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HA  ))
      4.800     2.900     1.200 peak   976 spectrum    1 weight  0.51326E+00 volume  0.54914E-03 ppm1      3.705 ppm2      3.556 CV     1
 OR {  976}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI {  986}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800 peak   986 spectrum    1 weight  0.61165E+00 volume  0.52575E-02 ppm1      5.373 ppm2      9.199 CV     1
 ASSI { 1002}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1002 spectrum    1 weight  0.59014E+00 volume  0.20146E-03 ppm1      4.405 ppm2      7.120 CV     1
 OR { 1002}
   (( segid "    " and resid 132  and name HA  ))
   (  segid "    " and resid 119  and name HD% )
 ASSI { 1008}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      4.700     2.800     1.300 peak  1008 spectrum    1 weight  0.59136E+00 volume  0.50995E-03 ppm1      4.267 ppm2      0.324 CV     1
 ASSI { 1012}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.700     1.700 peak  1012 spectrum    1 weight  0.59505E+00 volume  0.11273E-02 ppm1      4.107 ppm2      8.251 CV     1
 ASSI { 1019}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.500     1.600 peak  1019 spectrum    1 weight  0.51193E+00 volume  0.52665E-03 ppm1      3.955 ppm2      8.685 CV     1
 ASSI { 1026}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 149  and name HD2%)
      3.400     1.400     1.400 peak  1026 spectrum    1 weight  0.60865E+00 volume  0.38224E-02 ppm1      3.696 ppm2      0.247 CV     1
 ASSI { 1030}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  1030 spectrum    1 weight  0.53267E+00 volume  0.60714E-03 ppm1      5.368 ppm2      9.086 CV     1
 ASSI { 1046}
   (( segid "    " and resid 132  and name HA  ))
   (  segid "    " and resid 135  and name HD% )
      4.200     2.200     1.800 peak  1046 spectrum    1 weight  0.42536E+00 volume  0.10719E-02 ppm1      4.395 ppm2      7.000 CV     1
 ASSI { 1048}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 58   and name HE2 ))
      3.200     1.200     1.200 peak  1048 spectrum    1 weight  0.62926E+00 volume  0.43012E-02 ppm1      4.401 ppm2      2.388 CV     1
 ASSI { 1050}
   (( segid "    " and resid 132  and name HA  ))
   (( segid "    " and resid 58   and name HD1 ))
      3.500     1.500     1.500 peak  1050 spectrum    1 weight  0.57707E+00 volume  0.47941E-02 ppm1      4.400 ppm2      1.552 CV     1
 ASSI { 1056}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      4.500     2.500     1.500 peak  1056 spectrum    1 weight  0.51942E+00 volume  0.99743E-03 ppm1      4.094 ppm2      0.558 CV     1
 OR { 1056}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 146  and name HD2%)
 ASSI { 1057}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.000     0.000 peak  1057 spectrum    1 weight  0.59045E+00 volume  0.29503E-03 ppm1      3.960 ppm2      7.555 CV     1
 ASSI { 1071}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 62   and name HD1%)
      4.500     2.600     1.500 peak  1071 spectrum    1 weight  0.58891E+00 volume  0.19245E-02 ppm1      3.774 ppm2      0.309 CV     1
 ASSI { 1084}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      1.800     1.800     4.200 peak  1084 spectrum    1 weight  0.61636E+00 volume  0.18320E-01 ppm1      4.606 ppm2      4.422 CV     1
 ASSI { 1093}
   (( segid "    " and resid 145  and name HA  ))
   (  segid "    " and resid 149  and name HD2%)
      5.500     3.700     0.500 peak  1093 spectrum    1 weight  0.54280E+00 volume  0.28511E-03 ppm1      3.527 ppm2      0.196 CV     1
 OR { 1093}
   (( segid "    " and resid 145  and name HA  ))
   (  segid "    " and resid 149  and name HD1%)
 ASSI { 1094}
   (( segid "    " and resid 145  and name HA  ))
   (  segid "    " and resid 148  and name HD% )
      4.000     2.000     2.000 peak  1094 spectrum    1 weight  0.59841E+00 volume  0.15636E-02 ppm1      3.521 ppm2      7.117 CV     1
 ASSI { 1110}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     6.000     0.000 peak  1110 spectrum    1 weight  0.53073E+00 volume  0.10899E-03 ppm1      5.306 ppm2      2.549 CV     1
 OR { 1110}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1116}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      5.400     3.700     0.600 peak  1116 spectrum    1 weight  0.58031E+00 volume  0.28492E-03 ppm1      5.301 ppm2      2.624 CV     1
 ASSI { 1119}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
      4.500     2.500     1.500 peak  1119 spectrum    1 weight  0.46635E+00 volume  0.10316E-02 ppm1      4.229 ppm2      4.492 CV     1
 ASSI { 1129}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 9    and name HD1%)
      6.000     4.600     0.000 peak  1129 spectrum    1 weight  0.54450E+00 volume  0.48010E-03 ppm1      5.309 ppm2      1.086 CV     1
 OR { 1129}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI { 1132}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      4.900     3.000     1.100 peak  1132 spectrum    1 weight  0.51712E+00 volume  0.61074E-03 ppm1      5.136 ppm2      4.654 CV     1
 ASSI { 1166}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak  1166 spectrum    1 weight  0.59020E+00 volume  0.15468E-02 ppm1      5.559 ppm2      8.870 CV     1
 ASSI { 1204}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.900     1.900     1.900 peak  1204 spectrum    1 weight  0.60111E+00 volume  0.18740E-02 ppm1      4.442 ppm2      7.436 CV     1
 ASSI { 1228}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      5.400     3.700     0.600 peak  1228 spectrum    1 weight  0.42929E+00 volume  0.75933E-03 ppm1      5.484 ppm2      2.727 CV     1
 OR { 1228}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 OR { 1228}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
 ASSI { 1239}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 125  and name HB2 ))
      4.200     2.200     1.800 peak  1239 spectrum    1 weight  0.50917E+00 volume  0.30941E-02 ppm1      4.735 ppm2      1.067 CV     1
 ASSI { 1242}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 84   and name HA  ))
      3.700     1.700     1.700 peak  1242 spectrum    1 weight  0.61418E+00 volume  0.31220E-02 ppm1      4.654 ppm2      5.145 CV     1
 ASSI { 1264}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.600     1.600 peak  1264 spectrum    1 weight  0.63226E+00 volume  0.45159E-02 ppm1      3.944 ppm2      4.826 CV     1
 OR { 1264}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 1264}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1266}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 148  and name HD% )
      3.600     1.600     1.600 peak  1266 spectrum    1 weight  0.60153E+00 volume  0.19201E-02 ppm1      3.774 ppm2      7.118 CV     1
 ASSI { 1271}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 145  and name HD1%)
      3.800     3.800     2.200 peak  1271 spectrum    1 weight  0.59019E+00 volume  0.21587E-03 ppm1      3.779 ppm2     -0.071 CV     1
 ASSI { 1274}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.200     0.600     0.600 peak  1274 spectrum    1 weight  0.62707E+00 volume  0.77993E-02 ppm1      5.460 ppm2      9.407 CV     1
 ASSI { 1288}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HB1 ))
      3.700     1.700     1.700 peak  1288 spectrum    1 weight  0.54286E+00 volume  0.19741E-02 ppm1      4.972 ppm2      3.095 CV     1
 OR { 1288}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 1317}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.600     0.000 peak  1317 spectrum    1 weight  0.57971E+00 volume  0.32369E-03 ppm1      5.463 ppm2      4.470 CV     1
 ASSI { 1321}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
      4.600     2.600     1.400 peak  1321 spectrum    1 weight  0.56450E+00 volume  0.58909E-03 ppm1      4.980 ppm2      3.619 CV     1
 OR { 1321}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
 ASSI { 1349}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 87   and name HA  ))
      4.400     2.400     1.600 peak  1349 spectrum    1 weight  0.53309E+00 volume  0.68688E-03 ppm1      5.042 ppm2      5.175 CV     1
 OR { 1349}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1360}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 119  and name HE% )
      5.800     4.300     0.200 peak  1360 spectrum    1 weight  0.42925E+00 volume  0.23742E-03 ppm1      4.672 ppm2      6.755 CV     1
 ASSI { 1371}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  1371 spectrum    1 weight  0.54202E+00 volume  0.18827E-02 ppm1      4.588 ppm2      9.158 CV     1
 ASSI { 1380}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      3.600     1.600     1.600 peak  1380 spectrum    1 weight  0.44005E+00 volume  0.64120E-02 ppm1      4.323 ppm2      4.775 CV     1
 ASSI { 1392}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB  ))
      2.600     0.800     0.800 peak  1392 spectrum    1 weight  0.73883E+00 volume  0.11006E-01 ppm1      4.652 ppm2      2.291 CV     1
 ASSI { 1395}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 145  and name HN  ))
      3.700     1.700     1.700 peak  1395 spectrum    1 weight  0.54353E+00 volume  0.20455E-02 ppm1      4.646 ppm2      9.149 CV     1
 ASSI { 1402}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
      5.100     3.200     0.900 peak  1402 spectrum    1 weight  0.57625E+00 volume  0.84835E-03 ppm1      4.188 ppm2      2.311 CV     1
 ASSI { 1405}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     1.900     1.900 peak  1405 spectrum    1 weight  0.59671E+00 volume  0.13524E-02 ppm1      4.831 ppm2      2.526 CV     1
 ASSI { 1423}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 114  and name HA  ))
      3.500     3.500     2.500 peak  1423 spectrum    1 weight  0.59729E+00 volume  0.14258E-02 ppm1      4.173 ppm2      4.966 CV     1
 ASSI { 1429}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     6.000     0.000 peak  1429 spectrum    1 weight  0.53058E+00 volume  0.17339E-04 ppm1      4.163 ppm2      9.138 CV     1
 ASSI { 1439}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 41   and name HA2 ))
      6.000     5.000     0.000 peak  1439 spectrum    1 weight  0.66725E+00 volume  0.25746E-03 ppm1      3.883 ppm2      5.332 CV     1
 ASSI { 1441}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 41   and name HA1 ))
      4.700     2.800     1.300 peak  1441 spectrum    1 weight  0.53461E+00 volume  0.94058E-03 ppm1      3.884 ppm2      3.604 CV     1
 OR { 1441}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1443}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak  1443 spectrum    1 weight  0.59926E+00 volume  0.16650E-02 ppm1      3.587 ppm2      7.378 CV     1
 ASSI { 1450}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.200     3.200     2.800 peak  1450 spectrum    1 weight  0.59137E+00 volume  0.51313E-03 ppm1      3.578 ppm2      3.338 CV     1
 ASSI { 1451}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      2.700     2.700     3.300 peak  1451 spectrum    1 weight  0.59952E+00 volume  0.16951E-02 ppm1      3.582 ppm2      0.521 CV     1
 ASSI { 1461}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.200     0.600     0.600 peak  1461 spectrum    1 weight  0.66135E+00 volume  0.63930E-02 ppm1      4.723 ppm2      9.304 CV     1
 ASSI { 1466}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      5.700     4.000     0.300 peak  1466 spectrum    1 weight  0.59329E+00 volume  0.86284E-03 ppm1      4.723 ppm2      0.636 CV     1
 OR { 1466}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 OR { 1466}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1467}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  1467 spectrum    1 weight  0.66267E+00 volume  0.75151E-02 ppm1      4.432 ppm2      5.140 CV     1
 ASSI { 1478}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      5.300     3.500     0.700 peak  1478 spectrum    1 weight  0.59073E+00 volume  0.36653E-03 ppm1      4.049 ppm2      5.569 CV     1
 ASSI { 1490}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak  1490 spectrum    1 weight  0.59138E+00 volume  0.95636E-03 ppm1      3.310 ppm2      8.876 CV     1
 ASSI { 1491}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1491 spectrum    1 weight  0.59734E+00 volume  0.14323E-02 ppm1      3.315 ppm2      8.618 CV     1
 ASSI { 1492}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.500     2.600     1.500 peak  1492 spectrum    1 weight  0.59078E+00 volume  0.37968E-03 ppm1      3.313 ppm2      8.167 CV     1
 ASSI { 1500}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.800     1.000     1.000 peak  1500 spectrum    1 weight  0.63300E+00 volume  0.45682E-02 ppm1      3.312 ppm2      0.523 CV     1
 ASSI { 1511}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  1511 spectrum    1 weight  0.52512E+00 volume  0.57056E-03 ppm1      4.719 ppm2      8.750 CV     1
 ASSI { 1514}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      5.100     3.200     0.900 peak  1514 spectrum    1 weight  0.57233E+00 volume  0.13141E-02 ppm1      4.716 ppm2      0.793 CV     1
 OR { 1514}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1521}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      3.300     1.400     1.400 peak  1521 spectrum    1 weight  0.59412E+00 volume  0.99174E-03 ppm1      4.434 ppm2      8.048 CV     1
 ASSI { 1538}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak  1538 spectrum    1 weight  0.52892E+00 volume  0.92935E-03 ppm1      4.887 ppm2      7.211 CV     1
 ASSI { 1572}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      5.600     3.900     0.400 peak  1572 spectrum    1 weight  0.59071E+00 volume  0.36236E-03 ppm1      4.889 ppm2      7.090 CV     1
 ASSI { 1600}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     2.400     3.600 peak  1600 spectrum    1 weight  0.67295E+00 volume  0.23648E-01 ppm1      4.536 ppm2      2.625 CV     1
 ASSI { 1614}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      5.400     3.600     0.600 peak  1614 spectrum    1 weight  0.59073E+00 volume  0.36733E-03 ppm1      4.889 ppm2      5.438 CV     1
 ASSI { 1618}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     6.000     0.000 peak  1618 spectrum    1 weight  0.58983E+00 volume  0.72889E-04 ppm1      4.807 ppm2      2.511 CV     1
 OR { 1618}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR { 1618}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
 ASSI { 1631}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     5.300     0.000 peak  1631 spectrum    1 weight  0.60034E+00 volume  0.12871E-03 ppm1      5.050 ppm2      5.444 CV     1
 ASSI { 1635}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak  1635 spectrum    1 weight  0.69048E+00 volume  0.80265E-02 ppm1      5.052 ppm2      9.100 CV     1
 ASSI { 1649}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      4.000     2.000     2.000 peak  1649 spectrum    1 weight  0.41479E+00 volume  0.14674E-02 ppm1      5.066 ppm2      0.600 CV     1
 ASSI { 1650}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.500     1.500 peak  1650 spectrum    1 weight  0.58316E+00 volume  0.93800E-03 ppm1      4.826 ppm2      4.532 CV     1
 ASSI { 1651}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      4.900     3.100     1.100 peak  1651 spectrum    1 weight  0.51362E+00 volume  0.73241E-03 ppm1      4.821 ppm2      5.748 CV     1
 ASSI { 1655}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak  1655 spectrum    1 weight  0.59133E+00 volume  0.50522E-03 ppm1      4.809 ppm2      8.542 CV     1
 ASSI { 1662}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      5.900     4.300     0.100 peak  1662 spectrum    1 weight  0.55113E+00 volume  0.21210E-03 ppm1      5.139 ppm2      5.287 CV     1
 ASSI { 1675}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.300     0.700     0.700 peak  1675 spectrum    1 weight  0.64548E+00 volume  0.54096E-02 ppm1      4.820 ppm2      8.669 CV     1
 ASSI { 1687}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.000     2.000 peak  1687 spectrum    1 weight  0.48977E+00 volume  0.36571E-02 ppm1      4.589 ppm2      4.749 CV     1
 ASSI { 1709}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.200     2.200     1.800 peak  1709 spectrum    1 weight  0.50000E+00 volume  0.14296E-02 ppm1      4.607 ppm2      2.532 CV     1
 OR { 1709}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 1713}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.200     2.200     1.800 peak  1713 spectrum    1 weight  0.55303E+00 volume  0.16250E-02 ppm1      4.600 ppm2      3.413 CV     1
 ASSI { 1716}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HA2 ))
      6.000     4.900     0.000 peak  1716 spectrum    1 weight  0.59013E+00 volume  0.19581E-03 ppm1      4.585 ppm2      5.329 CV     1
 ASSI { 1733}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
      4.200     2.200     1.800 peak  1733 spectrum    1 weight  0.47239E+00 volume  0.33662E-02 ppm1      4.736 ppm2      1.145 CV     1
 ASSI { 1743}
   (( segid "    " and resid 115  and name HD2 ))
   (( segid "    " and resid 114  and name HA  ))
      2.400     0.700     0.700 peak  1743 spectrum    1 weight  0.65309E+00 volume  0.58914E-02 ppm1      3.470 ppm2      4.977 CV     1
 ASSI { 1758}
   (( segid "    " and resid 123  and name HD2 ))
   (  segid "    " and resid 137  and name HD1%)
      3.700     1.700     1.700 peak  1758 spectrum    1 weight  0.63603E+00 volume  0.47793E-02 ppm1      3.287 ppm2     -0.101 CV     1
 OR { 1758}
   (( segid "    " and resid 123  and name HD1 ))
   (  segid "    " and resid 137  and name HD1%)
 ASSI { 1770}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      5.200     3.400     0.800 peak  1770 spectrum    1 weight  0.54127E+00 volume  0.17995E-02 ppm1      4.743 ppm2      0.590 CV     1
 OR { 1770}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1797}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     5.100     0.000 peak  1797 spectrum    1 weight  0.37070E+00 volume  0.14706E-03 ppm1      3.165 ppm2      4.785 CV     1
 ASSI { 1825}
   (( segid "    " and resid 125  and name HD2 ))
   (  segid "    " and resid 134  and name HG2%)
      5.900     4.300     0.100 peak  1825 spectrum    1 weight  0.53168E+00 volume  0.36979E-03 ppm1      4.195 ppm2      1.134 CV     1
 ASSI { 1828}
   (( segid "    " and resid 125  and name HD1 ))
   (  segid "    " and resid 134  and name HG2%)
      5.100     3.200     0.900 peak  1828 spectrum    1 weight  0.53489E+00 volume  0.87736E-03 ppm1      4.105 ppm2      1.124 CV     1
 ASSI { 1841}
   (( segid "    " and resid 108  and name HB1 ))
   (  segid "    " and resid 86   and name HD1%)
      4.500     2.600     1.500 peak  1841 spectrum    1 weight  0.59953E+00 volume  0.16965E-02 ppm1      1.685 ppm2      0.452 CV     1
 ASSI { 1843}
   (( segid "    " and resid 108  and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      3.900     1.900     1.900 peak  1843 spectrum    1 weight  0.59410E+00 volume  0.98814E-03 ppm1      1.575 ppm2      0.459 CV     1
 ASSI { 1850}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 12   and name HG11))
      3.600     1.600     1.600 peak  1850 spectrum    1 weight  0.56016E+00 volume  0.10256E-02 ppm1      4.299 ppm2      0.533 CV     1
 ASSI { 1859}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     4.700     0.000 peak  1859 spectrum    1 weight  0.58393E+00 volume  0.22736E-03 ppm1      4.309 ppm2      0.340 CV     1
 ASSI { 1860}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 127  and name HE% )
      3.200     1.300     1.300 peak  1860 spectrum    1 weight  0.62781E+00 volume  0.41949E-02 ppm1      4.298 ppm2      6.973 CV     1
 ASSI { 1863}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 8    and name HB1 ))
      6.000     6.000     0.000 peak  1863 spectrum    1 weight  0.53058E+00 volume  0.17095E-04 ppm1      4.293 ppm2      3.464 CV     1
 OR { 1863}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1866}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     5.200     0.000 peak  1866 spectrum    1 weight  0.59018E+00 volume  0.21258E-03 ppm1      3.737 ppm2      0.325 CV     1
 ASSI { 1867}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 127  and name HE% )
      4.000     2.000     2.000 peak  1867 spectrum    1 weight  0.62465E+00 volume  0.42699E-02 ppm1      3.733 ppm2      6.972 CV     1
 ASSI { 1870}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 41   and name HA1 ))
      5.100     3.300     0.900 peak  1870 spectrum    1 weight  0.57772E+00 volume  0.80639E-03 ppm1      3.735 ppm2      3.580 CV     1
 OR { 1870}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 48   and name HA2 ))
 ASSI { 1874}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 12   and name HG11))
      3.500     1.500     1.500 peak  1874 spectrum    1 weight  0.52448E+00 volume  0.16247E-02 ppm1      3.718 ppm2      0.554 CV     1
 ASSI { 1885}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1885 spectrum    1 weight  0.61171E+00 volume  0.29078E-02 ppm1      4.330 ppm2      4.723 CV     1
 ASSI { 1899}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 43   and name HA  ))
      4.700     2.800     1.300 peak  1899 spectrum    1 weight  0.53946E+00 volume  0.15913E-02 ppm1      3.917 ppm2      4.473 CV     1
 ASSI { 1918}
   (( segid "    " and resid 48   and name HA1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     3.200     2.800 peak  1918 spectrum    1 weight  0.75672E+00 volume  0.11241E-01 ppm1      4.386 ppm2      1.059 CV     1
 ASSI { 1931}
   (( segid "    " and resid 48   and name HA2 ))
   (  segid "    " and resid 70   and name HG2%)
      2.700     2.700     3.300 peak  1931 spectrum    1 weight  0.79307E+00 volume  0.12819E-01 ppm1      3.536 ppm2      1.059 CV     1
 ASSI { 1939}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 71   and name HA  ))
      4.300     2.300     1.700 peak  1939 spectrum    1 weight  0.45685E+00 volume  0.15858E-02 ppm1      3.519 ppm2      4.527 CV     1
 ASSI { 1958}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.700     1.700     1.700 peak  1958 spectrum    1 weight  0.59164E+00 volume  0.56734E-03 ppm1      1.933 ppm2      5.058 CV     1
 ASSI { 1959}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     6.000     0.000 peak  1959 spectrum    1 weight  0.66032E+00 volume  0.12618E-03 ppm1      1.931 ppm2      4.527 CV     1
 ASSI { 1969}
   (( segid "    " and resid 54   and name HA2 ))
   (  segid "    " and resid 131  and name HD% )
      6.000     4.800     0.000 peak  1969 spectrum    1 weight  0.58224E+00 volume  0.25187E-03 ppm1      2.971 ppm2      6.985 CV     1
 ASSI { 1986}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1986 spectrum    1 weight  0.53329E+00 volume  0.72206E-03 ppm1      1.566 ppm2      7.125 CV     1
 ASSI { 1987}
   (( segid "    " and resid 54   and name HA1 ))
   (  segid "    " and resid 131  and name HD% )
      3.600     1.700     1.700 peak  1987 spectrum    1 weight  0.59472E+00 volume  0.10806E-02 ppm1      1.561 ppm2      7.000 CV     1
 ASSI { 1992}
   (( segid "    " and resid 50   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      4.500     2.500     1.500 peak  1992 spectrum    1 weight  0.33341E+00 volume  0.42820E-03 ppm1      4.704 ppm2      7.326 CV     1
 ASSI { 2056}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      5.700     4.100     0.300 peak  2056 spectrum    1 weight  0.53648E+00 volume  0.52659E-03 ppm1      2.478 ppm2      8.706 CV     1
 ASSI { 2059}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      4.300     2.300     1.700 peak  2059 spectrum    1 weight  0.59839E+00 volume  0.15620E-02 ppm1      2.133 ppm2      7.433 CV     1
 ASSI { 2094}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.700     1.700     1.700 peak  2094 spectrum    1 weight  0.53329E+00 volume  0.49123E-02 ppm1      2.885 ppm2      0.730 CV     1
 ASSI { 2098}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 86   and name HD1%)
      2.900     1.100     1.100 peak  2098 spectrum    1 weight  0.60837E+00 volume  0.26054E-02 ppm1      2.881 ppm2      0.449 CV     1
 ASSI { 2099}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 4    and name HG2%)
      4.300     2.300     1.700 peak  2099 spectrum    1 weight  0.59138E+00 volume  0.51403E-03 ppm1      2.880 ppm2      0.239 CV     1
 ASSI { 2109}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 6    and name HE% )
      5.200     3.300     0.800 peak  2109 spectrum    1 weight  0.43171E+00 volume  0.16154E-02 ppm1      2.491 ppm2      6.950 CV     1
 OR { 2109}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 6    and name HD% )
 ASSI { 2111}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.000     1.100     1.100 peak  2111 spectrum    1 weight  0.55703E+00 volume  0.32915E-02 ppm1      2.494 ppm2      0.726 CV     1
 ASSI { 2112}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      4.400     2.500     1.600 peak  2112 spectrum    1 weight  0.60087E+00 volume  0.18475E-02 ppm1      2.487 ppm2      0.448 CV     1
 ASSI { 2113}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 4    and name HG2%)
      3.300     1.400     1.400 peak  2113 spectrum    1 weight  0.60599E+00 volume  0.23779E-02 ppm1      2.480 ppm2      0.253 CV     1
 ASSI { 2142}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  2142 spectrum    1 weight  0.60667E+00 volume  0.24443E-02 ppm1      3.013 ppm2      8.254 CV     1
 ASSI { 2147}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak  2147 spectrum    1 weight  0.60366E+00 volume  0.21445E-02 ppm1      2.903 ppm2      8.254 CV     1
 ASSI { 2169}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      4.800     2.900     1.200 peak  2169 spectrum    1 weight  0.59285E+00 volume  0.78924E-03 ppm1      1.376 ppm2      5.354 CV     1
 OR { 2169}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
 OR { 2169}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 2170}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak  2170 spectrum    1 weight  0.61468E+00 volume  0.31643E-02 ppm1      1.380 ppm2      5.185 CV     1
 ASSI { 2208}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 119  and name HD% )
      5.600     3.900     0.400 peak  2208 spectrum    1 weight  0.55157E+00 volume  0.33803E-03 ppm1      1.793 ppm2      7.133 CV     1
 ASSI { 2217}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.800     1.800     1.800 peak  2217 spectrum    1 weight  0.58949E+00 volume  0.23554E-02 ppm1      0.892 ppm2      0.528 CV     1
 ASSI { 2223}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 10   and name HA2 ))
      3.700     1.800     1.800 peak  2223 spectrum    1 weight  0.34295E+00 volume  0.20640E-02 ppm1      3.638 ppm2      3.760 CV     1
 OR { 2223}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI { 2230}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 119  and name HE% )
      6.000     5.200     0.000 peak  2230 spectrum    1 weight  0.52017E+00 volume  0.21732E-03 ppm1      1.811 ppm2      6.755 CV     1
 ASSI { 2232}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak  2232 spectrum    1 weight  0.59737E+00 volume  0.14362E-02 ppm1      1.653 ppm2      7.528 CV     1
 ASSI { 2246}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak  2246 spectrum    1 weight  0.59158E+00 volume  0.55518E-03 ppm1      1.238 ppm2      7.522 CV     1
 ASSI { 2251}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 139  and name HN  ))
      4.600     2.600     1.400 peak  2251 spectrum    1 weight  0.55784E+00 volume  0.20207E-03 ppm1      0.910 ppm2      8.759 CV     1
 ASSI { 2287}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak  2287 spectrum    1 weight  0.59580E+00 volume  0.18982E-02 ppm1      1.745 ppm2      5.450 CV     1
 ASSI { 2309}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      3.200     1.300     1.300 peak  2309 spectrum    1 weight  0.59455E+00 volume  0.10553E-02 ppm1      1.211 ppm2      5.455 CV     1
 ASSI { 2360}
   (( segid "    " and resid 149  and name HB1 ))
   (  segid "    " and resid 6    and name HD% )
      3.600     3.600     2.400 peak  2360 spectrum    1 weight  0.58238E+00 volume  0.27736E-03 ppm1      1.595 ppm2      6.976 CV     1
 ASSI { 2362}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      5.000     3.100     1.000 peak  2362 spectrum    1 weight  0.50046E+00 volume  0.92527E-03 ppm1      1.457 ppm2      2.724 CV     1
 ASSI { 2370}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     6.000     0.000 peak  2370 spectrum    1 weight  0.58724E+00 volume  0.69609E-04 ppm1      1.204 ppm2      9.141 CV     1
 OR { 2370}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 2460}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      4.300     2.300     1.700 peak  2460 spectrum    1 weight  0.60100E+00 volume  0.18622E-02 ppm1      3.220 ppm2      5.456 CV     1
 ASSI { 2513}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.600     1.700     1.700 peak  2513 spectrum    1 weight  0.60298E+00 volume  0.20744E-02 ppm1      2.917 ppm2      5.457 CV     1
 ASSI { 2583}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
      5.600     4.000     0.400 peak  2583 spectrum    1 weight  0.59163E+00 volume  0.56692E-03 ppm1      2.639 ppm2      5.186 CV     1
 OR { 2583}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 2612}
   (( segid "    " and resid 58   and name HE1 ))
   (  segid "    " and resid 62   and name HD1%)
      4.200     2.200     1.800 peak  2612 spectrum    1 weight  0.58179E+00 volume  0.10411E-02 ppm1      2.720 ppm2      0.302 CV     1
 ASSI { 2617}
   (( segid "    " and resid 58   and name HE2 ))
   (( segid "    " and resid 132  and name HA  ))
      3.700     1.700     1.700 peak  2617 spectrum    1 weight  0.59861E+00 volume  0.15876E-02 ppm1      2.386 ppm2      4.398 CV     1
 ASSI { 2625}
   (( segid "    " and resid 58   and name HE2 ))
   (  segid "    " and resid 62   and name HD2%)
      4.100     2.100     1.900 peak  2625 spectrum    1 weight  0.59991E+00 volume  0.17394E-02 ppm1      2.387 ppm2      0.559 CV     1
 ASSI { 2626}
   (( segid "    " and resid 58   and name HE2 ))
   (  segid "    " and resid 62   and name HD1%)
      3.800     1.800     1.800 peak  2626 spectrum    1 weight  0.61014E+00 volume  0.27680E-02 ppm1      2.386 ppm2      0.302 CV     1
 ASSI { 2673}
   (( segid "    " and resid 146  and name HB1 ))
   (  segid "    " and resid 147  and name HG2%)
      5.600     3.900     0.400 peak  2673 spectrum    1 weight  0.59269E+00 volume  0.76136E-03 ppm1      2.051 ppm2      1.135 CV     1
 ASSI { 2689}
   (( segid "    " and resid 146  and name HB2 ))
   (  segid "    " and resid 147  and name HG2%)
      6.000     4.600     0.000 peak  2689 spectrum    1 weight  0.39667E+00 volume  0.73911E-03 ppm1      1.309 ppm2      1.142 CV     1
 ASSI { 2697}
   (( segid "    " and resid 146  and name HB2 ))
   (  segid "    " and resid 147  and name HG2%)
      5.600     3.900     0.400 peak  2697 spectrum    1 weight  0.38663E+00 volume  0.11800E-02 ppm1      1.265 ppm2      1.121 CV     1
 ASSI { 2700}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.700     1.700     1.700 peak  2700 spectrum    1 weight  0.55828E+00 volume  0.90216E-03 ppm1      1.121 ppm2      3.280 CV     1
 OR { 2700}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2713}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 41   and name HA2 ))
      4.800     2.900     1.200 peak  2713 spectrum    1 weight  0.55452E+00 volume  0.25103E-02 ppm1      3.193 ppm2      5.332 CV     1
 ASSI { 2715}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 41   and name HA1 ))
      4.500     2.500     1.500 peak  2715 spectrum    1 weight  0.60590E+00 volume  0.44666E-02 ppm1      3.189 ppm2      3.611 CV     1
 ASSI { 2730}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      5.100     3.200     0.900 peak  2730 spectrum    1 weight  0.43671E+00 volume  0.46536E-03 ppm1      2.524 ppm2      4.824 CV     1
 OR { 2730}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 2730}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 2730}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 2730}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 2730}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2734}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     6.000     0.000 peak  2734 spectrum    1 weight  0.53058E+00 volume  0.17095E-04 ppm1      2.245 ppm2      4.580 CV     1
 OR { 2734}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 2735}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 41   and name HA2 ))
      4.000     2.000     2.000 peak  2735 spectrum    1 weight  0.60369E+00 volume  0.21485E-02 ppm1      2.232 ppm2      5.324 CV     1
 ASSI { 2737}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 41   and name HA1 ))
      3.900     1.900     1.900 peak  2737 spectrum    1 weight  0.61162E+00 volume  0.29001E-02 ppm1      2.235 ppm2      3.606 CV     1
 ASSI { 2761}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      5.100     3.300     0.900 peak  2761 spectrum    1 weight  0.42987E+00 volume  0.43914E-03 ppm1      2.548 ppm2      4.818 CV     1
 OR { 2761}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 2761}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 2761}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 OR { 2761}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 2761}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2768}
   (( segid "    " and resid 137  and name HB  ))
   (  segid "    " and resid 134  and name HG2%)
      3.100     3.100     2.900 peak  2768 spectrum    1 weight  0.49549E+00 volume  0.66958E-03 ppm1      1.361 ppm2      1.141 CV     1
 ASSI { 2775}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.800     1.000     1.000 peak  2775 spectrum    1 weight  0.62037E+00 volume  0.74344E-02 ppm1      3.324 ppm2      4.666 CV     1
 OR { 2775}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI { 2778}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 87   and name HG2%)
      4.100     2.100     1.900 peak  2778 spectrum    1 weight  0.60707E+00 volume  0.24825E-02 ppm1      3.322 ppm2      1.069 CV     1
 OR { 2778}
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI { 2786}
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 137  and name HD1%)
      3.500     1.500     1.500 peak  2786 spectrum    1 weight  0.60947E+00 volume  0.27064E-02 ppm1      3.215 ppm2     -0.085 CV     1
 ASSI { 2801}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 100  and name HE% )
      3.800     1.800     1.800 peak  2801 spectrum    1 weight  0.50261E+00 volume  0.13377E-02 ppm1      2.423 ppm2      7.069 CV     1
 ASSI { 2802}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 100  and name HE% )
      4.900     3.000     1.100 peak  2802 spectrum    1 weight  0.48614E+00 volume  0.81786E-03 ppm1      2.064 ppm2      7.071 CV     1
 ASSI { 2805}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      5.400     3.600     0.600 peak  2805 spectrum    1 weight  0.59174E+00 volume  0.58807E-03 ppm1      1.785 ppm2      5.458 CV     1
 ASSI { 2806}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.400     1.400 peak  2806 spectrum    1 weight  0.60244E+00 volume  0.20176E-02 ppm1      1.788 ppm2      4.732 CV     1
 ASSI { 2812}
   (( segid "    " and resid 137  and name HB  ))
   (( segid "    " and resid 138  and name HN  ))
      2.600     0.900     0.900 peak  2812 spectrum    1 weight  0.61199E+00 volume  0.29327E-02 ppm1      1.361 ppm2      8.169 CV     1
 ASSI { 2826}
   (( segid "    " and resid 148  and name HB1 ))
   (  segid "    " and resid 145  and name HD1%)
      3.000     3.000     3.000 peak  2826 spectrum    1 weight  0.57368E+00 volume  0.78050E-03 ppm1      3.475 ppm2     -0.084 CV     1
 ASSI { 2859}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.700     0.000 peak  2859 spectrum    1 weight  0.55129E+00 volume  0.13589E-03 ppm1      1.779 ppm2      8.392 CV     1
 ASSI { 2935}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      4.200     2.200     1.800 peak  2935 spectrum    1 weight  0.60950E+00 volume  0.27092E-02 ppm1      1.757 ppm2      3.313 CV     1
 ASSI { 2940}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HG1 ))
      6.000     6.000     0.000 peak  2940 spectrum    1 weight  0.48507E+00 volume  0.16880E-04 ppm1      1.747 ppm2      2.521 CV     1
 OR { 2940}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2942}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.400     1.700 peak  2942 spectrum    1 weight  0.46620E+00 volume  0.49369E-03 ppm1      1.676 ppm2      8.602 CV     1
 ASSI { 2944}
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     3.500     2.500 peak  2944 spectrum    1 weight  0.60255E+00 volume  0.20297E-02 ppm1      1.669 ppm2      2.634 CV     1
 ASSI { 2955}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.200     1.200     1.200 peak  2955 spectrum    1 weight  0.58394E+00 volume  0.52551E-02 ppm1      1.579 ppm2      1.141 CV     1
 OR { 2955}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2957}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 59   and name HD1%)
      3.700     1.700     1.700 peak  2957 spectrum    1 weight  0.60158E+00 volume  0.19257E-02 ppm1      1.576 ppm2      0.524 CV     1
 ASSI { 2973}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 137  and name HG11))
      5.900     4.400     0.100 peak  2973 spectrum    1 weight  0.59028E+00 volume  0.24533E-03 ppm1      3.020 ppm2      0.314 CV     1
 OR { 2973}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 137  and name HG11))
 ASSI { 2984}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.400     1.400 peak  2984 spectrum    1 weight  0.57698E+00 volume  0.26151E-02 ppm1      1.753 ppm2      8.878 CV     1
 ASSI { 2998}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.400     0.000 peak  2998 spectrum    1 weight  0.53064E+00 volume  0.60715E-04 ppm1      3.342 ppm2      3.620 CV     1
 ASSI { 3001}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.800     1.800     1.800 peak  3001 spectrum    1 weight  0.60649E+00 volume  0.24267E-02 ppm1      3.340 ppm2      0.523 CV     1
 OR { 3001}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 3045}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 124  and name HB2 ))
      3.300     3.300     2.700 peak  3045 spectrum    1 weight  0.81839E+00 volume  0.19710E-01 ppm1      2.452 ppm2      2.611 CV     1
 OR { 3045}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 3054}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 93   and name HB2 ))
      4.100     2.200     1.900 peak  3054 spectrum    1 weight  0.55356E+00 volume  0.29975E-02 ppm1      2.763 ppm2      3.328 CV     1
 OR { 3054}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 93   and name HB1 ))
 ASSI { 3066}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      3.700     1.700     1.700 peak  3066 spectrum    1 weight  0.59562E+00 volume  0.12068E-02 ppm1      3.616 ppm2      9.149 CV     1
 ASSI { 3147}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 20   and name HB1 ))
      3.900     1.900     1.900 peak  3147 spectrum    1 weight  0.56491E+00 volume  0.16870E-02 ppm1      2.737 ppm2      3.361 CV     1
 ASSI { 3159}
   (( segid "    " and resid 110  and name HB  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     6.000     0.000 peak  3159 spectrum    1 weight  0.50809E+00 volume  0.36493E-04 ppm1      1.892 ppm2      4.584 CV     1
 ASSI { 3160}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 6    and name HD% )
      2.900     1.000     1.000 peak  3160 spectrum    1 weight  0.56444E+00 volume  0.42764E-02 ppm1      1.826 ppm2      6.929 CV     1
 OR { 3160}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 6    and name HE% )
 ASSI { 3176}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     6.000     0.000 peak  3176 spectrum    1 weight  0.54394E+00 volume  0.73094E-04 ppm1      2.883 ppm2      4.984 CV     1
 ASSI { 3178}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     2.600     3.400 peak  3178 spectrum    1 weight  0.58285E+00 volume  0.19675E-02 ppm1      2.887 ppm2      3.424 CV     1
 ASSI { 3220}
   (( segid "    " and resid 49   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
      3.300     1.400     1.400 peak  3220 spectrum    1 weight  0.59106E+00 volume  0.44494E-03 ppm1      2.246 ppm2      3.433 CV     1
 ASSI { 3239}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     5.800     0.000 peak  3239 spectrum    1 weight  0.57803E+00 volume  0.21118E-03 ppm1      1.937 ppm2      4.505 CV     1
 ASSI { 3258}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 92   and name HB1 ))
      3.800     1.800     1.800 peak  3258 spectrum    1 weight  0.57938E+00 volume  0.31152E-02 ppm1      2.048 ppm2      2.617 CV     1
 ASSI { 3262}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     3.200     2.800 peak  3262 spectrum    1 weight  0.43906E+00 volume  0.25505E-02 ppm1      1.672 ppm2      1.071 CV     1
 ASSI { 3265}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 89   and name HA  ))
      3.300     1.300     1.300 peak  3265 spectrum    1 weight  0.63023E+00 volume  0.43714E-02 ppm1      2.184 ppm2      5.144 CV     1
 ASSI { 3266}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 89   and name HB1 ))
      3.200     1.300     1.300 peak  3266 spectrum    1 weight  0.60166E+00 volume  0.19344E-02 ppm1      2.189 ppm2      3.634 CV     1
 ASSI { 3269}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.700     1.700     1.700 peak  3269 spectrum    1 weight  0.61564E+00 volume  0.32447E-02 ppm1      2.043 ppm2      5.148 CV     1
 ASSI { 3277}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 35   and name HD% )
      6.000     5.600     0.000 peak  3277 spectrum    1 weight  0.54206E+00 volume  0.25490E-03 ppm1      1.983 ppm2      7.081 CV     1
 ASSI { 3278}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 35   and name HD% )
      5.400     3.600     0.600 peak  3278 spectrum    1 weight  0.49953E+00 volume  0.96825E-03 ppm1      1.967 ppm2      7.122 CV     1
 ASSI { 3290}
   (( segid "    " and resid 133  and name HG1 ))
   (  segid "    " and resid 137  and name HD1%)
      3.500     1.600     1.600 peak  3290 spectrum    1 weight  0.61037E+00 volume  0.27884E-02 ppm1      2.082 ppm2     -0.096 CV     1
 ASSI { 3292}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak  3292 spectrum    1 weight  0.64555E+00 volume  0.55748E-02 ppm1      1.980 ppm2      4.891 CV     1
 ASSI { 3301}
   (( segid "    " and resid 133  and name HG2 ))
   (  segid "    " and resid 137  and name HD1%)
      3.700     1.800     1.800 peak  3301 spectrum    1 weight  0.61623E+00 volume  0.32939E-02 ppm1      1.886 ppm2     -0.100 CV     1
 ASSI { 3302}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     6.000     0.000 peak  3302 spectrum    1 weight  0.53060E+00 volume  0.34814E-04 ppm1      1.848 ppm2      5.572 CV     1
 ASSI { 3304}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      3.900     1.900     1.900 peak  3304 spectrum    1 weight  0.59314E+00 volume  0.83811E-03 ppm1      1.788 ppm2      5.145 CV     1
 ASSI { 3362}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 50   and name HA1 ))
      5.800     4.100     0.200 peak  3362 spectrum    1 weight  0.55812E+00 volume  0.28758E-03 ppm1      1.517 ppm2      4.723 CV     1
 OR { 3362}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 3368}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.600     3.900     0.400 peak  3368 spectrum    1 weight  0.58428E+00 volume  0.39020E-03 ppm1      1.499 ppm2      2.626 CV     1
 ASSI { 3370}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.600     0.000 peak  3370 spectrum    1 weight  0.66731E+00 volume  0.27598E-03 ppm1      0.713 ppm2      7.592 CV     1
 ASSI { 3372}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.100     3.300     0.900 peak  3372 spectrum    1 weight  0.58606E+00 volume  0.70198E-03 ppm1      0.699 ppm2      2.632 CV     1
 ASSI { 3400}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     5.200     0.000 peak  3400 spectrum    1 weight  0.58792E+00 volume  0.11696E-03 ppm1      1.717 ppm2      9.315 CV     1
 ASSI { 3415}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
      5.800     4.200     0.200 peak  3415 spectrum    1 weight  0.59079E+00 volume  0.38101E-03 ppm1      2.973 ppm2      0.334 CV     1
 ASSI { 3421}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 12   and name HD1%)
      4.800     2.900     1.200 peak  3421 spectrum    1 weight  0.59040E+00 volume  0.27879E-03 ppm1      2.820 ppm2      0.330 CV     1
 ASSI { 3431}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
      3.500     1.500     1.500 peak  3431 spectrum    1 weight  0.68069E+00 volume  0.74974E-02 ppm1      2.244 ppm2      5.145 CV     1
 ASSI { 3437}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.600     1.600     1.600 peak  3437 spectrum    1 weight  0.73697E+00 volume  0.10337E-01 ppm1      1.844 ppm2      5.143 CV     1
 ASSI { 3477}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     6.000     0.000 peak  3477 spectrum    1 weight  0.38576E+00 volume  0.36857E-03 ppm1      2.483 ppm2      0.271 CV     1
 OR { 3477}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 4    and name HG2%)
 OR { 3477}
   (( segid "    " and resid 22   and name HG1 ))
   (  segid "    " and resid 149  and name HD2%)
 OR { 3477}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 149  and name HD2%)
 ASSI { 3490}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.000     0.500     0.500 peak  3490 spectrum    1 weight  0.64249E+00 volume  0.10809E-01 ppm1      1.986 ppm2      4.447 CV     1
 ASSI { 3521}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      4.300     2.300     1.700 peak  3521 spectrum    1 weight  0.58639E+00 volume  0.28134E-03 ppm1      2.088 ppm2      9.409 CV     1
 ASSI { 3535}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 138  and name HD2%)
      3.100     1.200     1.200 peak  3535 spectrum    1 weight  0.65955E+00 volume  0.11577E-01 ppm1      2.416 ppm2      0.681 CV     1
 ASSI { 3541}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 97   and name HD2%)
      3.500     1.500     1.500 peak  3541 spectrum    1 weight  0.60024E+00 volume  0.24302E-02 ppm1      2.412 ppm2      0.407 CV     1
 ASSI { 3543}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      4.300     2.300     1.700 peak  3543 spectrum    1 weight  0.53117E+00 volume  0.31859E-03 ppm1      2.222 ppm2      8.594 CV     1
 OR { 3543}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3551}
   (( segid "    " and resid 107  and name HB  ))
   (( segid "    " and resid 108  and name HN  ))
      3.900     1.900     1.900 peak  3551 spectrum    1 weight  0.60682E+00 volume  0.24588E-02 ppm1      1.867 ppm2      9.155 CV     1
 ASSI { 3558}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 138  and name HD2%)
      2.800     2.800     3.200 peak  3558 spectrum    1 weight  0.58049E+00 volume  0.50263E-02 ppm1      1.864 ppm2      0.685 CV     1
 ASSI { 3566}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     6.000     0.000 peak  3566 spectrum    1 weight  0.58557E+00 volume  0.17593E-04 ppm1      2.465 ppm2      8.593 CV     1
 OR { 3566}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3572}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  3572 spectrum    1 weight  0.36674E+00 volume  0.66568E-02 ppm1      2.395 ppm2      0.527 CV     1
 ASSI { 3575}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 6    and name HE% )
      3.600     1.600     1.600 peak  3575 spectrum    1 weight  0.51578E+00 volume  0.14766E-02 ppm1      2.227 ppm2      6.955 CV     1
 ASSI { 3581}
   (( segid "    " and resid 107  and name HB  ))
   (  segid "    " and resid 97   and name HD2%)
      2.600     2.600     3.400 peak  3581 spectrum    1 weight  0.53389E+00 volume  0.20887E-02 ppm1      1.881 ppm2      0.406 CV     1
 ASSI { 3582}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 127  and name HD% )
      5.200     3.400     0.800 peak  3582 spectrum    1 weight  0.46545E+00 volume  0.84626E-03 ppm1      1.861 ppm2      7.295 CV     1
 ASSI { 3614}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 83   and name HB2 ))
      4.500     2.500     1.500 peak  3614 spectrum    1 weight  0.47941E+00 volume  0.15491E-02 ppm1      2.023 ppm2      2.538 CV     1
 OR { 3614}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 3694}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     3.000     3.000 peak  3694 spectrum    1 weight  0.56713E+00 volume  0.78015E-03 ppm1      2.525 ppm2      3.429 CV     1
 ASSI { 3700}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 46   and name HB1 ))
      3.200     3.200     2.800 peak  3700 spectrum    1 weight  0.53242E+00 volume  0.55809E-03 ppm1      2.346 ppm2      3.437 CV     1
 ASSI { 3732}
   (( segid "    " and resid 147  and name HB  ))
   (( segid "    " and resid 144  and name HA  ))
      2.700     0.900     0.900 peak  3732 spectrum    1 weight  0.58929E+00 volume  0.75161E-02 ppm1      2.284 ppm2      4.647 CV     1
 ASSI { 3755}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      4.000     2.000     2.000 peak  3755 spectrum    1 weight  0.58018E+00 volume  0.13848E-02 ppm1      1.729 ppm2      7.110 CV     1
 ASSI { 3783}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      5.000     3.100     1.000 peak  3783 spectrum    1 weight  0.59463E+00 volume  0.10675E-02 ppm1      1.723 ppm2      4.886 CV     1
 ASSI { 3789}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.600     1.400 peak  3789 spectrum    1 weight  0.59580E+00 volume  0.12320E-02 ppm1      1.660 ppm2      4.899 CV     1
 ASSI { 3813}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.700     2.700     1.300 peak  3813 spectrum    1 weight  0.57159E+00 volume  0.36167E-03 ppm1      1.844 ppm2      3.677 CV     1
 ASSI { 3910}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 78   and name HD2%)
      2.300     2.300     3.700 peak  3910 spectrum    1 weight  0.62015E+00 volume  0.36119E-02 ppm1      1.954 ppm2      0.806 CV     1
 OR { 3910}
   (( segid "    " and resid 81   and name HB1 ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI { 3933}
   (( segid "    " and resid 110  and name HG11))
   (  segid "    " and resid 145  and name HD2%)
      4.400     2.500     1.600 peak  3933 spectrum    1 weight  0.53756E+00 volume  0.13548E-02 ppm1      1.263 ppm2      0.559 CV     1
 OR { 3933}
   (( segid "    " and resid 110  and name HG12))
   (  segid "    " and resid 145  and name HD2%)
 ASSI { 3940}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 69   and name HD% )
      4.400     2.500     1.600 peak  3940 spectrum    1 weight  0.37954E+00 volume  0.11792E-02 ppm1      0.984 ppm2      7.237 CV     1
 OR { 3940}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 69   and name HD% )
 ASSI { 3941}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     6.000     0.000 peak  3941 spectrum    1 weight  0.28565E+00 volume  0.16890E-04 ppm1      0.983 ppm2      4.772 CV     1
 OR { 3941}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 3949}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      4.500     2.500     1.500 peak  3949 spectrum    1 weight  0.43941E+00 volume  0.58547E-03 ppm1      0.974 ppm2      7.359 CV     1
 OR { 3949}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 3957}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.100     2.100     1.900 peak  3957 spectrum    1 weight  0.41001E+00 volume  0.90675E-03 ppm1      2.817 ppm2      2.670 CV     1
 ASSI { 3963}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 53   and name HE% )
      3.500     1.600     1.600 peak  3963 spectrum    1 weight  0.55984E+00 volume  0.14313E-02 ppm1      2.788 ppm2      6.752 CV     1
 ASSI { 3998}
   (( segid "    " and resid 73   and name HD2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     3.100     2.900 peak  3998 spectrum    1 weight  0.59213E+00 volume  0.66115E-03 ppm1      1.682 ppm2      9.299 CV     1
 OR { 3998}
   (( segid "    " and resid 73   and name HD1 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 4037}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.800     0.000 peak  4037 spectrum    1 weight  0.59031E+00 volume  0.25239E-03 ppm1      1.656 ppm2      7.752 CV     1
 ASSI { 4071}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 49   and name HG2 ))
      6.000     6.000     0.000 peak  4071 spectrum    1 weight  0.61167E+00 volume  0.34248E-04 ppm1      3.436 ppm2      2.360 CV     1
 OR { 4071}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 4079}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 127  and name HE% )
      4.300     2.300     1.700 peak  4079 spectrum    1 weight  0.53961E+00 volume  0.71991E-03 ppm1      2.717 ppm2      6.994 CV     1
 ASSI { 4080}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HD1 ))
      6.000     4.900     0.000 peak  4080 spectrum    1 weight  0.45284E+00 volume  0.20788E-03 ppm1      2.716 ppm2      3.156 CV     1
 OR { 4080}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
 OR { 4080}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 4094}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak  4094 spectrum    1 weight  0.39834E+00 volume  0.47374E-02 ppm1      1.875 ppm2      3.319 CV     1
 ASSI { 4098}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  4098 spectrum    1 weight  0.46612E+00 volume  0.56371E-03 ppm1      1.814 ppm2      7.608 CV     1
 ASSI { 4142}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.400     2.400     3.600 peak  4142 spectrum    1 weight  0.46206E+00 volume  0.31517E-02 ppm1      1.559 ppm2      3.305 CV     1
 OR { 4142}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 4160}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak  4160 spectrum    1 weight  0.36633E+00 volume  0.35293E-02 ppm1      1.189 ppm2      4.774 CV     1
 ASSI { 4224}
   (( segid "    " and resid 137  and name HG11))
   (  segid "    " and resid 117  and name HD1%)
      3.300     1.400     1.400 peak  4224 spectrum    1 weight  0.60517E+00 volume  0.22978E-02 ppm1      0.298 ppm2      1.032 CV     1
 ASSI { 4238}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 37   and name HA  ))
      5.400     3.600     0.600 peak  4238 spectrum    1 weight  0.56038E+00 volume  0.65260E-03 ppm1      1.389 ppm2      4.742 CV     1
 ASSI { 4248}
   (( segid "    " and resid 4    and name HG11))
   (( segid "    " and resid 3    and name HA  ))
      4.800     2.900     1.200 peak  4248 spectrum    1 weight  0.59122E+00 volume  0.48160E-03 ppm1      1.217 ppm2      5.468 CV     1
 OR { 4248}
   (( segid "    " and resid 37   and name HG11))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 4265}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 138  and name HD2%)
      3.500     1.500     1.500 peak  4265 spectrum    1 weight  0.55724E+00 volume  0.64272E-02 ppm1      2.147 ppm2      0.680 CV     1
 ASSI { 4266}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 97   and name HD2%)
      4.900     3.000     1.100 peak  4266 spectrum    1 weight  0.59598E+00 volume  0.12556E-02 ppm1      2.150 ppm2      0.406 CV     1
 ASSI { 4267}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 62   and name HD2%)
      3.800     1.800     1.800 peak  4267 spectrum    1 weight  0.40923E+00 volume  0.56030E-02 ppm1      2.100 ppm2      0.550 CV     1
 ASSI { 4274}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 138  and name HD2%)
      4.000     2.000     2.000 peak  4274 spectrum    1 weight  0.58136E+00 volume  0.50842E-02 ppm1      2.049 ppm2      0.670 CV     1
 ASSI { 4275}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      6.000     6.000     0.000 peak  4275 spectrum    1 weight  0.42453E+00 volume  0.34658E-04 ppm1      1.397 ppm2      8.573 CV     1
 ASSI { 4281}
   (( segid "    " and resid 4    and name HG12))
   (( segid "    " and resid 149  and name HA  ))
      4.400     2.400     1.600 peak  4281 spectrum    1 weight  0.56283E+00 volume  0.12096E-02 ppm1      1.371 ppm2      3.722 CV     1
 ASSI { 4282}
   (( segid "    " and resid 4    and name HG12))
   (  segid "    " and resid 6    and name HD% )
      6.000     6.000     0.000 peak  4282 spectrum    1 weight  0.48068E+00 volume  0.12690E-03 ppm1      1.346 ppm2      6.978 CV     1
 ASSI { 4289}
   (( segid "    " and resid 37   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.700     0.000 peak  4289 spectrum    1 weight  0.59047E+00 volume  0.29939E-03 ppm1      1.215 ppm2      8.554 CV     1
 OR { 4289}
   (( segid "    " and resid 37   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
 OR { 4289}
   (( segid "    " and resid 4    and name HG11))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 4293}
   (  segid "    " and resid 117  and name HD1%)
   (  segid "    " and resid 119  and name HE% )
      4.900     3.000     1.100 peak  4293 spectrum    1 weight  0.56915E+00 volume  0.85369E-03 ppm1      1.030 ppm2      6.738 CV     1
 ASSI { 4313}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 97   and name HD2%)
      4.300     2.300     1.700 peak  4313 spectrum    1 weight  0.58003E+00 volume  0.10086E-02 ppm1      2.050 ppm2      0.406 CV     1
 ASSI { 4327}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 137  and name HN  ))
      5.000     3.200     1.000 peak  4327 spectrum    1 weight  0.59146E+00 volume  0.53162E-03 ppm1      1.030 ppm2      7.372 CV     1
 ASSI { 4328}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
      5.300     3.500     0.700 peak  4328 spectrum    1 weight  0.59202E+00 volume  0.64194E-03 ppm1      1.028 ppm2      4.979 CV     1
 ASSI { 4340}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 137  and name HG11))
      3.200     1.300     1.300 peak  4340 spectrum    1 weight  0.61181E+00 volume  0.30041E-02 ppm1      1.030 ppm2      0.293 CV     1
 ASSI { 4341}
   (  segid "    " and resid 117  and name HD1%)
   (  segid "    " and resid 137  and name HD1%)
      3.700     1.700     1.700 peak  4341 spectrum    1 weight  0.59821E+00 volume  0.15400E-02 ppm1      1.028 ppm2     -0.100 CV     1
 ASSI { 4347}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 20   and name HD% )
      3.600     3.600     2.400 peak  4347 spectrum    1 weight  0.54514E+00 volume  0.22118E-02 ppm1      0.524 ppm2      7.394 CV     1
 ASSI { 4348}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      3.100     3.100     2.900 peak  4348 spectrum    1 weight  0.59260E+00 volume  0.74580E-03 ppm1      0.513 ppm2      7.620 CV     1
 ASSI { 4360}
   (( segid "    " and resid 142  and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      5.300     3.500     0.700 peak  4360 spectrum    1 weight  0.59034E+00 volume  0.26167E-03 ppm1      2.831 ppm2      0.573 CV     1
 ASSI { 4374}
   (( segid "    " and resid 123  and name HG1 ))
   (  segid "    " and resid 137  and name HD1%)
      4.200     2.200     1.800 peak  4374 spectrum    1 weight  0.59471E+00 volume  0.10790E-02 ppm1      2.041 ppm2     -0.097 CV     1
 OR { 4374}
   (( segid "    " and resid 123  and name HG2 ))
   (  segid "    " and resid 137  and name HD1%)
 ASSI { 4375}
   (( segid "    " and resid 123  and name HG1 ))
   (  segid "    " and resid 119  and name HE% )
      4.300     2.300     1.700 peak  4375 spectrum    1 weight  0.56549E+00 volume  0.12005E-02 ppm1      2.037 ppm2      6.754 CV     1
 OR { 4375}
   (( segid "    " and resid 123  and name HG2 ))
   (  segid "    " and resid 119  and name HE% )
 ASSI { 4394}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      3.300     3.300     2.700 peak  4394 spectrum    1 weight  0.59106E+00 volume  0.44617E-03 ppm1      0.526 ppm2      8.633 CV     1
 OR { 4394}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 4444}
   (( segid "    " and resid 140  and name HG  ))
   (( segid "    " and resid 114  and name HA  ))
      4.400     2.400     1.600 peak  4444 spectrum    1 weight  0.58408E+00 volume  0.13562E-02 ppm1      1.509 ppm2      4.983 CV     1
 ASSI { 4482}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 107  and name HA  ))
      4.900     3.000     1.100 peak  4482 spectrum    1 weight  0.59128E+00 volume  0.49297E-03 ppm1      1.774 ppm2      5.447 CV     1
 ASSI { 4502}
   (( segid "    " and resid 58   and name HD1 ))
   (( segid "    " and resid 132  and name HA  ))
      4.500     2.500     1.500 peak  4502 spectrum    1 weight  0.53543E+00 volume  0.10640E-02 ppm1      1.555 ppm2      4.394 CV     1
 ASSI { 4545}
   (( segid "    " and resid 86   and name HG11))
   (  segid "    " and resid 6    and name HE% )
      4.700     2.700     1.300 peak  4545 spectrum    1 weight  0.50695E+00 volume  0.59749E-03 ppm1      0.958 ppm2      6.890 CV     1
 OR { 4545}
   (( segid "    " and resid 145  and name HG  ))
   (  segid "    " and resid 6    and name HE% )
 ASSI { 4602}
   (( segid "    " and resid 149  and name HG  ))
   (  segid "    " and resid 145  and name HD1%)
      2.500     2.500     3.500 peak  4602 spectrum    1 weight  0.58544E+00 volume  0.24663E-02 ppm1      1.662 ppm2     -0.076 CV     1
 ASSI { 4609}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 79   and name HN  ))
      4.300     2.300     1.700 peak  4609 spectrum    1 weight  0.49903E+00 volume  0.94807E-03 ppm1      0.879 ppm2      7.517 CV     1
 ASSI { 4623}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.300     3.300     2.700 peak  4623 spectrum    1 weight  0.46985E+00 volume  0.50208E-03 ppm1      0.722 ppm2      8.844 CV     1
 OR { 4623}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 4634}
   (  segid "    " and resid 145  and name HD2%)
   (( segid "    " and resid 142  and name HN  ))
      5.700     4.100     0.300 peak  4634 spectrum    1 weight  0.53058E+00 volume  0.17153E-04 ppm1      0.577 ppm2      8.762 CV     1
 OR { 4634}
   (  segid "    " and resid 145  and name HD2%)
   (( segid "    " and resid 110  and name HN  ))
 OR { 4634}
   (  segid "    " and resid 145  and name HD2%)
   (( segid "    " and resid 109  and name HN  ))
 OR { 4634}
   (  segid "    " and resid 145  and name HD2%)
   (( segid "    " and resid 141  and name HN  ))
 ASSI { 4635}
   (  segid "    " and resid 145  and name HD2%)
   (  segid "    " and resid 6    and name HD% )
      2.100     2.100     3.900 peak  4635 spectrum    1 weight  0.63245E+00 volume  0.80867E-02 ppm1      0.575 ppm2      6.959 CV     1
 ASSI { 4644}
   (  segid "    " and resid 145  and name HD2%)
   (  segid "    " and resid 149  and name HD2%)
      2.600     2.600     3.400 peak  4644 spectrum    1 weight  0.82113E+00 volume  0.16263E-01 ppm1      0.576 ppm2      0.245 CV     1
 OR { 4644}
   (  segid "    " and resid 145  and name HD2%)
   (  segid "    " and resid 149  and name HD1%)
 ASSI { 4652}
   (  segid "    " and resid 149  and name HD2%)
   (  segid "    " and resid 6    and name HD% )
      2.700     2.700     3.300 peak  4652 spectrum    1 weight  0.53852E+00 volume  0.14763E-02 ppm1      0.253 ppm2      6.977 CV     1
 ASSI { 4659}
   (  segid "    " and resid 149  and name HD2%)
   (  segid "    " and resid 145  and name HD2%)
      2.700     2.700     3.300 peak  4659 spectrum    1 weight  0.61272E+00 volume  0.93994E-02 ppm1      0.249 ppm2      0.553 CV     1
 ASSI { 4661}
   (  segid "    " and resid 149  and name HD2%)
   (  segid "    " and resid 145  and name HD1%)
      2.200     2.200     3.800 peak  4661 spectrum    1 weight  0.59075E+00 volume  0.56929E-02 ppm1      0.249 ppm2     -0.078 CV     1
 ASSI { 4663}
   (( segid "    " and resid 149  and name HG  ))
   (  segid "    " and resid 145  and name HD2%)
      4.500     2.500     1.500 peak  4663 spectrum    1 weight  0.53385E+00 volume  0.81735E-03 ppm1      1.667 ppm2      0.555 CV     1
 ASSI { 4695}
   (  segid "    " and resid 149  and name HD2%)
   (  segid "    " and resid 86   and name HD1%)
      1.900     1.900     4.100 peak  4695 spectrum    1 weight  0.59733E+00 volume  0.13582E-01 ppm1      0.247 ppm2      0.419 CV     1
 ASSI { 4696}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      3.300     1.400     1.400 peak  4696 spectrum    1 weight  0.60409E+00 volume  0.21885E-02 ppm1      3.225 ppm2      8.524 CV     1
 ASSI { 4709}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      5.000     3.100     1.000 peak  4709 spectrum    1 weight  0.57863E+00 volume  0.49549E-03 ppm1      2.434 ppm2      8.526 CV     1
 ASSI { 4721}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      4.800     2.800     1.200 peak  4721 spectrum    1 weight  0.53062E+00 volume  0.51352E-04 ppm1      0.739 ppm2      5.380 CV     1
 ASSI { 4722}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 84   and name HA  ))
      4.600     2.600     1.400 peak  4722 spectrum    1 weight  0.58982E+00 volume  0.65225E-04 ppm1      0.735 ppm2      5.133 CV     1
 ASSI { 4726}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 149  and name HD1%)
      3.200     3.200     2.800 peak  4726 spectrum    1 weight  0.57573E+00 volume  0.49212E-02 ppm1      0.735 ppm2      0.195 CV     1
 OR { 4726}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 149  and name HD2%)
 ASSI { 4727}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 145  and name HD1%)
      2.200     2.200     3.800 peak  4727 spectrum    1 weight  0.64755E+00 volume  0.55427E-02 ppm1      0.737 ppm2     -0.082 CV     1
 ASSI { 4744}
   (  segid "    " and resid 134  and name HG2%)
   (( segid "    " and resid 138  and name HN  ))
      4.700     2.700     1.300 peak  4744 spectrum    1 weight  0.59303E+00 volume  0.81974E-03 ppm1      1.137 ppm2      8.167 CV     1
 ASSI { 4760}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 107  and name HA  ))
      4.200     2.200     1.800 peak  4760 spectrum    1 weight  0.53072E+00 volume  0.10454E-03 ppm1      0.739 ppm2      5.426 CV     1
 ASSI { 4802}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 93   and name HB2 ))
      3.600     1.600     1.600 peak  4802 spectrum    1 weight  0.59416E+00 volume  0.99746E-03 ppm1      1.136 ppm2      3.351 CV     1
 OR { 4802}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI { 4822}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 135  and name HD% )
      5.300     3.500     0.700 peak  4822 spectrum    1 weight  0.59079E+00 volume  0.38188E-03 ppm1      0.301 ppm2      6.997 CV     1
 ASSI { 4823}
   (  segid "    " and resid 62   and name HD1%)
   (  segid "    " and resid 135  and name HE% )
      3.700     1.700     1.700 peak  4823 spectrum    1 weight  0.60451E+00 volume  0.22312E-02 ppm1      0.304 ppm2      6.590 CV     1
 ASSI { 4835}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 59   and name HB1 ))
      4.400     2.400     1.600 peak  4835 spectrum    1 weight  0.60390E+00 volume  0.21696E-02 ppm1      0.304 ppm2      1.081 CV     1
 OR { 4835}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 4857}
   (( segid "    " and resid 33   and name HG1 ))
   (  segid "    " and resid 35   and name HD% )
      4.600     2.600     1.400 peak  4857 spectrum    1 weight  0.46585E+00 volume  0.72556E-03 ppm1      1.487 ppm2      7.103 CV     1
 ASSI { 4878}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 79   and name HN  ))
      4.400     2.400     1.600 peak  4878 spectrum    1 weight  0.56736E+00 volume  0.63270E-03 ppm1      0.620 ppm2      7.527 CV     1
 ASSI { 4915}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     2.900     3.100 peak  4915 spectrum    1 weight  0.56695E+00 volume  0.10819E-02 ppm1      1.203 ppm2      9.317 CV     1
 ASSI { 4917}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 6    and name HD% )
      6.000     5.500     0.000 peak  4917 spectrum    1 weight  0.41404E+00 volume  0.24461E-03 ppm1      0.613 ppm2      6.933 CV     1
 OR { 4917}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 6    and name HD% )
 OR { 4917}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 6    and name HE% )
 ASSI { 4936}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 38   and name HN  ))
      5.100     3.300     0.900 peak  4936 spectrum    1 weight  0.53412E+00 volume  0.86276E-03 ppm1      0.589 ppm2      8.551 CV     1
 OR { 4936}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
 OR { 4936}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 4938}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak  4938 spectrum    1 weight  0.63153E+00 volume  0.44643E-02 ppm1      0.589 ppm2      5.740 CV     1
 ASSI { 4960}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak  4960 spectrum    1 weight  0.59634E+00 volume  0.13044E-02 ppm1      1.197 ppm2      5.256 CV     1
 ASSI { 4965}
   (  segid "    " and resid 96   and name HG1%)
   (  segid "    " and resid 100  and name HE% )
      4.200     2.200     1.800 peak  4965 spectrum    1 weight  0.47722E+00 volume  0.16390E-02 ppm1      0.910 ppm2      7.076 CV     1
 ASSI { 4976}
   (  segid "    " and resid 96   and name HG1%)
   (  segid "    " and resid 97   and name HD2%)
      2.800     1.000     1.000 peak  4976 spectrum    1 weight  0.86911E+00 volume  0.19014E-01 ppm1      0.911 ppm2      0.339 CV     1
 ASSI { 5002}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak  5002 spectrum    1 weight  0.46347E+00 volume  0.17095E-04 ppm1      0.846 ppm2      8.277 CV     1
 ASSI { 5003}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      4.900     3.100     1.100 peak  5003 spectrum    1 weight  0.59044E+00 volume  0.28990E-03 ppm1      0.843 ppm2      8.038 CV     1
 ASSI { 5011}
   (  segid "    " and resid 138  and name HD1%)
   (( segid "    " and resid 139  and name HN  ))
      3.000     3.000     3.000 peak  5011 spectrum    1 weight  0.59269E+00 volume  0.76269E-03 ppm1      0.694 ppm2      8.764 CV     1
 OR { 5011}
   (  segid "    " and resid 138  and name HD1%)
   (( segid "    " and resid 142  and name HN  ))
 ASSI { 5016}
   (  segid "    " and resid 138  and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      3.000     1.100     1.100 peak  5016 spectrum    1 weight  0.61652E+00 volume  0.72204E-02 ppm1      0.694 ppm2      0.138 CV     1
 OR { 5016}
   (  segid "    " and resid 138  and name HD2%)
   (  segid "    " and resid 18   and name HB% )
 ASSI { 5040}
   (  segid "    " and resid 146  and name HD2%)
   (( segid "    " and resid 149  and name HN  ))
      4.500     2.600     1.500 peak  5040 spectrum    1 weight  0.59284E+00 volume  0.78809E-03 ppm1      0.529 ppm2      8.698 CV     1
 ASSI { 5052}
   (  segid "    " and resid 146  and name HD2%)
   (  segid "    " and resid 149  and name HD2%)
      3.200     3.200     2.800 peak  5052 spectrum    1 weight  0.68889E+00 volume  0.10849E-01 ppm1      0.530 ppm2      0.248 CV     1
 OR { 5052}
   (  segid "    " and resid 146  and name HD2%)
   (  segid "    " and resid 149  and name HD1%)
 ASSI { 5074}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 86   and name HD1%)
      2.800     2.800     3.200 peak  5074 spectrum    1 weight  0.60734E+00 volume  0.66965E-02 ppm1      1.004 ppm2      0.455 CV     1
 ASSI { 5075}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 149  and name HD1%)
      2.900     2.900     3.100 peak  5075 spectrum    1 weight  0.59041E+00 volume  0.11110E-02 ppm1      1.008 ppm2      0.190 CV     1
 OR { 5075}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 149  and name HD2%)
 ASSI { 5087}
   (  segid "    " and resid 138  and name HD2%)
   (( segid "    " and resid 14   and name HG2 ))
      3.100     1.200     1.200 peak  5087 spectrum    1 weight  0.64385E+00 volume  0.86793E-02 ppm1      0.673 ppm2      2.141 CV     1
 ASSI { 5094}
   (  segid "    " and resid 138  and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      3.600     1.600     1.600 peak  5094 spectrum    1 weight  0.62998E+00 volume  0.43533E-02 ppm1      0.672 ppm2      2.409 CV     1
 ASSI { 5095}
   (  segid "    " and resid 138  and name HD2%)
   (( segid "    " and resid 14   and name HG1 ))
      2.100     2.100     3.900 peak  5095 spectrum    1 weight  0.62703E+00 volume  0.77972E-02 ppm1      0.672 ppm2      2.035 CV     1
 ASSI { 5110}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 84   and name HA  ))
      2.400     2.400     3.600 peak  5110 spectrum    1 weight  0.47639E+00 volume  0.30401E-02 ppm1      0.993 ppm2      5.178 CV     1
 OR { 5110}
   (  segid "    " and resid 122  and name HG1%)
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 5125}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 41   and name HA2 ))
      5.900     4.300     0.100 peak  5125 spectrum    1 weight  0.34732E+00 volume  0.38256E-03 ppm1      1.142 ppm2      5.331 CV     1
 ASSI { 5154}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak  5154 spectrum    1 weight  0.55654E+00 volume  0.29999E-02 ppm1      1.143 ppm2      9.309 CV     1
 ASSI { 5157}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      4.600     2.700     1.400 peak  5157 spectrum    1 weight  0.52632E+00 volume  0.68811E-03 ppm1      1.144 ppm2      5.746 CV     1
 ASSI { 5158}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 7    and name HA  ))
      4.500     2.500     1.500 peak  5158 spectrum    1 weight  0.54378E+00 volume  0.66704E-03 ppm1      1.146 ppm2      5.510 CV     1
 ASSI { 5170}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 93   and name HB2 ))
      3.600     1.600     1.600 peak  5170 spectrum    1 weight  0.55321E+00 volume  0.61860E-02 ppm1      1.071 ppm2      3.334 CV     1
 OR { 5170}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 93   and name HB1 ))
 ASSI { 5174}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      3.300     1.400     1.400 peak  5174 spectrum    1 weight  0.61677E+00 volume  0.72339E-02 ppm1      1.068 ppm2      5.346 CV     1
 OR { 5174}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
 ASSI { 5189}
   (  segid "    " and resid 107  and name HG1%)
   (( segid "    " and resid 93   and name HB2 ))
      4.000     2.000     2.000 peak  5189 spectrum    1 weight  0.44794E+00 volume  0.15618E-02 ppm1      0.940 ppm2      3.357 CV     1
 OR { 5189}
   (  segid "    " and resid 107  and name HG2%)
   (( segid "    " and resid 93   and name HB2 ))
 ASSI { 5202}
   (  segid "    " and resid 96   and name HG2%)
   (( segid "    " and resid 100  and name HB2 ))
      5.200     3.400     0.800 peak  5202 spectrum    1 weight  0.52755E+00 volume  0.12352E-02 ppm1      0.775 ppm2      3.080 CV     1
 ASSI { 5228}
   (  segid "    " and resid 107  and name HG1%)
   (( segid "    " and resid 87   and name HA  ))
      3.200     3.200     2.800 peak  5228 spectrum    1 weight  0.53407E+00 volume  0.85463E-03 ppm1      0.940 ppm2      5.182 CV     1
 OR { 5228}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
 OR { 5228}
   (  segid "    " and resid 107  and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 5247}
   (  segid "    " and resid 96   and name HG2%)
   (  segid "    " and resid 97   and name HD2%)
      3.400     1.400     1.400 peak  5247 spectrum    1 weight  0.56434E+00 volume  0.68420E-02 ppm1      0.772 ppm2      0.346 CV     1
 OR { 5247}
   (  segid "    " and resid 96   and name HG2%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 5262}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.400     1.600 peak  5262 spectrum    1 weight  0.59068E+00 volume  0.35503E-03 ppm1      0.868 ppm2      8.869 CV     1
 OR { 5262}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
 OR { 5262}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 5283}
   (  segid "    " and resid 62   and name HD2%)
   (  segid "    " and resid 135  and name HE% )
      5.100     3.300     0.900 peak  5283 spectrum    1 weight  0.59133E+00 volume  0.50510E-03 ppm1      0.548 ppm2      6.585 CV     1
 ASSI { 5313}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      5.500     5.500     0.500 peak  5313 spectrum    1 weight  0.49665E+00 volume  0.61049E-03 ppm1      0.877 ppm2      5.583 CV     1
 OR { 5313}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 5320}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      2.800     2.800     3.200 peak  5320 spectrum    1 weight  0.53772E+00 volume  0.13762E-02 ppm1      0.817 ppm2      8.620 CV     1
 ASSI { 5346}
   (  segid "    " and resid 149  and name HD1%)
   (  segid "    " and resid 86   and name HD1%)
      4.100     2.100     1.900 peak  5346 spectrum    1 weight  0.53418E+00 volume  0.87287E-03 ppm1      0.177 ppm2      0.444 CV     1
 ASSI { 5348}
   (  segid "    " and resid 149  and name HD1%)
   (  segid "    " and resid 145  and name HD1%)
      2.200     2.200     3.800 peak  5348 spectrum    1 weight  0.59699E+00 volume  0.60803E-02 ppm1      0.179 ppm2     -0.080 CV     1
 ASSI { 5354}
   (  segid "    " and resid 145  and name HD1%)
   (  segid "    " and resid 6    and name HE% )
      5.400     3.700     0.600 peak  5354 spectrum    1 weight  0.53666E+00 volume  0.18261E-03 ppm1     -0.080 ppm2      6.864 CV     1
 ASSI { 5367}
   (  segid "    " and resid 145  and name HD1%)
   (  segid "    " and resid 149  and name HD1%)
      2.800     2.800     3.200 peak  5367 spectrum    1 weight  0.73445E+00 volume  0.14704E-01 ppm1     -0.083 ppm2      0.219 CV     1
 OR { 5367}
   (  segid "    " and resid 145  and name HD1%)
   (  segid "    " and resid 149  and name HD2%)
 ASSI { 5384}
   (  segid "    " and resid 149  and name HD1%)
   (  segid "    " and resid 145  and name HD2%)
      3.600     3.600     2.400 peak  5384 spectrum    1 weight  0.51685E+00 volume  0.20497E-02 ppm1      0.180 ppm2      0.554 CV     1
 ASSI { 5386}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 100  and name HE% )
      5.200     3.300     0.800 peak  5386 spectrum    1 weight  0.56997E+00 volume  0.12090E-02 ppm1      1.272 ppm2      7.071 CV     1
 ASSI { 5389}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.500     2.500     3.500 peak  5389 spectrum    1 weight  0.50091E+00 volume  0.27352E-02 ppm1      1.269 ppm2      4.500 CV     1
 ASSI { 5395}
   (  segid "    " and resid 110  and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak  5395 spectrum    1 weight  0.64008E+00 volume  0.90766E-02 ppm1      1.213 ppm2      5.044 CV     1
 ASSI { 5407}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      5.000     3.100     1.000 peak  5407 spectrum    1 weight  0.57821E+00 volume  0.96776E-03 ppm1      1.274 ppm2      3.715 CV     1
 ASSI { 5422}
   (  segid "    " and resid 147  and name HG1%)
   (( segid "    " and resid 144  and name HA  ))
      3.800     1.800     1.800 peak  5422 spectrum    1 weight  0.59717E+00 volume  0.14110E-02 ppm1      0.997 ppm2      4.643 CV     1
 ASSI { 5439}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 41   and name HA2 ))
      5.300     3.600     0.700 peak  5439 spectrum    1 weight  0.52895E+00 volume  0.84226E-03 ppm1      1.199 ppm2      5.328 CV     1
 ASSI { 5451}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 74   and name HD2%)
      3.500     3.500     2.500 peak  5451 spectrum    1 weight  0.69847E+00 volume  0.13144E-01 ppm1      1.195 ppm2      0.334 CV     1
 ASSI { 5459}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  5459 spectrum    1 weight  0.59135E+00 volume  0.50925E-03 ppm1      1.148 ppm2      8.869 CV     1
 ASSI { 5460}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      5.200     3.400     0.800 peak  5460 spectrum    1 weight  0.59188E+00 volume  0.61517E-03 ppm1      1.145 ppm2      8.704 CV     1
 OR { 5460}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 5461}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak  5461 spectrum    1 weight  0.63766E+00 volume  0.48907E-02 ppm1      1.147 ppm2      8.566 CV     1
 ASSI { 5477}
   (  segid "    " and resid 37   and name HG2%)
   (  segid "    " and resid 4    and name HG2%)
      3.900     1.900     1.900 peak  5477 spectrum    1 weight  0.61532E+00 volume  0.32186E-02 ppm1      1.144 ppm2      0.258 CV     1
 ASSI { 5551}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 138  and name HN  ))
      3.200     3.200     2.800 peak  5551 spectrum    1 weight  0.57369E+00 volume  0.54140E-03 ppm1      1.380 ppm2      8.168 CV     1
 ASSI { 5589}
   (  segid "    " and resid 29   and name HB% )
   (  segid "    " and resid 146  and name HD2%)
      2.100     2.100     3.900 peak  5589 spectrum    1 weight  0.56418E+00 volume  0.68329E-02 ppm1      1.441 ppm2      0.540 CV     1
 ASSI { 5591}
   (  segid "    " and resid 141  and name HB% )
   (( segid "    " and resid 145  and name HN  ))
      5.000     3.100     1.000 peak  5591 spectrum    1 weight  0.59152E+00 volume  0.54279E-03 ppm1      1.379 ppm2      9.153 CV     1
 ASSI { 5593}
   (  segid "    " and resid 141  and name HB% )
   (  segid "    " and resid 113  and name HD% )
      4.200     2.200     1.800 peak  5593 spectrum    1 weight  0.59598E+00 volume  0.12555E-02 ppm1      1.380 ppm2      7.119 CV     1
 ASSI { 5651}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 110  and name HN  ))
      3.900     1.900     1.900 peak  5651 spectrum    1 weight  0.61118E+00 volume  0.28606E-02 ppm1      0.922 ppm2      8.744 CV     1
 OR { 5651}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 5656}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      6.000     5.900     0.000 peak  5656 spectrum    1 weight  0.52224E+00 volume  0.64962E-04 ppm1      0.921 ppm2      5.199 CV     1
 ASSI { 5662}
   (  segid "    " and resid 86   and name HG2%)
   (  segid "    " and resid 145  and name HD2%)
      2.600     2.600     3.400 peak  5662 spectrum    1 weight  0.67149E+00 volume  0.12099E-01 ppm1      0.921 ppm2      0.589 CV     1
 ASSI { 5665}
   (  segid "    " and resid 86   and name HG2%)
   (  segid "    " and resid 145  and name HD1%)
      3.500     1.600     1.600 peak  5665 spectrum    1 weight  0.59881E+00 volume  0.16120E-02 ppm1      0.921 ppm2     -0.081 CV     1
 ASSI { 5666}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      5.700     4.000     0.300 peak  5666 spectrum    1 weight  0.49656E+00 volume  0.24153E-03 ppm1      0.916 ppm2      5.069 CV     1
 OR { 5666}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
 ASSI { 5675}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 109  and name HA  ))
      4.300     2.300     1.700 peak  5675 spectrum    1 weight  0.53638E+00 volume  0.15220E-02 ppm1      0.920 ppm2      4.587 CV     1
 OR { 5675}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 87   and name HB  ))
 ASSI { 5686}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak  5686 spectrum    1 weight  0.57135E+00 volume  0.43923E-02 ppm1      0.828 ppm2      5.334 CV     1
 OR { 5686}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 41   and name HA2 ))
 OR { 5686}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 5687}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 92   and name HA  ))
      4.800     2.900     1.200 peak  5687 spectrum    1 weight  0.59381E+00 volume  0.94436E-03 ppm1      0.829 ppm2      4.746 CV     1
 OR { 5687}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 5694}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 74   and name HD2%)
      3.100     1.200     1.200 peak  5694 spectrum    1 weight  0.74447E+00 volume  0.10685E-01 ppm1      0.829 ppm2      0.340 CV     1
 ASSI { 5704}
   (  segid "    " and resid 64   and name HG2%)
   (  segid "    " and resid 20   and name HD% )
      6.000     4.800     0.000 peak  5704 spectrum    1 weight  0.58995E+00 volume  0.12946E-03 ppm1      0.876 ppm2      7.426 CV     1
 ASSI { 5706}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      2.600     2.600     3.400 peak  5706 spectrum    1 weight  0.62194E+00 volume  0.37517E-02 ppm1      0.874 ppm2      3.335 CV     1
 OR { 5706}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 5709}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
      3.200     3.200     2.800 peak  5709 spectrum    1 weight  0.56298E+00 volume  0.40361E-02 ppm1      0.873 ppm2      2.607 CV     1
 ASSI { 5713}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  5713 spectrum    1 weight  0.59728E+00 volume  0.14254E-02 ppm1      0.826 ppm2      7.937 CV     1
 ASSI { 5714}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      4.500     2.600     1.500 peak  5714 spectrum    1 weight  0.53971E+00 volume  0.16204E-02 ppm1      0.827 ppm2      5.188 CV     1
 ASSI { 5715}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 87   and name HB  ))
      5.000     3.100     1.000 peak  5715 spectrum    1 weight  0.53531E+00 volume  0.10451E-02 ppm1      0.829 ppm2      4.554 CV     1
 OR { 5715}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 5716}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 92   and name HB1 ))
      4.500     2.600     1.500 peak  5716 spectrum    1 weight  0.54447E+00 volume  0.21429E-02 ppm1      0.831 ppm2      2.632 CV     1
 OR { 5716}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 5731}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      5.500     3.800     0.500 peak  5731 spectrum    1 weight  0.59083E+00 volume  0.39246E-03 ppm1      0.253 ppm2      8.558 CV     1
 ASSI { 5733}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 86   and name HN  ))
      6.000     6.000     0.000 peak  5733 spectrum    1 weight  0.54623E+00 volume  0.69609E-04 ppm1      0.251 ppm2      9.125 CV     1
 OR { 5733}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 5734}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      5.100     3.300     0.900 peak  5734 spectrum    1 weight  0.59162E+00 volume  0.56372E-03 ppm1      0.247 ppm2      8.682 CV     1
 OR { 5734}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
 OR { 5734}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 149  and name HN  ))
 ASSI { 5735}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.400     1.400 peak  5735 spectrum    1 weight  0.61558E+00 volume  0.32400E-02 ppm1      0.251 ppm2      8.402 CV     1
 ASSI { 5736}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
      6.000     6.000     0.000 peak  5736 spectrum    1 weight  0.53066E+00 volume  0.70741E-04 ppm1      0.245 ppm2      7.431 CV     1
 ASSI { 5753}
   (  segid "    " and resid 4    and name HG2%)
   (  segid "    " and resid 145  and name HD2%)
      3.600     3.600     2.400 peak  5753 spectrum    1 weight  0.58684E+00 volume  0.54439E-02 ppm1      0.250 ppm2      0.569 CV     1
 OR { 5753}
   (  segid "    " and resid 4    and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
 OR { 5753}
   (  segid "    " and resid 4    and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 5754}
   (  segid "    " and resid 4    and name HG2%)
   (  segid "    " and resid 86   and name HD1%)
      2.300     2.300     3.700 peak  5754 spectrum    1 weight  0.79195E+00 volume  0.15156E-01 ppm1      0.249 ppm2      0.442 CV     1
 ASSI { 5791}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.700     1.300 peak  5791 spectrum    1 weight  0.54453E+00 volume  0.21487E-02 ppm1      0.734 ppm2      8.870 CV     1
 ASSI { 5796}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.400     1.700 peak  5796 spectrum    1 weight  0.54379E+00 volume  0.20724E-02 ppm1      0.735 ppm2      3.322 CV     1
 ASSI { 5799}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      4.600     2.700     1.400 peak  5799 spectrum    1 weight  0.53988E+00 volume  0.16400E-02 ppm1      0.739 ppm2      2.536 CV     1
 OR { 5799}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HG1 ))
 OR { 5799}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 5805}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 141  and name HN  ))
      4.900     3.000     1.100 peak  5805 spectrum    1 weight  0.55313E+00 volume  0.56638E-03 ppm1      0.641 ppm2      8.747 CV     1
 OR { 5805}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 139  and name HN  ))
 ASSI { 5806}
   (  segid "    " and resid 137  and name HG2%)
   (( segid "    " and resid 138  and name HN  ))
      4.400     2.400     1.600 peak  5806 spectrum    1 weight  0.54904E+00 volume  0.15790E-02 ppm1      0.639 ppm2      8.174 CV     1
 ASSI { 5906}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak  5906 spectrum    1 weight  0.54756E+00 volume  0.24500E-02 ppm1      0.690 ppm2      9.112 CV     1
 OR { 5906}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 5909}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      4.500     2.600     1.500 peak  5909 spectrum    1 weight  0.53537E+00 volume  0.10549E-02 ppm1      0.690 ppm2      5.348 CV     1
 OR { 5909}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
 OR { 5909}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 5910}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      4.600     2.700     1.400 peak  5910 spectrum    1 weight  0.53492E+00 volume  0.98837E-03 ppm1      0.690 ppm2      5.181 CV     1
 ASSI { 5911}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      3.800     1.800     1.800 peak  5911 spectrum    1 weight  0.54431E+00 volume  0.21264E-02 ppm1      0.691 ppm2      5.055 CV     1
 ASSI { 5918}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      2.500     2.500     3.500 peak  5918 spectrum    1 weight  0.77340E+00 volume  0.14430E-01 ppm1      0.691 ppm2      0.339 CV     1
 ASSI { 5919}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      4.900     3.000     1.100 peak  5919 spectrum    1 weight  0.55499E+00 volume  0.80649E-03 ppm1      0.526 ppm2      8.881 CV     1
 ASSI { 5923}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      4.500     2.500     1.500 peak  5923 spectrum    1 weight  0.56221E+00 volume  0.13109E-02 ppm1      0.526 ppm2      0.134 CV     1
 ASSI { 5935}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 21   and name HD1%)
      3.700     1.700     1.700 peak  5935 spectrum    1 weight  0.56619E+00 volume  0.40133E-02 ppm1      0.136 ppm2      0.548 CV     1
 ASSI { 5936}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     6.000     0.000 peak  5936 spectrum    1 weight  0.55523E+00 volume  0.35371E-04 ppm1      0.131 ppm2      8.648 CV     1
 ASSI { 5937}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  5937 spectrum    1 weight  0.62268E+00 volume  0.38090E-02 ppm1      0.133 ppm2      8.168 CV     1
 ASSI { 5941}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      4.200     2.300     1.800 peak  5941 spectrum    1 weight  0.59512E+00 volume  0.11374E-02 ppm1      0.132 ppm2      3.462 CV     1
 ASSI { 5950}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 138  and name HD2%)
      2.600     0.800     0.800 peak  5950 spectrum    1 weight  0.86391E+00 volume  0.24015E-01 ppm1      0.134 ppm2      0.718 CV     1
 ASSI { 5954}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 142  and name HN  ))
      4.300     2.400     1.700 peak  5954 spectrum    1 weight  0.59974E+00 volume  0.17205E-02 ppm1      0.522 ppm2      8.754 CV     1
 OR { 5954}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 139  and name HN  ))
 ASSI { 5956}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.700     0.000 peak  5956 spectrum    1 weight  0.59074E+00 volume  0.36950E-03 ppm1      0.524 ppm2      8.164 CV     1
 OR { 5956}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 138  and name HN  ))
 ASSI { 5959}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      4.600     2.600     1.400 peak  5959 spectrum    1 weight  0.51258E+00 volume  0.15721E-02 ppm1      0.525 ppm2      3.433 CV     1
 OR { 5959}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 139  and name HB1 ))
 ASSI { 5960}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak  5960 spectrum    1 weight  0.55610E+00 volume  0.37028E-02 ppm1      0.523 ppm2      3.317 CV     1
 ASSI { 5978}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HD2 ))
      6.000     6.000     0.000 peak  5978 spectrum    1 weight  0.46369E+00 volume  0.35205E-04 ppm1      0.138 ppm2      3.161 CV     1
 OR { 5978}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 6007}
   (  segid "    " and resid 110  and name HD1%)
   (  segid "    " and resid 145  and name HD1%)
      3.700     1.700     1.700 peak  6007 spectrum    1 weight  0.57386E+00 volume  0.18738E-02 ppm1      0.928 ppm2     -0.080 CV     1
 ASSI { 6011}
   (  segid "    " and resid 110  and name HD1%)
   (( segid "    " and resid 145  and name HN  ))
      4.600     2.700     1.400 peak  6011 spectrum    1 weight  0.59157E+00 volume  0.55346E-03 ppm1      0.926 ppm2      9.143 CV     1
 ASSI { 6030}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 86   and name HD1%)
      3.900     1.900     1.900 peak  6030 spectrum    1 weight  0.55189E+00 volume  0.59880E-02 ppm1      0.710 ppm2      0.432 CV     1
 ASSI { 6032}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      5.900     4.400     0.100 peak  6032 spectrum    1 weight  0.58527E+00 volume  0.55224E-03 ppm1      0.707 ppm2      8.407 CV     1
 ASSI { 6033}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 84   and name HN  ))
      4.700     2.800     1.300 peak  6033 spectrum    1 weight  0.55430E+00 volume  0.56925E-03 ppm1      0.704 ppm2      7.439 CV     1
 ASSI { 6042}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.600     1.500 peak  6042 spectrum    1 weight  0.57882E+00 volume  0.53575E-03 ppm1      0.451 ppm2      8.411 CV     1
 ASSI { 6045}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      4.000     2.000     2.000 peak  6045 spectrum    1 weight  0.49972E+00 volume  0.72410E-03 ppm1      0.457 ppm2      5.164 CV     1
 OR { 6045}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 6046}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      4.000     2.000     2.000 peak  6046 spectrum    1 weight  0.48307E+00 volume  0.11329E-02 ppm1      0.454 ppm2      5.073 CV     1
 ASSI { 6056}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 4    and name HG2%)
      2.100     0.600     0.600 peak  6056 spectrum    1 weight  0.81839E+00 volume  0.34831E-01 ppm1      0.451 ppm2      0.252 CV     1
 OR { 6056}
   (  segid "    " and resid 86   and name HD1%)
   (  segid "    " and resid 149  and name HD1%)
 ASSI { 6065}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 126  and name HD1 ))
      5.600     3.900     0.400 peak  6065 spectrum    1 weight  0.59038E+00 volume  0.27552E-03 ppm1      0.330 ppm2      5.809 CV     1
 ASSI { 6067}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 16   and name HD2 ))
      4.400     2.400     1.600 peak  6067 spectrum    1 weight  0.58001E+00 volume  0.75907E-03 ppm1      0.327 ppm2      3.722 CV     1
 ASSI { 6074}
   (  segid "    " and resid 137  and name HD1%)
   (( segid "    " and resid 138  and name HN  ))
      3.000     3.000     3.000 peak  6074 spectrum    1 weight  0.59093E+00 volume  0.88588E-03 ppm1     -0.105 ppm2      8.168 CV     1
 ASSI { 6096}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      4.800     2.900     1.200 peak  6096 spectrum    1 weight  0.45482E+00 volume  0.38118E-03 ppm1      0.708 ppm2      8.871 CV     1
 ASSI { 6117}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      2.700     2.700     3.300 peak  6117 spectrum    1 weight  0.47650E+00 volume  0.14638E-02 ppm1      0.703 ppm2      8.688 CV     1
 OR { 6117}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 6118}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      6.000     5.500     0.000 peak  6118 spectrum    1 weight  0.45683E+00 volume  0.13823E-03 ppm1      0.702 ppm2      5.554 CV     1
 ASSI { 6119}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      3.700     3.700     2.300 peak  6119 spectrum    1 weight  0.55179E+00 volume  0.24864E-03 ppm1      0.703 ppm2      4.997 CV     1
 ASSI { 6130}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      2.600     2.600     3.400 peak  6130 spectrum    1 weight  0.54428E+00 volume  0.21234E-02 ppm1      0.702 ppm2      8.570 CV     1
 ASSI { 6149}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak  6149 spectrum    1 weight  0.59070E+00 volume  0.36034E-03 ppm1      5.039 ppm2      8.387 CV     1
 ASSI {   31}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.55122E+00 volume  0.57860E-02 ppm1      4.644 ppm2      8.146 CV     1
 ASSI {  222}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 140  and name HD2%)
      3.700     1.700     1.700 peak   222 spectrum    1 weight  0.61409E+00 volume  0.29715E-02 ppm1      3.224 ppm2      0.888 CV     1
 ASSI {  223}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 141  and name HB% )
      5.000     3.100     1.000 peak   223 spectrum    1 weight  0.66835E+00 volume  0.50030E-03 ppm1      3.219 ppm2      1.361 CV     1
 ASSI {  278}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.85171E+00 volume  0.16587E-01 ppm1      4.396 ppm2      9.139 CV     1
 ASSI {  366}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      3.100     1.200     1.200 peak   366 spectrum    1 weight  0.58620E+00 volume  0.51544E-02 ppm1      3.625 ppm2      0.775 CV     1
 ASSI {  367}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.000     1.100     1.100 peak   367 spectrum    1 weight  0.60868E+00 volume  0.64631E-02 ppm1      3.623 ppm2      0.515 CV     1
 ASSI {  373}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.200     1.200 peak   373 spectrum    1 weight  0.60589E+00 volume  0.22597E-02 ppm1      4.185 ppm2      8.257 CV     1
 ASSI {  383}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
      2.600     0.800     0.800 peak   383 spectrum    1 weight  0.86391E+00 volume  0.35268E-01 ppm1      3.846 ppm2      0.670 CV     1
 ASSI {  406}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak   406 spectrum    1 weight  0.60112E+00 volume  0.17891E-02 ppm1      4.499 ppm2      9.405 CV     1
 ASSI {  410}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.000     0.500     0.500 peak   410 spectrum    1 weight  0.74552E+00 volume  0.10240E-01 ppm1      4.433 ppm2      8.978 CV     1
 ASSI {  438}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.800     1.800 peak   438 spectrum    1 weight  0.76992E+00 volume  0.11283E-01 ppm1      3.896 ppm2      7.934 CV     1
 ASSI {  439}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.300     1.300 peak   439 spectrum    1 weight  0.62756E+00 volume  0.39847E-02 ppm1      3.894 ppm2      7.047 CV     1
 ASSI {  445}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.800     0.800 peak   445 spectrum    1 weight  0.67759E+00 volume  0.98526E-02 ppm1      4.611 ppm2      9.040 CV     1
 ASSI {  449}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HB1 ))
      3.600     1.600     1.600 peak   449 spectrum    1 weight  0.65313E+00 volume  0.87271E-02 ppm1      4.611 ppm2      2.638 CV     1
 ASSI {  476}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   476 spectrum    1 weight  0.67701E+00 volume  0.69589E-02 ppm1      4.248 ppm2      8.051 CV     1
 ASSI {  515}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.000     1.100     1.100 peak   515 spectrum    1 weight  0.69919E+00 volume  0.80932E-02 ppm1      4.212 ppm2      7.867 CV     1
 ASSI {  588}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      1.900     0.500     0.500 peak   588 spectrum    1 weight  0.86391E+00 volume  0.17260E-01 ppm1      3.928 ppm2      8.524 CV     1
 ASSI {  594}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.300     1.400     1.400 peak   594 spectrum    1 weight  0.61789E+00 volume  0.32732E-02 ppm1      4.626 ppm2      7.137 CV     1
 ASSI {  616}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA2 ))
      6.000     4.800     0.000 peak   616 spectrum    1 weight  0.53123E+00 volume  0.26662E-03 ppm1      3.919 ppm2      3.516 CV     1
 ASSI {  623}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.59400E+00 volume  0.80680E-02 ppm1      4.291 ppm2      7.232 CV     1
 ASSI {  641}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   641 spectrum    1 weight  0.64905E+00 volume  0.53793E-02 ppm1      4.301 ppm2      8.662 CV     1
 ASSI {  651}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.66771E+00 volume  0.64555E-02 ppm1      3.684 ppm2      6.320 CV     1
 ASSI {  694}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak   694 spectrum    1 weight  0.64201E+00 volume  0.49444E-02 ppm1      3.569 ppm2      7.410 CV     1
 ASSI {  724}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
      2.800     1.000     1.000 peak   724 spectrum    1 weight  0.62222E+00 volume  0.36004E-02 ppm1      4.415 ppm2      5.117 CV     1
 ASSI {  726}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      2.100     0.600     0.600 peak   726 spectrum    1 weight  0.82626E+00 volume  0.15699E-01 ppm1      4.411 ppm2      8.035 CV     1
 ASSI {  730}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 122  and name HG1%)
      3.000     1.100     1.100 peak   730 spectrum    1 weight  0.71642E+00 volume  0.11519E-01 ppm1      4.408 ppm2      0.808 CV     1
 ASSI {  749}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      2.400     0.700     0.700 peak   749 spectrum    1 weight  0.79225E+00 volume  0.14471E-01 ppm1      4.519 ppm2      7.785 CV     1
 ASSI {  756}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak   756 spectrum    1 weight  0.81839E+00 volume  0.23003E-01 ppm1      4.466 ppm2      8.123 CV     1
 ASSI {  762}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      4.200     2.200     1.800 peak   762 spectrum    1 weight  0.60866E+00 volume  0.25111E-02 ppm1      4.460 ppm2      3.946 CV     1
 ASSI {  766}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      3.300     1.400     1.400 peak   766 spectrum    1 weight  0.61392E+00 volume  0.29577E-02 ppm1      4.643 ppm2      7.647 CV     1
 ASSI {  807}
   (( segid "    " and resid 123  and name HD1 ))
   (  segid "    " and resid 122  and name HG1%)
      4.700     2.700     1.300 peak   807 spectrum    1 weight  0.59886E+00 volume  0.15430E-02 ppm1      3.262 ppm2      0.825 CV     1
 ASSI {  811}
   (( segid "    " and resid 115  and name HD2 ))
   (( segid "    " and resid 114  and name HN  ))
      5.100     3.200     0.900 peak   811 spectrum    1 weight  0.59705E+00 volume  0.13313E-02 ppm1      3.228 ppm2      7.598 CV     1
 ASSI {  812}
   (( segid "    " and resid 115  and name HD2 ))
   (( segid "    " and resid 114  and name HA  ))
      4.100     2.100     1.900 peak   812 spectrum    1 weight  0.59138E+00 volume  0.49106E-03 ppm1      3.225 ppm2      4.945 CV     1
 ASSI {  815}
   (( segid "    " and resid 115  and name HD1 ))
   (( segid "    " and resid 114  and name HA  ))
      2.900     1.000     1.000 peak   815 spectrum    1 weight  0.60646E+00 volume  0.23126E-02 ppm1      3.442 ppm2      4.949 CV     1
 ASSI {  847}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.200     2.300     1.800 peak   847 spectrum    1 weight  0.61106E+00 volume  0.32311E-02 ppm1      3.716 ppm2      4.693 CV     1
 OR {  847}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  847}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 50   and name HA2 ))
 ASSI {  866}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   866 spectrum    1 weight  0.86391E+00 volume  0.28910E-01 ppm1      4.291 ppm2      3.910 CV     1
 ASSI {  867}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 73   and name HB1 ))
      2.100     0.500     0.500 peak   867 spectrum    1 weight  0.61716E+00 volume  0.32159E-02 ppm1      4.289 ppm2      2.019 CV     1
 ASSI {  872}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   872 spectrum    1 weight  0.64906E+00 volume  0.53795E-02 ppm1      3.888 ppm2      4.698 CV     1
 ASSI {  884}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 73   and name HB1 ))
      4.200     2.200     1.800 peak   884 spectrum    1 weight  0.60474E+00 volume  0.21511E-02 ppm1      3.896 ppm2      1.998 CV     1
 ASSI {  888}
   (( segid "    " and resid 48   and name HA2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.000     2.000     2.000 peak   888 spectrum    1 weight  0.62129E+00 volume  0.35316E-02 ppm1      3.507 ppm2      3.916 CV     1
 ASSI {  903}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 124  and name HB2 ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.51226E+00 volume  0.38944E-03 ppm1      2.957 ppm2      3.356 CV     1
 ASSI {  905}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 57   and name HB1 ))
      3.900     1.900     1.900 peak   905 spectrum    1 weight  0.62987E+00 volume  0.41456E-02 ppm1      2.955 ppm2      2.485 CV     1
 OR {  905}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  940}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.700     0.000 peak   940 spectrum    1 weight  0.53123E+00 volume  0.26716E-03 ppm1      2.134 ppm2      7.182 CV     1
 OR {  940}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
 ASSI {  941}
   (( segid "    " and resid 83   and name HB1 ))
   (  segid "    " and resid 84   and name HD% )
      5.500     3.700     0.500 peak   941 spectrum    1 weight  0.59323E+00 volume  0.81273E-03 ppm1      2.125 ppm2      7.057 CV     1
 ASSI {  958}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 4    and name HG2%)
      3.900     1.900     1.900 peak   958 spectrum    1 weight  0.58210E+00 volume  0.10361E-02 ppm1      2.466 ppm2      0.241 CV     1
 OR {  958}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 149  and name HD2%)
 ASSI {  974}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 73   and name HA  ))
      5.400     3.600     0.600 peak   974 spectrum    1 weight  0.59271E+00 volume  0.72957E-03 ppm1      3.588 ppm2      4.704 CV     1
 ASSI {  991}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.400     1.500     1.500 peak   991 spectrum    1 weight  0.61098E+00 volume  0.27123E-02 ppm1      3.608 ppm2      9.886 CV     1
 ASSI {  996}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.200     1.200 peak   996 spectrum    1 weight  0.58352E+00 volume  0.25569E-02 ppm1      3.577 ppm2      8.935 CV     1
 ASSI { 1032}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      4.000     2.000     2.000 peak  1032 spectrum    1 weight  0.60565E+00 volume  0.22370E-02 ppm1      2.446 ppm2      9.888 CV     1
 ASSI { 1101}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 103  and name HG2%)
      3.300     1.300     1.300 peak  1101 spectrum    1 weight  0.65224E+00 volume  0.10734E-01 ppm1      2.853 ppm2      0.941 CV     1
 ASSI { 1114}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      5.000     3.200     1.000 peak  1114 spectrum    1 weight  0.41542E+00 volume  0.85069E-03 ppm1      2.718 ppm2      3.690 CV     1
 OR { 1114}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1147}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      4.900     3.100     1.100 peak  1147 spectrum    1 weight  0.57362E+00 volume  0.93476E-03 ppm1      3.195 ppm2      5.445 CV     1
 ASSI { 1152}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.400     0.700     0.700 peak  1152 spectrum    1 weight  0.64054E+00 volume  0.81187E-02 ppm1      3.068 ppm2      9.472 CV     1
 ASSI { 1265}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.500     1.600     1.600 peak  1265 spectrum    1 weight  0.52230E+00 volume  0.27845E-02 ppm1      2.855 ppm2      5.411 CV     1
 ASSI { 1300}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.900     0.000 peak  1300 spectrum    1 weight  0.33535E+00 volume  0.26927E-03 ppm1      2.847 ppm2      9.484 CV     1
 ASSI { 1302}
   (( segid "    " and resid 58   and name HE1 ))
   (( segid "    " and resid 139  and name HB1 ))
      4.200     2.200     1.800 peak  1302 spectrum    1 weight  0.53579E+00 volume  0.24182E-02 ppm1      2.683 ppm2      3.380 CV     1
 ASSI { 1326}
   (( segid "    " and resid 58   and name HE2 ))
   (  segid "    " and resid 62   and name HD2%)
      5.600     4.000     0.400 peak  1326 spectrum    1 weight  0.49813E+00 volume  0.27088E-03 ppm1      2.378 ppm2      0.296 CV     1
 ASSI { 1352}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 133  and name HN  ))
      3.800     1.800     1.800 peak  1352 spectrum    1 weight  0.33914E+00 volume  0.30921E-02 ppm1      2.913 ppm2      7.666 CV     1
 OR { 1352}
   (( segid "    " and resid 132  and name HB2 ))
   (( segid "    " and resid 130  and name HD21))
 ASSI { 1357}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.700     0.000 peak  1357 spectrum    1 weight  0.51250E+00 volume  0.25492E-03 ppm1      2.528 ppm2      8.508 CV     1
 OR { 1357}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 1359}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.000     1.100 peak  1359 spectrum    1 weight  0.59284E+00 volume  0.75165E-03 ppm1      2.208 ppm2      4.708 CV     1
 ASSI { 1371}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      3.400     1.500     1.500 peak  1371 spectrum    1 weight  0.58095E+00 volume  0.34338E-02 ppm1      3.307 ppm2      4.650 CV     1
 OR { 1371}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 90   and name HA  ))
 OR { 1371}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 1392}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      3.100     1.200     1.200 peak  1392 spectrum    1 weight  0.61698E+00 volume  0.69134E-02 ppm1      2.415 ppm2      7.275 CV     1
 ASSI { 1400}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  1400 spectrum    1 weight  0.60606E+00 volume  0.22750E-02 ppm1      2.039 ppm2      7.272 CV     1
 ASSI { 1404}
   (( segid "    " and resid 137  and name HB  ))
   (( segid "    " and resid 138  and name HN  ))
      2.800     1.000     1.000 peak  1404 spectrum    1 weight  0.56050E+00 volume  0.20849E-02 ppm1      1.342 ppm2      8.165 CV     1
 ASSI { 1449}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      4.700     2.800     1.300 peak  1449 spectrum    1 weight  0.48596E+00 volume  0.25943E-03 ppm1      1.756 ppm2      4.741 CV     1
 ASSI { 1470}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak  1470 spectrum    1 weight  0.45087E+00 volume  0.15766E-02 ppm1      1.569 ppm2      1.112 CV     1
 OR { 1470}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1477}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.400     0.000 peak  1477 spectrum    1 weight  0.56674E+00 volume  0.37322E-03 ppm1      1.730 ppm2      3.302 CV     1
 ASSI { 1496}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 89   and name HB2 ))
      4.800     2.900     1.200 peak  1496 spectrum    1 weight  0.41985E+00 volume  0.25090E-02 ppm1      2.759 ppm2      2.440 CV     1
 ASSI { 1534}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      4.600     2.600     1.400 peak  1534 spectrum    1 weight  0.60124E+00 volume  0.18021E-02 ppm1      2.708 ppm2      3.306 CV     1
 OR { 1534}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1631}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      5.200     3.400     0.800 peak  1631 spectrum    1 weight  0.52425E+00 volume  0.16236E-02 ppm1      1.918 ppm2      4.725 CV     1
 OR { 1631}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1632}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     5.900     0.000 peak  1632 spectrum    1 weight  0.29639E+00 volume  0.13355E-03 ppm1      2.317 ppm2      8.496 CV     1
 ASSI { 1660}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 90   and name HA  ))
      4.700     2.800     1.300 peak  1660 spectrum    1 weight  0.32038E+00 volume  0.66709E-04 ppm1      2.197 ppm2      4.712 CV     1
 OR { 1660}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 1663}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 89   and name HA  ))
      4.400     2.400     1.600 peak  1663 spectrum    1 weight  0.55062E+00 volume  0.85258E-03 ppm1      2.166 ppm2      5.120 CV     1
 ASSI { 1668}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.200     1.300     1.300 peak  1668 spectrum    1 weight  0.59833E+00 volume  0.14835E-02 ppm1      2.165 ppm2      9.903 CV     1
 ASSI { 1671}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 92   and name HB1 ))
      4.500     2.600     1.500 peak  1671 spectrum    1 weight  0.59200E+00 volume  0.13901E-02 ppm1      2.028 ppm2      2.585 CV     1
 ASSI { 1678}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
      4.600     2.600     1.400 peak  1678 spectrum    1 weight  0.61360E+00 volume  0.29310E-02 ppm1      1.963 ppm2      7.226 CV     1
 OR { 1678}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1681}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      5.200     3.400     0.800 peak  1681 spectrum    1 weight  0.59340E+00 volume  0.84002E-03 ppm1      1.946 ppm2      4.859 CV     1
 ASSI { 1690}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      5.600     4.000     0.400 peak  1690 spectrum    1 weight  0.59044E+00 volume  0.27695E-03 ppm1      1.972 ppm2      4.886 CV     1
 ASSI { 1693}
   (( segid "    " and resid 133  and name HG1 ))
   (  segid "    " and resid 137  and name HD1%)
      4.800     2.900     1.200 peak  1693 spectrum    1 weight  0.59307E+00 volume  0.78851E-03 ppm1      1.878 ppm2     -0.115 CV     1
 ASSI { 1694}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 124  and name HA  ))
      3.100     1.200     1.200 peak  1694 spectrum    1 weight  0.62387E+00 volume  0.60035E-02 ppm1      1.873 ppm2      4.713 CV     1
 ASSI { 1715}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 44   and name HA2 ))
      4.200     2.200     1.800 peak  1715 spectrum    1 weight  0.54620E+00 volume  0.22109E-02 ppm1      2.022 ppm2      3.912 CV     1
 ASSI { 1747}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      6.000     5.800     0.000 peak  1747 spectrum    1 weight  0.48794E+00 volume  0.13213E-03 ppm1      1.828 ppm2      9.864 CV     1
 ASSI { 1748}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      4.000     2.000     2.000 peak  1748 spectrum    1 weight  0.62998E+00 volume  0.57399E-02 ppm1      1.828 ppm2      5.129 CV     1
 ASSI { 1749}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 89   and name HB1 ))
      3.900     1.900     1.900 peak  1749 spectrum    1 weight  0.62837E+00 volume  0.40420E-02 ppm1      1.826 ppm2      3.616 CV     1
 ASSI { 1757}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      5.100     3.200     0.900 peak  1757 spectrum    1 weight  0.59462E+00 volume  0.10167E-02 ppm1      2.230 ppm2      9.872 CV     1
 ASSI { 1758}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 89   and name HB1 ))
      3.400     1.500     1.500 peak  1758 spectrum    1 weight  0.62142E+00 volume  0.35407E-02 ppm1      2.228 ppm2      3.624 CV     1
 ASSI { 1759}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
      4.000     2.000     2.000 peak  1759 spectrum    1 weight  0.62149E+00 volume  0.35459E-02 ppm1      2.225 ppm2      5.118 CV     1
 ASSI { 1783}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.800     1.800     1.800 peak  1783 spectrum    1 weight  0.62074E+00 volume  0.71123E-02 ppm1      2.483 ppm2      6.992 CV     1
 ASSI { 1785}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 138  and name HD2%)
      2.900     1.100     1.100 peak  1785 spectrum    1 weight  0.81839E+00 volume  0.17754E-01 ppm1      2.412 ppm2      0.665 CV     1
 ASSI { 1792}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  1792 spectrum    1 weight  0.60403E+00 volume  0.20823E-02 ppm1      1.645 ppm2      8.585 CV     1
 OR { 1792}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1816}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      4.800     2.900     1.200 peak  1816 spectrum    1 weight  0.51413E+00 volume  0.20461E-02 ppm1      2.474 ppm2      0.512 CV     1
 OR { 1816}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 146  and name HD2%)
 ASSI { 1819}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.200     2.200     1.800 peak  1819 spectrum    1 weight  0.59432E+00 volume  0.97547E-03 ppm1      2.453 ppm2      8.598 CV     1
 OR { 1819}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1822}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 63   and name HB1 ))
      3.900     1.900     1.900 peak  1822 spectrum    1 weight  0.63874E+00 volume  0.47358E-02 ppm1      2.416 ppm2      3.060 CV     1
 OR { 1822}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1835}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.400     2.400     1.600 peak  1835 spectrum    1 weight  0.59850E+00 volume  0.15027E-02 ppm1      1.810 ppm2      7.432 CV     1
 ASSI { 1839}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 138  and name HN  ))
      5.100     3.300     0.900 peak  1839 spectrum    1 weight  0.45783E+00 volume  0.11863E-02 ppm1      2.388 ppm2      8.199 CV     1
 OR { 1839}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 138  and name HN  ))
 ASSI { 1846}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak  1846 spectrum    1 weight  0.55505E+00 volume  0.60072E-02 ppm1      1.804 ppm2      8.132 CV     1
 ASSI { 1857}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      5.200     3.300     0.800 peak  1857 spectrum    1 weight  0.38060E+00 volume  0.24735E-03 ppm1      2.127 ppm2      1.144 CV     1
 OR { 1857}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1869}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  1869 spectrum    1 weight  0.50343E+00 volume  0.37412E-02 ppm1      2.123 ppm2      8.271 CV     1
 ASSI { 1878}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
      3.100     1.200     1.200 peak  1878 spectrum    1 weight  0.68951E+00 volume  0.76084E-02 ppm1      1.626 ppm2      4.697 CV     1
 ASSI { 1898}
   (( segid "    " and resid 147  and name HB  ))
   (( segid "    " and resid 144  and name HA  ))
      2.900     1.000     1.000 peak  1898 spectrum    1 weight  0.60377E+00 volume  0.61894E-02 ppm1      2.268 ppm2      4.636 CV     1
 ASSI { 1922}
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1922 spectrum    1 weight  0.63945E+00 volume  0.47820E-02 ppm1      1.967 ppm2      7.262 CV     1
 ASSI { 1946}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak  1946 spectrum    1 weight  0.61360E+00 volume  0.29312E-02 ppm1      1.709 ppm2      7.239 CV     1
 ASSI { 1948}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.700     2.700     1.300 peak  1948 spectrum    1 weight  0.59561E+00 volume  0.11499E-02 ppm1      1.642 ppm2      7.202 CV     1
 ASSI { 1992}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.600     1.600 peak  1992 spectrum    1 weight  0.61524E+00 volume  0.30637E-02 ppm1      1.997 ppm2      8.154 CV     1
 OR { 1992}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2026}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 124  and name HA  ))
      3.900     1.900     1.900 peak  2026 spectrum    1 weight  0.63038E+00 volume  0.54059E-02 ppm1      2.767 ppm2      4.696 CV     1
 ASSI { 2046}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  2046 spectrum    1 weight  0.60875E+00 volume  0.25190E-02 ppm1      2.106 ppm2      8.466 CV     1
 OR { 2046}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 2104}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.200     2.200     1.800 peak  2104 spectrum    1 weight  0.39413E+00 volume  0.32347E-02 ppm1      1.174 ppm2      4.739 CV     1
 ASSI { 2139}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak  2139 spectrum    1 weight  0.45065E+00 volume  0.67347E-04 ppm1      1.742 ppm2      8.372 CV     1
 ASSI { 2191}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  2191 spectrum    1 weight  0.55583E+00 volume  0.14615E-02 ppm1      2.080 ppm2      7.035 CV     1
 ASSI { 2192}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 62   and name HD1%)
      4.200     2.200     1.800 peak  2192 spectrum    1 weight  0.57746E+00 volume  0.34586E-02 ppm1      2.082 ppm2      0.530 CV     1
 ASSI { 2206}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 138  and name HD2%)
      3.800     1.800     1.800 peak  2206 spectrum    1 weight  0.62891E+00 volume  0.40796E-02 ppm1      2.126 ppm2      0.635 CV     1
 ASSI { 2207}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 138  and name HD2%)
      4.000     2.000     2.000 peak  2207 spectrum    1 weight  0.64284E+00 volume  0.49964E-02 ppm1      2.031 ppm2      0.667 CV     1
 ASSI { 2275}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 100  and name HE% )
      2.800     1.000     1.000 peak  2275 spectrum    1 weight  0.59098E+00 volume  0.54456E-02 ppm1      0.315 ppm2      7.067 CV     1
 ASSI { 2276}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     6.000     0.000 peak  2276 spectrum    1 weight  0.58998E+00 volume  0.13696E-03 ppm1      0.316 ppm2      6.315 CV     1
 ASSI { 2311}
   (  segid "    " and resid 117  and name HD2%)
   (( segid "    " and resid 137  and name HG11))
      3.200     1.300     1.300 peak  2311 spectrum    1 weight  0.44342E+00 volume  0.49515E-02 ppm1      1.013 ppm2      0.306 CV     1
 ASSI { 2344}
   (( segid "    " and resid 58   and name HD2 ))
   (  segid "    " and resid 62   and name HD2%)
      4.600     2.600     1.400 peak  2344 spectrum    1 weight  0.49807E+00 volume  0.94668E-03 ppm1      1.528 ppm2      0.283 CV     1
 OR { 2344}
   (( segid "    " and resid 58   and name HD1 ))
   (  segid "    " and resid 62   and name HD2%)
 ASSI { 2349}
   (( segid "    " and resid 86   and name HG11))
   (  segid "    " and resid 4    and name HG2%)
      2.900     1.100     1.100 peak  2349 spectrum    1 weight  0.59613E+00 volume  0.10849E-01 ppm1      0.984 ppm2      0.243 CV     1
 OR { 2349}
   (( segid "    " and resid 86   and name HG11))
   (  segid "    " and resid 149  and name HD2%)
 ASSI { 2425}
   (( segid "    " and resid 149  and name HG  ))
   (  segid "    " and resid 4    and name HD1%)
      4.300     2.300     1.700 peak  2425 spectrum    1 weight  0.55614E+00 volume  0.10947E-02 ppm1      1.629 ppm2      0.633 CV     1
 ASSI { 2431}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.900     3.000     1.100 peak  2431 spectrum    1 weight  0.59327E+00 volume  0.81963E-03 ppm1      1.023 ppm2      8.903 CV     1
 OR { 2431}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 2438}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  2438 spectrum    1 weight  0.66826E+00 volume  0.94311E-02 ppm1      0.864 ppm2      6.331 CV     1
 OR { 2438}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2576}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak  2576 spectrum    1 weight  0.60783E+00 volume  0.64161E-02 ppm1      0.596 ppm2      6.321 CV     1
 ASSI { 2581}
   (  segid "    " and resid 62   and name HD2%)
   (( segid "    " and resid 63   and name HN  ))
      5.000     3.100     1.000 peak  2581 spectrum    1 weight  0.53123E+00 volume  0.39077E-03 ppm1      0.290 ppm2      7.931 CV     1
 ASSI { 2602}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HD2 ))
      5.800     4.200     0.200 peak  2602 spectrum    1 weight  0.53065E+00 volume  0.66344E-04 ppm1      1.248 ppm2      6.622 CV     1
 ASSI { 2629}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 44   and name HA2 ))
      4.800     2.900     1.200 peak  2629 spectrum    1 weight  0.59995E+00 volume  0.16641E-02 ppm1      1.180 ppm2      3.877 CV     1
 ASSI { 2638}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.200     1.200 peak  2638 spectrum    1 weight  0.48213E+00 volume  0.48057E-02 ppm1      0.574 ppm2      5.724 CV     1
 ASSI { 2640}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      4.800     2.900     1.200 peak  2640 spectrum    1 weight  0.32660E+00 volume  0.82631E-03 ppm1      0.577 ppm2      3.957 CV     1
 OR { 2640}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 2649}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 81   and name HG1 ))
      4.800     2.900     1.200 peak  2649 spectrum    1 weight  0.42723E+00 volume  0.51853E-03 ppm1      1.374 ppm2      2.291 CV     1
 OR { 2649}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI { 2658}
   (  segid "    " and resid 55   and name HG2%)
   (  segid "    " and resid 59   and name HD1%)
      2.800     1.000     1.000 peak  2658 spectrum    1 weight  0.81604E+00 volume  0.16924E-01 ppm1      1.181 ppm2      0.503 CV     1
 ASSI { 2688}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.200     1.200 peak  2688 spectrum    1 weight  0.58840E+00 volume  0.52891E-02 ppm1      0.945 ppm2      8.918 CV     1
 ASSI { 2695}
   (  segid "    " and resid 138  and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.200     0.600     0.600 peak  2695 spectrum    1 weight  0.86391E+00 volume  0.23080E-01 ppm1      0.674 ppm2      1.836 CV     1
 ASSI { 2696}
   (  segid "    " and resid 138  and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      3.100     1.200     1.200 peak  2696 spectrum    1 weight  0.66104E+00 volume  0.60814E-02 ppm1      0.677 ppm2      0.108 CV     1
 OR { 2696}
   (  segid "    " and resid 138  and name HD2%)
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2697}
   (  segid "    " and resid 138  and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak  2697 spectrum    1 weight  0.63139E+00 volume  0.42496E-02 ppm1      0.663 ppm2      2.393 CV     1
 OR { 2697}
   (  segid "    " and resid 97   and name HD2%)
   (( segid "    " and resid 104  and name HG1 ))
 ASSI { 2790}
   (  segid "    " and resid 78   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak  2790 spectrum    1 weight  0.47329E+00 volume  0.14742E-02 ppm1      0.782 ppm2      6.344 CV     1
 ASSI { 2813}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 100  and name HB2 ))
      2.500     0.800     0.800 peak  2813 spectrum    1 weight  0.78540E+00 volume  0.14217E-01 ppm1      0.925 ppm2      3.096 CV     1
 ASSI { 2822}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  2822 spectrum    1 weight  0.63094E+00 volume  0.42193E-02 ppm1      1.122 ppm2      9.289 CV     1
 ASSI { 2824}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak  2824 spectrum    1 weight  0.52612E+00 volume  0.38331E-02 ppm1      1.123 ppm2      6.337 CV     1
 ASSI { 2850}
   (  segid "    " and resid 122  and name HG1%)
   (( segid "    " and resid 123  and name HD1 ))
      3.500     1.500     1.500 peak  2850 spectrum    1 weight  0.60082E+00 volume  0.60219E-02 ppm1      0.806 ppm2      3.207 CV     1
 OR { 2850}
   (  segid "    " and resid 122  and name HG1%)
   (( segid "    " and resid 123  and name HD2 ))
 ASSI { 2934}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      5.300     3.500     0.700 peak  2934 spectrum    1 weight  0.52775E+00 volume  0.12047E-02 ppm1      0.536 ppm2      7.890 CV     1
 OR { 2934}
   (  segid "    " and resid 62   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2956}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  2956 spectrum    1 weight  0.61876E+00 volume  0.70077E-02 ppm1      1.043 ppm2      8.893 CV     1
 ASSI { 2971}
   (  segid "    " and resid 117  and name HD1%)
   (( segid "    " and resid 140  and name HN  ))
      3.700     1.700     1.700 peak  2971 spectrum    1 weight  0.59240E+00 volume  0.55306E-02 ppm1      0.854 ppm2      6.410 CV     1
 ASSI { 3012}
   (  segid "    " and resid 145  and name HD1%)
   (  segid "    " and resid 149  and name HD2%)
      2.900     1.000     1.000 peak  3012 spectrum    1 weight  0.76880E+00 volume  0.13968E-01 ppm1     -0.100 ppm2      0.197 CV     1
 OR { 3012}
   (  segid "    " and resid 145  and name HD1%)
   (  segid "    " and resid 149  and name HD1%)
 ASSI { 3077}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      5.100     3.300     0.900 peak  3077 spectrum    1 weight  0.59377E+00 volume  0.89558E-03 ppm1      1.270 ppm2      3.662 CV     1
 ASSI { 3114}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 92   and name HD22))
      3.800     1.800     1.800 peak  3114 spectrum    1 weight  0.58566E+00 volume  0.51211E-02 ppm1      1.181 ppm2      8.506 CV     1
 ASSI { 3123}
   (  segid "    " and resid 147  and name HG1%)
   (( segid "    " and resid 144  and name HA  ))
      3.700     1.700     1.700 peak  3123 spectrum    1 weight  0.58195E+00 volume  0.20222E-02 ppm1      0.982 ppm2      4.642 CV     1
 ASSI { 3149}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak  3149 spectrum    1 weight  0.63299E+00 volume  0.43575E-02 ppm1      1.124 ppm2      8.554 CV     1
 ASSI { 3167}
   (  segid "    " and resid 37   and name HG2%)
   (  segid "    " and resid 4    and name HG2%)
      6.000     5.800     0.000 peak  3167 spectrum    1 weight  0.47401E+00 volume  0.13374E-03 ppm1      1.118 ppm2      0.236 CV     1
 ASSI { 3187}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 46   and name HB2 ))
      3.800     1.800     1.800 peak  3187 spectrum    1 weight  0.56956E+00 volume  0.17088E-02 ppm1      0.915 ppm2      3.411 CV     1
 OR { 3187}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 3197}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak  3197 spectrum    1 weight  0.57857E+00 volume  0.46716E-02 ppm1      1.427 ppm2      8.101 CV     1
 ASSI { 3206}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
      3.500     1.500     1.500 peak  3206 spectrum    1 weight  0.57421E+00 volume  0.71115E-03 ppm1      0.912 ppm2      2.306 CV     1
 ASSI { 3216}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak  3216 spectrum    1 weight  0.52308E+00 volume  0.21744E-02 ppm1      1.418 ppm2      4.841 CV     1
 ASSI { 3267}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak  3267 spectrum    1 weight  0.59495E+00 volume  0.10619E-02 ppm1      0.812 ppm2      7.923 CV     1
 ASSI { 3273}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak  3273 spectrum    1 weight  0.63747E+00 volume  0.46538E-02 ppm1      0.853 ppm2      8.834 CV     1
 ASSI { 3278}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 20   and name HB2 ))
      4.800     2.900     1.200 peak  3278 spectrum    1 weight  0.53170E+00 volume  0.38307E-03 ppm1      0.855 ppm2      2.576 CV     1
 ASSI { 3283}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.600     1.500 peak  3283 spectrum    1 weight  0.59552E+00 volume  0.11392E-02 ppm1      0.809 ppm2      5.279 CV     1
 OR { 3283}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 41   and name HA1 ))
 ASSI { 3284}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 92   and name HA  ))
      6.000     6.000     0.000 peak  3284 spectrum    1 weight  0.47386E+00 volume  0.65888E-04 ppm1      0.804 ppm2      4.643 CV     1
 OR { 3284}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 3294}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  3294 spectrum    1 weight  0.73584E+00 volume  0.98113E-02 ppm1      1.441 ppm2      7.936 CV     1
 ASSI { 3305}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak  3305 spectrum    1 weight  0.61336E+00 volume  0.29117E-02 ppm1      0.234 ppm2      8.386 CV     1
 ASSI { 3307}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 84   and name HB1 ))
      3.700     1.700     1.700 peak  3307 spectrum    1 weight  0.58219E+00 volume  0.14380E-02 ppm1      0.235 ppm2      2.471 CV     1
 OR { 3307}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 3310}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 86   and name HG12))
      2.900     1.000     1.000 peak  3310 spectrum    1 weight  0.63409E+00 volume  0.77979E-02 ppm1      0.236 ppm2      0.942 CV     1
 ASSI { 3315}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 59   and name HB2 ))
      4.300     2.300     1.700 peak  3315 spectrum    1 weight  0.54225E+00 volume  0.33406E-02 ppm1      1.423 ppm2      1.102 CV     1
 OR { 3315}
   (  segid "    " and resid 60   and name HB% )
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 3417}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      6.000     4.700     0.000 peak  3417 spectrum    1 weight  0.39778E+00 volume  0.13257E-03 ppm1      0.679 ppm2      5.052 CV     1
 ASSI { 3432}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  3432 spectrum    1 weight  0.59792E+00 volume  0.14360E-02 ppm1      0.672 ppm2      9.112 CV     1
 OR { 3432}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 3465}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak  3465 spectrum    1 weight  0.52685E+00 volume  0.31329E-02 ppm1      0.504 ppm2      3.317 CV     1
 ASSI { 3474}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      4.400     2.400     1.600 peak  3474 spectrum    1 weight  0.53197E+00 volume  0.16024E-02 ppm1      0.499 ppm2      0.143 CV     1
 ASSI { 3477}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  3477 spectrum    1 weight  0.56751E+00 volume  0.53358E-03 ppm1      0.112 ppm2      3.705 CV     1
 ASSI { 3495}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 21   and name HD1%)
      3.700     1.700     1.700 peak  3495 spectrum    1 weight  0.42439E+00 volume  0.44303E-02 ppm1      0.105 ppm2      0.434 CV     1
 ASSI { 3645}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 124  and name HA  ))
      4.200     2.200     1.800 peak  3645 spectrum    1 weight  0.59335E+00 volume  0.83207E-03 ppm1      4.917 ppm2      4.714 CV     1
 ASSI { 3648}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak  3648 spectrum    1 weight  0.63121E+00 volume  0.42373E-02 ppm1      5.160 ppm2      7.542 CV     1
 ASSI { 3665}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 55   and name HG2%)
      3.800     1.800     1.800 peak  3665 spectrum    1 weight  0.59768E+00 volume  0.14074E-02 ppm1      5.234 ppm2      1.178 CV     1
 ASSI { 3667}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.100     0.500     0.500 peak  3667 spectrum    1 weight  0.80614E+00 volume  0.14978E-01 ppm1      5.325 ppm2      9.133 CV     1
 ASSI { 3669}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      5.100     3.300     0.900 peak  3669 spectrum    1 weight  0.59045E+00 volume  0.28100E-03 ppm1      5.229 ppm2      4.698 CV     1
 ASSI { 3673}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      4.700     2.700     1.300 peak  3673 spectrum    1 weight  0.59042E+00 volume  0.27269E-03 ppm1      4.823 ppm2      9.486 CV     1
 ASSI { 3674}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 100  and name HE% )
      2.800     1.000     1.000 peak  3674 spectrum    1 weight  0.65667E+00 volume  0.88944E-02 ppm1      4.820 ppm2      7.071 CV     1
 ASSI { 3688}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.300     1.300 peak  3688 spectrum    1 weight  0.61377E+00 volume  0.29453E-02 ppm1      4.807 ppm2      8.923 CV     1
 ASSI { 3715}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 144  and name HD21))
      5.600     3.900     0.400 peak  3715 spectrum    1 weight  0.53116E+00 volume  0.24732E-03 ppm1      4.949 ppm2      6.702 CV     1
 ASSI { 3724}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HD1 ))
      2.400     0.700     0.700 peak  3724 spectrum    1 weight  0.61900E+00 volume  0.70207E-02 ppm1      4.948 ppm2      3.447 CV     1
 ASSI { 3733}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 110  and name HG2%)
      2.600     0.900     0.900 peak  3733 spectrum    1 weight  0.76031E+00 volume  0.13268E-01 ppm1      5.019 ppm2      1.190 CV     1
 ASSI { 3741}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      5.600     4.000     0.400 peak  3741 spectrum    1 weight  0.53228E+00 volume  0.50617E-03 ppm1      4.823 ppm2      7.469 CV     1
 ASSI { 3743}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      3.300     1.400     1.400 peak  3743 spectrum    1 weight  0.62269E+00 volume  0.36352E-02 ppm1      4.837 ppm2      7.848 CV     1
 ASSI { 3751}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.400     0.700     0.700 peak  3751 spectrum    1 weight  0.78952E+00 volume  0.12087E-01 ppm1      4.865 ppm2      8.700 CV     1
 ASSI { 3763}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      4.000     2.000     2.000 peak  3763 spectrum    1 weight  0.60284E+00 volume  0.19655E-02 ppm1      5.121 ppm2      8.030 CV     1
 ASSI { 3764}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 121  and name HA  ))
      3.500     1.500     1.500 peak  3764 spectrum    1 weight  0.59502E+00 volume  0.10717E-02 ppm1      5.120 ppm2      4.417 CV     1
 ASSI { 3773}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      2.400     0.700     0.700 peak  3773 spectrum    1 weight  0.70727E+00 volume  0.84867E-02 ppm1      5.107 ppm2      8.766 CV     1
 ASSI { 3778}
   (( segid "    " and resid 130  and name HA  ))
   (  segid "    " and resid 131  and name HD% )
      6.000     6.000     0.000 peak  3778 spectrum    1 weight  0.48514E+00 volume  0.66131E-04 ppm1      5.105 ppm2      7.035 CV     1
 ASSI { 3782}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak  3782 spectrum    1 weight  0.60733E+00 volume  0.23921E-02 ppm1      5.302 ppm2      8.934 CV     1
 ASSI { 3798}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      5.900     4.300     0.100 peak  3798 spectrum    1 weight  0.59038E+00 volume  0.26273E-03 ppm1      4.440 ppm2     10.085 CV     1
 ASSI { 3806}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      4.300     2.400     1.700 peak  3806 spectrum    1 weight  0.46724E+00 volume  0.39277E-03 ppm1      1.253 ppm2      5.017 CV     1
 ASSI { 3814}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     5.300     0.000 peak  3814 spectrum    1 weight  0.55502E+00 volume  0.18815E-03 ppm1      1.184 ppm2      9.380 CV     1
 ASSI { 3821}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      2.900     1.100     1.100 peak  3821 spectrum    1 weight  0.53748E+00 volume  0.27111E-02 ppm1      1.359 ppm2      5.147 CV     1
 ASSI { 3826}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      5.000     3.100     1.000 peak  3826 spectrum    1 weight  0.55169E+00 volume  0.27024E-02 ppm1      5.277 ppm2      2.165 CV     1
 ASSI { 3829}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 92   and name HD21))
      3.800     1.800     1.800 peak  3829 spectrum    1 weight  0.54208E+00 volume  0.18028E-02 ppm1      5.280 ppm2      5.877 CV     1
 ASSI { 3832}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 92   and name HD22))
      4.400     2.400     1.600 peak  3832 spectrum    1 weight  0.53274E+00 volume  0.59226E-03 ppm1      5.283 ppm2      8.505 CV     1
 ASSI { 3840}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      4.700     2.800     1.300 peak  3840 spectrum    1 weight  0.49162E+00 volume  0.13531E-02 ppm1      3.189 ppm2      7.332 CV     1
 ASSI { 3841}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 92   and name HD22))
      4.700     2.800     1.300 peak  3841 spectrum    1 weight  0.59352E+00 volume  0.85712E-03 ppm1      4.810 ppm2      8.444 CV     1
 ASSI { 3853}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.400     2.400     1.600 peak  3853 spectrum    1 weight  0.55261E+00 volume  0.27807E-02 ppm1      3.181 ppm2      8.688 CV     1
 ASSI { 3854}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  3854 spectrum    1 weight  0.60862E+00 volume  0.25075E-02 ppm1      2.225 ppm2      8.731 CV     1
 ASSI { 3855}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 41   and name HA1 ))
      5.100     3.300     0.900 peak  3855 spectrum    1 weight  0.49771E+00 volume  0.19578E-02 ppm1      3.168 ppm2      5.294 CV     1
 ASSI { 3858}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 10   and name HA1 ))
      3.600     1.700     1.700 peak  3858 spectrum    1 weight  0.48844E+00 volume  0.17188E-02 ppm1      0.527 ppm2      3.689 CV     1
 OR { 3858}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI { 3878}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HG11))
      3.400     1.400     1.400 peak  3878 spectrum    1 weight  0.54833E+00 volume  0.24074E-02 ppm1      5.236 ppm2      1.791 CV     1
 ASSI { 3881}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      5.500     3.800     0.500 peak  3881 spectrum    1 weight  0.48756E+00 volume  0.65266E-03 ppm1      5.234 ppm2      3.673 CV     1
 ASSI { 3883}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 10   and name HA1 ))
      4.000     2.000     2.000 peak  3883 spectrum    1 weight  0.59006E+00 volume  0.16385E-03 ppm1      4.171 ppm2      3.708 CV     1
 ASSI { 3884}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 10   and name HA1 ))
      4.000     2.000     2.000 peak  3884 spectrum    1 weight  0.59006E+00 volume  0.16585E-03 ppm1      2.685 ppm2      3.701 CV     1
 ASSI { 3885}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.300     2.300     1.700 peak  3885 spectrum    1 weight  0.53981E+00 volume  0.15571E-02 ppm1      4.174 ppm2      4.681 CV     1
 ASSI { 3886}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.500     1.500 peak  3886 spectrum    1 weight  0.59037E+00 volume  0.25923E-03 ppm1      4.167 ppm2     10.330 CV     1
 ASSI { 3887}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.800     2.900     1.200 peak  3887 spectrum    1 weight  0.59012E+00 volume  0.18292E-03 ppm1      2.679 ppm2     10.337 CV     1
 ASSI { 3897}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.000     1.100 peak  3897 spectrum    1 weight  0.51773E+00 volume  0.11518E-02 ppm1      0.967 ppm2      4.742 CV     1
 OR { 3897}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 3898}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.900     3.100     1.100 peak  3898 spectrum    1 weight  0.50595E+00 volume  0.36447E-03 ppm1      0.962 ppm2      6.571 CV     1
 OR { 3898}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3939}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.900     1.900     1.900 peak  3939 spectrum    1 weight  0.47686E+00 volume  0.23948E-02 ppm1      3.308 ppm2      0.487 CV     1
 OR { 3939}
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 59   and name HD1%)
 ASSI { 3954}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 6    and name HE% )
      3.300     1.300     1.300 peak  3954 spectrum    1 weight  0.56006E+00 volume  0.33757E-02 ppm1      2.198 ppm2      6.918 CV     1
 ASSI { 3979}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 73   and name HA  ))
      4.400     2.500     1.600 peak  3979 spectrum    1 weight  0.59209E+00 volume  0.62537E-03 ppm1      5.307 ppm2      4.704 CV     1
 ASSI { 3986}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.800     1.300 peak  3986 spectrum    1 weight  0.59186E+00 volume  0.58259E-03 ppm1      4.344 ppm2      9.304 CV     1
 ASSI { 3990}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 73   and name HG1 ))
      4.700     2.800     1.300 peak  3990 spectrum    1 weight  0.54324E+00 volume  0.19224E-02 ppm1      3.902 ppm2      1.221 CV     1
 ASSI { 3991}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  3991 spectrum    1 weight  0.53836E+00 volume  0.13895E-02 ppm1      3.896 ppm2      8.007 CV     1
 ASSI { 3992}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  3992 spectrum    1 weight  0.55265E+00 volume  0.27840E-02 ppm1      3.898 ppm2      8.194 CV     1
 ASSI { 3993}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     2.600     1.400 peak  3993 spectrum    1 weight  0.59846E+00 volume  0.14982E-02 ppm1      3.895 ppm2      4.487 CV     1
 ASSI { 4002}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 69   and name HE% )
      5.100     3.200     0.900 peak  4002 spectrum    1 weight  0.59081E+00 volume  0.36804E-03 ppm1      1.873 ppm2      7.278 CV     1
 ASSI { 4004}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      5.500     3.800     0.500 peak  4004 spectrum    1 weight  0.59242E+00 volume  0.68229E-03 ppm1      1.751 ppm2      8.647 CV     1
 ASSI { 4005}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      5.400     3.600     0.600 peak  4005 spectrum    1 weight  0.53486E+00 volume  0.93396E-03 ppm1      1.887 ppm2      8.632 CV     1
 ASSI { 4011}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 124  and name HA  ))
      5.800     4.200     0.200 peak  4011 spectrum    1 weight  0.53156E+00 volume  0.35101E-03 ppm1      2.958 ppm2      4.706 CV     1
 OR { 4011}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 4012}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      5.200     3.400     0.800 peak  4012 spectrum    1 weight  0.42626E+00 volume  0.32480E-03 ppm1      2.801 ppm2      4.735 CV     1
 OR { 4012}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 4015}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.200     0.000 peak  4015 spectrum    1 weight  0.37352E+00 volume  0.22299E-03 ppm1      2.803 ppm2      6.628 CV     1
 ASSI { 4017}
   (( segid "    " and resid 54   and name HA2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.000     2.000     2.000 peak  4017 spectrum    1 weight  0.53203E+00 volume  0.17509E-02 ppm1      1.543 ppm2      6.677 CV     1
 OR { 4017}
   (( segid "    " and resid 54   and name HA2 ))
   (( segid "    " and resid 57   and name HD22))
 ASSI { 4018}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak  4018 spectrum    1 weight  0.47788E+00 volume  0.17440E-02 ppm1      2.955 ppm2      6.637 CV     1
 ASSI { 4032}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.500     1.500 peak  4032 spectrum    1 weight  0.52783E+00 volume  0.24783E-02 ppm1      1.180 ppm2      5.243 CV     1
 ASSI { 4049}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      4.500     2.500     1.500 peak  4049 spectrum    1 weight  0.58098E+00 volume  0.31333E-03 ppm1      1.108 ppm2      3.259 CV     1
 OR { 4049}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 4079}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.600     1.600 peak  4079 spectrum    1 weight  0.59821E+00 volume  0.14693E-02 ppm1      3.196 ppm2      8.503 CV     1
 ASSI { 4080}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      5.900     4.300     0.100 peak  4080 spectrum    1 weight  0.57111E+00 volume  0.21686E-03 ppm1      2.425 ppm2      8.520 CV     1
 ASSI { 4086}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 74   and name HD2%)
      5.800     4.200     0.200 peak  4086 spectrum    1 weight  0.53717E+00 volume  0.14857E-03 ppm1      2.430 ppm2      0.310 CV     1
 ASSI { 4111}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  4111 spectrum    1 weight  0.57198E+00 volume  0.42335E-02 ppm1      1.729 ppm2      5.413 CV     1
 ASSI { 4112}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      3.100     1.200     1.200 peak  4112 spectrum    1 weight  0.59872E+00 volume  0.15279E-02 ppm1      1.185 ppm2      5.396 CV     1
 ASSI { 4119}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak  4119 spectrum    1 weight  0.55897E+00 volume  0.32924E-02 ppm1      5.015 ppm2      8.683 CV     1
 ASSI { 4120}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.600     0.000 peak  4120 spectrum    1 weight  0.59020E+00 volume  0.21027E-03 ppm1      5.018 ppm2      9.114 CV     1
 ASSI { 4136}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      3.800     1.800     1.800 peak  4136 spectrum    1 weight  0.55605E+00 volume  0.30630E-02 ppm1      1.617 ppm2      7.149 CV     1
 ASSI { 4140}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 85   and name HG  ))
      4.700     2.800     1.300 peak  4140 spectrum    1 weight  0.53985E+00 volume  0.15620E-02 ppm1      5.413 ppm2      1.445 CV     1
 ASSI { 4142}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.700     0.900     0.900 peak  4142 spectrum    1 weight  0.56118E+00 volume  0.34613E-02 ppm1      5.417 ppm2      1.183 CV     1
 ASSI { 4144}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      5.300     3.500     0.700 peak  4144 spectrum    1 weight  0.59115E+00 volume  0.44305E-03 ppm1      4.871 ppm2      5.454 CV     1
 ASSI { 4158}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 115  and name HA  ))
      4.500     2.600     1.500 peak  4158 spectrum    1 weight  0.53988E+00 volume  0.15655E-02 ppm1      3.209 ppm2      4.663 CV     1
 ASSI { 4159}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      4.500     2.500     1.500 peak  4159 spectrum    1 weight  0.59396E+00 volume  0.92388E-03 ppm1      3.225 ppm2      8.699 CV     1
 ASSI { 4172}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 118  and name HB1 ))
      5.200     3.300     0.800 peak  4172 spectrum    1 weight  0.56287E+00 volume  0.10924E-02 ppm1      1.796 ppm2      2.646 CV     1
 OR { 4172}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 119  and name HB2 ))
 ASSI { 4176}
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 137  and name HD1%)
      4.600     2.600     1.400 peak  4176 spectrum    1 weight  0.56615E+00 volume  0.57482E-03 ppm1      3.199 ppm2     -0.109 CV     1
 ASSI { 4179}
   (( segid "    " and resid 115  and name HD1 ))
   (( segid "    " and resid 114  and name HN  ))
      6.000     5.700     0.000 peak  4179 spectrum    1 weight  0.59000E+00 volume  0.14452E-03 ppm1      3.456 ppm2      7.611 CV     1
 ASSI { 4180}
   (( segid "    " and resid 115  and name HD2 ))
   (( segid "    " and resid 144  and name HD21))
      6.000     4.600     0.000 peak  4180 spectrum    1 weight  0.59050E+00 volume  0.29382E-03 ppm1      3.231 ppm2      6.667 CV     1
 ASSI { 4189}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      2.400     0.700     0.700 peak  4189 spectrum    1 weight  0.60790E+00 volume  0.24438E-02 ppm1      4.910 ppm2      8.340 CV     1
 ASSI { 4221}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 124  and name HA  ))
      5.500     3.800     0.500 peak  4221 spectrum    1 weight  0.55715E+00 volume  0.40754E-03 ppm1      5.107 ppm2      4.741 CV     1
 ASSI { 4222}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      4.800     2.800     1.200 peak  4222 spectrum    1 weight  0.55134E+00 volume  0.26724E-02 ppm1      5.106 ppm2      8.294 CV     1
 ASSI { 4223}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      4.500     2.600     1.500 peak  4223 spectrum    1 weight  0.53177E+00 volume  0.39916E-03 ppm1      4.330 ppm2      8.290 CV     1
 ASSI { 4229}
   (( segid "    " and resid 133  and name HG2 ))
   (  segid "    " and resid 137  and name HD1%)
      4.800     2.800     1.200 peak  4229 spectrum    1 weight  0.55060E+00 volume  0.52764E-03 ppm1      2.076 ppm2     -0.125 CV     1
 ASSI { 4243}
   (  segid "    " and resid 137  and name HD1%)
   (  segid "    " and resid 119  and name HD% )
      4.700     2.800     1.300 peak  4243 spectrum    1 weight  0.59070E+00 volume  0.34267E-03 ppm1     -0.110 ppm2      7.118 CV     1
 ASSI { 4299}
   (( segid "    " and resid 146  and name HB2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.600     0.000 peak  4299 spectrum    1 weight  0.58997E+00 volume  0.13314E-03 ppm1      1.265 ppm2      7.448 CV     1
 ASSI { 4300}
   (( segid "    " and resid 146  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      3.500     1.500     1.500 peak  4300 spectrum    1 weight  0.59422E+00 volume  0.96058E-03 ppm1      2.027 ppm2      7.474 CV     1
 ASSI { 4322}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.700     1.400 peak  4322 spectrum    1 weight  0.53111E+00 volume  0.23263E-03 ppm1      4.210 ppm2      5.246 CV     1
 ASSI { 4324}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak  4324 spectrum    1 weight  0.59087E+00 volume  0.38266E-03 ppm1      3.565 ppm2      7.895 CV     1
 ASSI { 4325}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 8    and name HN  ))
      5.100     3.300     0.900 peak  4325 spectrum    1 weight  0.59469E+00 volume  0.10269E-02 ppm1      5.304 ppm2      7.894 CV     1
 ASSI { 4335}
   (( segid "    " and resid 113  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      4.900     3.000     1.100 peak  4335 spectrum    1 weight  0.53245E+00 volume  0.53889E-03 ppm1      3.591 ppm2      9.145 CV     1
 ASSI { 4336}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      4.300     2.400     1.700 peak  4336 spectrum    1 weight  0.54092E+00 volume  0.16792E-02 ppm1      3.070 ppm2      9.164 CV     1
 ASSI { 4340}
   (( segid "    " and resid 148  and name HB1 ))
   (  segid "    " and resid 145  and name HD1%)
      3.600     1.600     1.600 peak  4340 spectrum    1 weight  0.50503E+00 volume  0.31453E-03 ppm1      3.471 ppm2     -0.113 CV     1
 ASSI { 4344}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      5.400     3.700     0.600 peak  4344 spectrum    1 weight  0.53225E+00 volume  0.49960E-03 ppm1      2.110 ppm2      8.059 CV     1
 OR { 4344}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 4345}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     6.000     0.000 peak  4345 spectrum    1 weight  0.58996E+00 volume  0.12886E-03 ppm1      2.113 ppm2      7.490 CV     1
 ASSI { 4346}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak  4346 spectrum    1 weight  0.53515E+00 volume  0.97467E-03 ppm1      1.639 ppm2      7.449 CV     1
 ASSI { 4347}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      4.800     2.900     1.200 peak  4347 spectrum    1 weight  0.59114E+00 volume  0.44218E-03 ppm1      3.979 ppm2      7.829 CV     1
 ASSI { 4348}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     5.500     0.000 peak  4348 spectrum    1 weight  0.59030E+00 volume  0.24044E-03 ppm1      2.120 ppm2      7.224 CV     1
 OR { 4348}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 4349}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 44   and name HA2 ))
      5.600     3.900     0.400 peak  4349 spectrum    1 weight  0.60138E+00 volume  0.18161E-02 ppm1      1.758 ppm2      3.905 CV     1
 ASSI { 4350}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     6.000     0.000 peak  4350 spectrum    1 weight  0.53160E+00 volume  0.35956E-03 ppm1      1.657 ppm2      6.962 CV     1
 ASSI { 4351}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.100     0.000 peak  4351 spectrum    1 weight  0.59045E+00 volume  0.27924E-03 ppm1      1.538 ppm2      6.954 CV     1
 ASSI { 4353}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
      5.900     4.400     0.100 peak  4353 spectrum    1 weight  0.59107E+00 volume  0.42795E-03 ppm1      4.273 ppm2      6.950 CV     1
 ASSI { 4354}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      4.900     3.000     1.100 peak  4354 spectrum    1 weight  0.49592E+00 volume  0.17352E-02 ppm1      2.551 ppm2      8.085 CV     1
 ASSI { 4355}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.800     4.300     0.200 peak  4355 spectrum    1 weight  0.53147E+00 volume  0.32976E-03 ppm1      2.514 ppm2      8.084 CV     1
 ASSI { 4357}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.400     1.400 peak  4357 spectrum    1 weight  0.54261E+00 volume  0.52725E-02 ppm1      1.639 ppm2      8.153 CV     1
 ASSI { 4358}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.200     1.200 peak  4358 spectrum    1 weight  0.51069E+00 volume  0.30755E-02 ppm1      1.572 ppm2      8.158 CV     1
 ASSI { 4360}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 52   and name HD2 ))
      4.700     2.800     1.300 peak  4360 spectrum    1 weight  0.59093E+00 volume  0.39543E-03 ppm1      3.399 ppm2      7.106 CV     1
 ASSI { 4361}
   (( segid "    " and resid 129  and name HA1 ))
   (( segid "    " and resid 130  and name HN  ))
      5.200     3.400     0.800 peak  4361 spectrum    1 weight  0.59057E+00 volume  0.31250E-03 ppm1      4.126 ppm2      7.715 CV     1
 ASSI { 4362}
   (( segid "    " and resid 129  and name HA2 ))
   (( segid "    " and resid 130  and name HN  ))
      5.700     4.000     0.300 peak  4362 spectrum    1 weight  0.59055E+00 volume  0.30662E-03 ppm1      3.775 ppm2      7.739 CV     1
 ASSI { 4363}
   (( segid "    " and resid 129  and name HA1 ))
   (( segid "    " and resid 128  and name HA  ))
      3.600     1.600     1.600 peak  4363 spectrum    1 weight  0.52165E+00 volume  0.38985E-02 ppm1      4.121 ppm2      4.315 CV     1
 ASSI {   38}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.200     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.22842E-01 ppm1      8.781 ppm2      4.976 CV     1
 ASSI {   54}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak    54 spectrum    1 weight  0.99900E+00 volume  0.54719E-02 ppm1      9.749 ppm2      4.488 CV     1
 ASSI {   61}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      5.500     3.800     0.500 peak    61 spectrum    1 weight  0.69386E+00 volume  0.10313E-02 ppm1      8.048 ppm2      4.700 CV     1
 ASSI {   64}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.700     1.700     1.700 peak    64 spectrum    1 weight  0.76328E+00 volume  0.24013E-02 ppm1      8.048 ppm2     -0.725 CV     1
 ASSI {   75}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.22035E-01 ppm1      8.047 ppm2      4.247 CV     1
 ASSI {   78}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA2 ))
      5.500     3.800     0.500 peak    78 spectrum    1 weight  0.61161E+00 volume  0.89187E-03 ppm1      8.045 ppm2      1.521 CV     1
 ASSI {   88}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      4.300     2.300     1.700 peak    88 spectrum    1 weight  0.77537E+00 volume  0.25976E-02 ppm1      9.130 ppm2      8.688 CV     1
 OR {   88}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI {   89}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      5.000     3.200     1.000 peak    89 spectrum    1 weight  0.69767E+00 volume  0.11256E-02 ppm1      9.134 ppm2      7.137 CV     1
 ASSI {   90}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.000     0.500     0.500 peak    90 spectrum    1 weight  0.92308E+00 volume  0.29806E-01 ppm1      9.131 ppm2      5.416 CV     1
 ASSI {   92}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG1%)
      2.600     0.900     0.900 peak    92 spectrum    1 weight  0.86391E+00 volume  0.20352E-01 ppm1      9.130 ppm2      0.890 CV     1
 OR {   92}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
 ASSI {   95}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      4.900     3.000     1.100 peak    95 spectrum    1 weight  0.68713E+00 volume  0.85325E-03 ppm1      9.127 ppm2      0.434 CV     1
 ASSI {  146}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      2.600     0.900     0.900 peak   146 spectrum    1 weight  0.92308E+00 volume  0.84340E-02 ppm1      9.120 ppm2      8.028 CV     1
 ASSI {  147}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.92308E+00 volume  0.75117E-02 ppm1      9.120 ppm2      7.886 CV     1
 ASSI {  150}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.98474E+00 volume  0.53142E-02 ppm1      9.120 ppm2      3.888 CV     1
 ASSI {  171}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     6.000     0.000 peak   171 spectrum    1 weight  0.66755E+00 volume  0.10517E-03 ppm1      9.389 ppm2     10.086 CV     1
 ASSI {  177}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.64643E-02 ppm1      8.644 ppm2      5.715 CV     1
 ASSI {  185}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     6.000     0.000 peak   185 spectrum    1 weight  0.59004E+00 volume  0.50645E-04 ppm1      8.643 ppm2      0.246 CV     1
 ASSI {  190}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.600     2.700     1.400 peak   190 spectrum    1 weight  0.70352E+00 volume  0.12631E-02 ppm1      9.387 ppm2      8.851 CV     1
 ASSI {  191}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     5.200     0.000 peak   191 spectrum    1 weight  0.59118E+00 volume  0.14507E-03 ppm1      9.387 ppm2      8.545 CV     1
 ASSI {  192}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.21260E-01 ppm1      9.387 ppm2      5.438 CV     1
 ASSI {  193}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   193 spectrum    1 weight  0.87386E+00 volume  0.39934E-02 ppm1      9.387 ppm2      4.707 CV     1
 ASSI {  224}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak   224 spectrum    1 weight  0.68349E+00 volume  0.74889E-03 ppm1      9.286 ppm2      8.725 CV     1
 ASSI {  227}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.200     2.200     1.800 peak   227 spectrum    1 weight  0.71591E+00 volume  0.15321E-02 ppm1      9.286 ppm2      4.347 CV     1
 ASSI {  229}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      5.400     3.700     0.600 peak   229 spectrum    1 weight  0.68143E+00 volume  0.68630E-03 ppm1      9.288 ppm2      2.012 CV     1
 ASSI {  237}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.000     2.000     2.000 peak   237 spectrum    1 weight  0.84239E+00 volume  0.35781E-02 ppm1      8.685 ppm2      9.118 CV     1
 ASSI {  239}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.400     1.500     1.500 peak   239 spectrum    1 weight  0.83329E+00 volume  0.34534E-02 ppm1      8.686 ppm2      5.422 CV     1
 ASSI {  255}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      4.000     2.000     2.000 peak   255 spectrum    1 weight  0.74018E+00 volume  0.34188E-02 ppm1      8.705 ppm2      9.126 CV     1
 OR {  255}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI {  257}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      5.100     3.300     0.900 peak   257 spectrum    1 weight  0.64746E+00 volume  0.39561E-03 ppm1      8.695 ppm2      0.424 CV     1
 ASSI {  267}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      5.000     3.200     1.000 peak   267 spectrum    1 weight  0.67491E+00 volume  0.46528E-03 ppm1      8.712 ppm2      4.724 CV     1
 ASSI {  268}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.100     0.500     0.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.16522E-01 ppm1      8.710 ppm2      4.560 CV     1
 ASSI {  279}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     6.000     0.000 peak   279 spectrum    1 weight  0.48509E+00 volume  0.12864E-04 ppm1      8.263 ppm2     10.084 CV     1
 ASSI {  280}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.400     1.600 peak   280 spectrum    1 weight  0.69748E+00 volume  0.11208E-02 ppm1      8.263 ppm2      8.849 CV     1
 ASSI {  284}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.76033E-02 ppm1      8.262 ppm2      5.535 CV     1
 ASSI {  300}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.000     2.000     2.000 peak   300 spectrum    1 weight  0.68303E+00 volume  0.73523E-03 ppm1     10.081 ppm2      8.953 CV     1
 ASSI {  310}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 53   and name HE% )
      6.000     6.000     0.000 peak   310 spectrum    1 weight  0.66940E+00 volume  0.22290E-03 ppm1      8.040 ppm2      6.724 CV     1
 ASSI {  312}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HD1 ))
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.85688E+00 volume  0.37721E-02 ppm1      8.039 ppm2      4.147 CV     1
 ASSI {  316}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG2 ))
      3.400     1.400     1.400 peak   316 spectrum    1 weight  0.70711E+00 volume  0.13437E-02 ppm1      8.035 ppm2      1.328 CV     1
 ASSI {  332}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.500     2.600     1.500 peak   332 spectrum    1 weight  0.72665E+00 volume  0.17476E-02 ppm1     10.079 ppm2      4.423 CV     1
 ASSI {  337}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.000     2.000     2.000 peak   337 spectrum    1 weight  0.82838E+00 volume  0.33853E-02 ppm1      8.766 ppm2      4.692 CV     1
 ASSI {  340}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      2.500     0.800     0.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.74656E-02 ppm1      8.763 ppm2      8.283 CV     1
 ASSI {  343}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.13237E-01 ppm1      8.765 ppm2      5.106 CV     1
 ASSI {  347}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      2.900     1.000     1.000 peak   347 spectrum    1 weight  0.98368E+00 volume  0.53025E-02 ppm1      8.038 ppm2      7.078 CV     1
 ASSI {  353}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.600     2.600     1.400 peak   353 spectrum    1 weight  0.70014E+00 volume  0.11846E-02 ppm1      8.532 ppm2      9.388 CV     1
 ASSI {  366}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      5.900     4.400     0.100 peak   366 spectrum    1 weight  0.67174E+00 volume  0.33679E-03 ppm1      8.531 ppm2      0.231 CV     1
 ASSI {  385}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     6.000     0.000 peak   385 spectrum    1 weight  0.51392E+00 volume  0.50994E-04 ppm1      7.659 ppm2      2.535 CV     1
 ASSI {  392}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
      4.400     2.500     1.600 peak   392 spectrum    1 weight  0.69456E+00 volume  0.10490E-02 ppm1      6.411 ppm2      3.571 CV     1
 ASSI {  405}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.800     2.800     1.200 peak   405 spectrum    1 weight  0.68387E+00 volume  0.76014E-03 ppm1      9.074 ppm2      8.386 CV     1
 ASSI {  408}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.200     0.600     0.600 peak   408 spectrum    1 weight  0.98088E+00 volume  0.19654E-01 ppm1      9.071 ppm2      5.023 CV     1
 ASSI {  416}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 137  and name HG11))
      5.500     3.800     0.500 peak   416 spectrum    1 weight  0.58950E+00 volume  0.80836E-03 ppm1      9.071 ppm2      0.255 CV     1
 OR {  416}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI {  418}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.600     0.800     0.800 peak   418 spectrum    1 weight  0.86391E+00 volume  0.21061E-01 ppm1      9.062 ppm2      4.390 CV     1
 ASSI {  421}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      5.600     4.000     0.400 peak   421 spectrum    1 weight  0.59258E+00 volume  0.22876E-03 ppm1      8.387 ppm2      8.140 CV     1
 ASSI {  422}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      2.900     1.100     1.100 peak   422 spectrum    1 weight  0.90980E+00 volume  0.44428E-02 ppm1      8.387 ppm2      7.352 CV     1
 ASSI {  427}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.85568E+00 volume  0.37562E-02 ppm1      8.384 ppm2      7.773 CV     1
 ASSI {  440}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.000     0.500     0.500 peak   440 spectrum    1 weight  0.92308E+00 volume  0.35468E-01 ppm1      7.734 ppm2      4.789 CV     1
 ASSI {  441}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     5.200     0.000 peak   441 spectrum    1 weight  0.59135E+00 volume  0.15644E-03 ppm1      7.732 ppm2      8.907 CV     1
 ASSI {  442}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.900     3.000     1.100 peak   442 spectrum    1 weight  0.70139E+00 volume  0.12139E-02 ppm1      7.732 ppm2      8.104 CV     1
 ASSI {  444}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 50   and name HA1 ))
      3.800     1.800     1.800 peak   444 spectrum    1 weight  0.71692E+00 volume  0.28842E-02 ppm1      7.732 ppm2      4.648 CV     1
 ASSI {  450}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      2.600     0.900     0.900 peak   450 spectrum    1 weight  0.10000E+01 volume  0.65103E-02 ppm1      7.657 ppm2      8.280 CV     1
 ASSI {  452}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.800     1.000     1.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.62245E-02 ppm1      7.658 ppm2      7.047 CV     1
 ASSI {  457}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.200     2.200     1.800 peak   457 spectrum    1 weight  0.71531E+00 volume  0.15198E-02 ppm1      7.655 ppm2      4.696 CV     1
 ASSI {  475}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      3.100     1.200     1.200 peak   475 spectrum    1 weight  0.94111E+00 volume  0.48165E-02 ppm1      9.061 ppm2      2.382 CV     1
 ASSI {  476}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HG2 ))
      4.100     2.100     1.900 peak   476 spectrum    1 weight  0.78012E+00 volume  0.37743E-02 ppm1      9.062 ppm2      1.978 CV     1
 OR {  476}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HG1 ))
 ASSI {  480}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.200     0.600     0.600 peak   480 spectrum    1 weight  0.92308E+00 volume  0.30866E-01 ppm1      8.852 ppm2      5.540 CV     1
 ASSI {  488}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      4.000     2.000     2.000 peak   488 spectrum    1 weight  0.71560E+00 volume  0.15258E-02 ppm1      8.847 ppm2      8.260 CV     1
 ASSI {  493}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.66672E-02 ppm1      8.601 ppm2      8.840 CV     1
 ASSI {  495}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.57805E-02 ppm1      8.600 ppm2      7.578 CV     1
 ASSI {  498}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.100     1.200     1.200 peak   498 spectrum    1 weight  0.91647E+00 volume  0.45237E-02 ppm1      8.599 ppm2      3.290 CV     1
 OR {  498}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  510}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     6.000     0.000 peak   510 spectrum    1 weight  0.54853E+00 volume  0.77347E-04 ppm1      8.852 ppm2      4.761 CV     1
 ASSI {  511}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.500     1.600 peak   511 spectrum    1 weight  0.72347E+00 volume  0.16852E-02 ppm1      8.849 ppm2      9.388 CV     1
 ASSI {  518}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 100  and name HD% )
      5.900     4.400     0.100 peak   518 spectrum    1 weight  0.59550E+00 volume  0.36631E-03 ppm1      9.468 ppm2      7.166 CV     1
 ASSI {  520}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak   520 spectrum    1 weight  0.69717E+00 volume  0.11134E-02 ppm1      9.460 ppm2      8.148 CV     1
 ASSI {  533}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HD22))
      4.400     2.500     1.600 peak   533 spectrum    1 weight  0.71674E+00 volume  0.15493E-02 ppm1      8.281 ppm2      7.034 CV     1
 ASSI {  535}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.500     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.69477E-02 ppm1      8.279 ppm2      8.761 CV     1
 ASSI {  539}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      2.500     0.800     0.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.94496E-02 ppm1      8.280 ppm2      7.661 CV     1
 ASSI {  540}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      5.300     3.500     0.700 peak   540 spectrum    1 weight  0.73520E+00 volume  0.19099E-02 ppm1      8.279 ppm2      5.099 CV     1
 ASSI {  541}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.200     2.200     1.800 peak   541 spectrum    1 weight  0.87401E+00 volume  0.39953E-02 ppm1      8.280 ppm2      4.705 CV     1
 ASSI {  545}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     6.000     0.000 peak   545 spectrum    1 weight  0.59005E+00 volume  0.51789E-04 ppm1      7.904 ppm2      9.173 CV     1
 ASSI {  546}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.700     2.800     1.300 peak   546 spectrum    1 weight  0.70544E+00 volume  0.13066E-02 ppm1      7.904 ppm2      8.955 CV     1
 ASSI {  548}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      5.400     3.700     0.600 peak   548 spectrum    1 weight  0.68191E+00 volume  0.70129E-03 ppm1      7.907 ppm2      4.072 CV     1
 ASSI {  549}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 41   and name HA2 ))
      2.900     1.100     1.100 peak   549 spectrum    1 weight  0.83327E+00 volume  0.34531E-02 ppm1      7.903 ppm2      3.600 CV     1
 ASSI {  551}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   551 spectrum    1 weight  0.75308E+00 volume  0.22291E-02 ppm1      7.901 ppm2      8.727 CV     1
 ASSI {  553}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak   553 spectrum    1 weight  0.92308E+00 volume  0.23849E-01 ppm1      7.901 ppm2      5.480 CV     1
 ASSI {  558}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   558 spectrum    1 weight  0.92308E+00 volume  0.17453E-01 ppm1      7.901 ppm2      0.802 CV     1
 ASSI {  562}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.000     3.100     1.000 peak   562 spectrum    1 weight  0.66896E+00 volume  0.19820E-03 ppm1     10.336 ppm2      2.709 CV     1
 ASSI {  563}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.600     1.600     1.600 peak   563 spectrum    1 weight  0.70472E+00 volume  0.12904E-02 ppm1     10.340 ppm2      4.172 CV     1
 ASSI {  566}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.500     2.600     1.500 peak   566 spectrum    1 weight  0.85035E+00 volume  0.36853E-02 ppm1     10.334 ppm2      4.715 CV     1
 OR {  566}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 50   and name HA1 ))
 ASSI {  569}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.61505E+00 volume  0.98307E-03 ppm1      8.284 ppm2      2.565 CV     1
 ASSI {  585}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     5.000     0.000 peak   585 spectrum    1 weight  0.58815E+00 volume  0.21500E-03 ppm1      8.674 ppm2      7.840 CV     1
 ASSI {  586}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.200     0.600     0.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.20884E-01 ppm1      8.668 ppm2      8.204 CV     1
 ASSI {  594}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.900     3.100     1.100 peak   594 spectrum    1 weight  0.66334E+00 volume  0.74139E-03 ppm1      8.024 ppm2      7.487 CV     1
 ASSI {  596}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      6.000     5.400     0.000 peak   596 spectrum    1 weight  0.65741E+00 volume  0.23138E-03 ppm1      8.020 ppm2      2.328 CV     1
 OR {  596}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
 ASSI {  598}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak   598 spectrum    1 weight  0.84317E+00 volume  0.35886E-02 ppm1      8.972 ppm2     10.086 CV     1
 ASSI {  600}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.200     0.600     0.600 peak   600 spectrum    1 weight  0.10000E+01 volume  0.11987E-01 ppm1      8.970 ppm2      7.411 CV     1
 ASSI {  609}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      5.300     3.500     0.700 peak   609 spectrum    1 weight  0.54270E+00 volume  0.11146E-02 ppm1      8.965 ppm2      5.063 CV     1
 ASSI {  611}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      5.200     3.300     0.800 peak   611 spectrum    1 weight  0.68301E+00 volume  0.87827E-03 ppm1      8.668 ppm2      9.124 CV     1
 ASSI {  620}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.91537E-02 ppm1      8.022 ppm2      8.676 CV     1
 ASSI {  622}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   622 spectrum    1 weight  0.92308E+00 volume  0.11663E-01 ppm1      8.022 ppm2      8.290 CV     1
 ASSI {  631}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 61   and name HE22))
      4.400     2.400     1.600 peak   631 spectrum    1 weight  0.65562E+00 volume  0.39506E-03 ppm1      7.795 ppm2      6.808 CV     1
 OR {  631}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
 ASSI {  643}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.82804E-02 ppm1      9.217 ppm2      8.457 CV     1
 ASSI {  644}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.600     0.600 peak   644 spectrum    1 weight  0.92308E+00 volume  0.15745E-01 ppm1      9.217 ppm2      8.249 CV     1
 ASSI {  645}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.300     2.300     1.700 peak   645 spectrum    1 weight  0.68891E+00 volume  0.13640E-02 ppm1      9.220 ppm2      7.820 CV     1
 ASSI {  656}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     6.000     0.000 peak   656 spectrum    1 weight  0.52669E+00 volume  0.51712E-04 ppm1      9.186 ppm2      5.033 CV     1
 ASSI {  662}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   662 spectrum    1 weight  0.92308E+00 volume  0.15332E-01 ppm1      9.184 ppm2      5.336 CV     1
 ASSI {  663}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   663 spectrum    1 weight  0.82956E+00 volume  0.34017E-02 ppm1      9.185 ppm2      5.164 CV     1
 ASSI {  670}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     6.000     0.000 peak   670 spectrum    1 weight  0.63405E+00 volume  0.22173E-03 ppm1      8.971 ppm2      4.809 CV     1
 ASSI {  676}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   676 spectrum    1 weight  0.88568E+00 volume  0.50647E-02 ppm1      8.024 ppm2      4.521 CV     1
 ASSI {  682}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   682 spectrum    1 weight  0.75548E+00 volume  0.22703E-02 ppm1      7.792 ppm2      3.931 CV     1
 ASSI {  685}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.60380E-02 ppm1      7.789 ppm2      8.563 CV     1
 ASSI {  686}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.70343E-02 ppm1      7.790 ppm2      6.642 CV     1
 ASSI {  704}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak   704 spectrum    1 weight  0.76651E+00 volume  0.24546E-02 ppm1      8.906 ppm2      8.224 CV     1
 ASSI {  708}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.100     0.600     0.600 peak   708 spectrum    1 weight  0.92308E+00 volume  0.31701E-01 ppm1      8.906 ppm2      4.101 CV     1
 ASSI {  720}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     6.000     0.000 peak   720 spectrum    1 weight  0.41685E+00 volume  0.25800E-04 ppm1      8.032 ppm2      9.308 CV     1
 ASSI {  729}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      3.000     1.100     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.98258E-02 ppm1      9.031 ppm2      7.660 CV     1
 ASSI {  745}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      6.000     4.600     0.000 peak   745 spectrum    1 weight  0.59959E+00 volume  0.52403E-03 ppm1      9.110 ppm2      1.039 CV     1
 ASSI {  747}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      5.300     3.500     0.700 peak   747 spectrum    1 weight  0.67393E+00 volume  0.42780E-03 ppm1      9.106 ppm2      9.868 CV     1
 ASSI {  751}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.300     0.700     0.700 peak   751 spectrum    1 weight  0.92308E+00 volume  0.14753E-01 ppm1      9.108 ppm2      8.627 CV     1
 ASSI {  752}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.73640E-02 ppm1      9.108 ppm2      8.005 CV     1
 ASSI {  754}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      5.000     3.200     1.000 peak   754 spectrum    1 weight  0.64419E+00 volume  0.16384E-02 ppm1      9.107 ppm2      4.522 CV     1
 ASSI {  760}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.700     2.800     1.300 peak   760 spectrum    1 weight  0.70837E+00 volume  0.13716E-02 ppm1      8.690 ppm2      9.129 CV     1
 OR {  760}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  763}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     6.000     0.000 peak   763 spectrum    1 weight  0.62084E+00 volume  0.20292E-03 ppm1      8.690 ppm2      5.043 CV     1
 ASSI {  764}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.300     0.600     0.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.21766E-01 ppm1      8.691 ppm2      4.868 CV     1
 ASSI {  772}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      5.700     4.100     0.300 peak   772 spectrum    1 weight  0.59406E+00 volume  0.30245E-03 ppm1      8.693 ppm2      2.576 CV     1
 ASSI {  783}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.10084E-01 ppm1      8.288 ppm2      8.034 CV     1
 ASSI {  784}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     0.900     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.92062E-02 ppm1      8.289 ppm2      7.468 CV     1
 ASSI {  790}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      4.900     3.000     1.100 peak   790 spectrum    1 weight  0.68017E+00 volume  0.64685E-03 ppm1      8.024 ppm2      7.677 CV     1
 ASSI {  791}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.600     1.700     1.700 peak   791 spectrum    1 weight  0.83240E+00 volume  0.44369E-02 ppm1      8.023 ppm2      5.114 CV     1
 ASSI {  803}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.000     1.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.67298E-02 ppm1      8.634 ppm2      7.526 CV     1
 ASSI {  833}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      5.600     3.900     0.400 peak   833 spectrum    1 weight  0.67069E+00 volume  0.28834E-03 ppm1      7.704 ppm2      7.865 CV     1
 ASSI {  843}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      5.100     3.300     0.900 peak   843 spectrum    1 weight  0.67471E+00 volume  0.45792E-03 ppm1      6.922 ppm2      2.955 CV     1
 ASSI {  848}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.300     1.400     1.400 peak   848 spectrum    1 weight  0.81972E+00 volume  0.32632E-02 ppm1      8.116 ppm2      8.568 CV     1
 ASSI {  859}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.900     1.100     1.100 peak   859 spectrum    1 weight  0.99439E+00 volume  0.54212E-02 ppm1      7.704 ppm2      8.654 CV     1
 ASSI {  861}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      2.600     0.800     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10147E-01 ppm1      7.704 ppm2      7.453 CV     1
 ASSI {  872}
   (( segid "    " and resid 148  and name HN  ))
   (  segid "    " and resid 149  and name HD2%)
      5.700     4.100     0.300 peak   872 spectrum    1 weight  0.62301E+00 volume  0.80199E-03 ppm1      7.703 ppm2      0.205 CV     1
 OR {  872}
   (( segid "    " and resid 148  and name HN  ))
   (  segid "    " and resid 149  and name HD1%)
 ASSI {  881}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.700     2.800     1.300 peak   881 spectrum    1 weight  0.62418E+00 volume  0.12071E-02 ppm1      6.923 ppm2      8.519 CV     1
 ASSI {  886}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      5.700     4.100     0.300 peak   886 spectrum    1 weight  0.68157E+00 volume  0.69065E-03 ppm1      6.923 ppm2      4.272 CV     1
 ASSI {  888}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      6.000     5.700     0.000 peak   888 spectrum    1 weight  0.66828E+00 volume  0.15692E-03 ppm1      6.923 ppm2      3.419 CV     1
 ASSI {  893}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.700     2.700     1.300 peak   893 spectrum    1 weight  0.71822E+00 volume  0.15798E-02 ppm1      8.221 ppm2      8.896 CV     1
 ASSI {  895}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA2 ))
      3.200     1.300     1.300 peak   895 spectrum    1 weight  0.10000E+01 volume  0.55465E-02 ppm1      8.221 ppm2      3.501 CV     1
 ASSI {  912}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.10710E-01 ppm1      8.621 ppm2      9.876 CV     1
 ASSI {  913}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.300     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.16004E-01 ppm1      8.621 ppm2      9.106 CV     1
 ASSI {  928}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   928 spectrum    1 weight  0.10000E+01 volume  0.69889E-02 ppm1      8.221 ppm2      8.505 CV     1
 ASSI {  931}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   931 spectrum    1 weight  0.92308E+00 volume  0.93532E-02 ppm1      8.215 ppm2      4.707 CV     1
 OR {  931}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA1 ))
 ASSI {  934}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   934 spectrum    1 weight  0.92308E+00 volume  0.25550E-01 ppm1      8.155 ppm2      3.833 CV     1
 ASSI {  936}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.700     1.700     1.700 peak   936 spectrum    1 weight  0.92308E+00 volume  0.56350E-02 ppm1      8.157 ppm2      2.236 CV     1
 OR {  936}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {  938}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.200     1.300     1.300 peak   938 spectrum    1 weight  0.86391E+00 volume  0.12091E-01 ppm1      8.153 ppm2      7.419 CV     1
 ASSI {  944}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   944 spectrum    1 weight  0.62059E+00 volume  0.11218E-02 ppm1      7.349 ppm2      5.291 CV     1
 ASSI {  946}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.500     2.500     1.500 peak   946 spectrum    1 weight  0.70478E+00 volume  0.12917E-02 ppm1      7.352 ppm2      3.445 CV     1
 ASSI {  947}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      5.200     3.400     0.800 peak   947 spectrum    1 weight  0.69229E+00 volume  0.99122E-03 ppm1      7.352 ppm2      3.164 CV     1
 ASSI {  958}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.300     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.17137E-01 ppm1      8.284 ppm2      7.926 CV     1
 ASSI {  959}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak   959 spectrum    1 weight  0.92308E+00 volume  0.12264E-01 ppm1      8.284 ppm2      7.690 CV     1
 ASSI {  978}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   978 spectrum    1 weight  0.92308E+00 volume  0.70154E-02 ppm1      7.549 ppm2      8.565 CV     1
 ASSI {  979}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.90071E-02 ppm1      7.548 ppm2      8.231 CV     1
 ASSI {  988}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      6.000     5.900     0.000 peak   988 spectrum    1 weight  0.56904E+00 volume  0.79743E-04 ppm1      7.547 ppm2      2.534 CV     1
 ASSI {  994}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      2.800     0.900     0.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.69944E-02 ppm1      7.452 ppm2      7.705 CV     1
 ASSI {  995}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      3.700     1.700     1.700 peak   995 spectrum    1 weight  0.69850E+00 volume  0.25985E-02 ppm1      7.449 ppm2      3.678 CV     1
 ASSI { 1000}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak  1000 spectrum    1 weight  0.67881E+00 volume  0.60261E-03 ppm1      7.351 ppm2      8.912 CV     1
 ASSI { 1014}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.73516E-02 ppm1      8.023 ppm2      9.119 CV     1
 ASSI { 1015}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      2.700     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.76157E-02 ppm1      8.024 ppm2      7.458 CV     1
 ASSI { 1023}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 149  and name HD1%)
      5.500     3.800     0.500 peak  1023 spectrum    1 weight  0.67056E+00 volume  0.53569E-03 ppm1      8.028 ppm2      0.227 CV     1
 OR { 1023}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 149  and name HD2%)
 ASSI { 1031}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.600     0.000 peak  1031 spectrum    1 weight  0.59135E+00 volume  0.15647E-03 ppm1      6.972 ppm2      9.122 CV     1
 ASSI { 1033}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      2.700     0.900     0.900 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.78624E-02 ppm1      6.967 ppm2      8.748 CV     1
 ASSI { 1034}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      2.800     1.000     1.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.74883E-02 ppm1      6.966 ppm2      7.887 CV     1
 ASSI { 1036}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 140  and name HA  ))
      3.500     1.500     1.500 peak  1036 spectrum    1 weight  0.80073E+00 volume  0.29874E-02 ppm1      6.966 ppm2      4.155 CV     1
 ASSI { 1045}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      3.900     1.900     1.900 peak  1045 spectrum    1 weight  0.92308E+00 volume  0.80739E-02 ppm1      6.967 ppm2      0.700 CV     1
 ASSI { 1051}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.600     0.800     0.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.13339E-01 ppm1      8.676 ppm2      6.412 CV     1
 ASSI { 1053}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
      3.300     1.300     1.300 peak  1053 spectrum    1 weight  0.91141E+00 volume  0.44624E-02 ppm1      8.676 ppm2      3.783 CV     1
 ASSI { 1066}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.900     1.000     1.000 peak  1066 spectrum    1 weight  0.86391E+00 volume  0.73349E-02 ppm1      8.270 ppm2      3.987 CV     1
 ASSI { 1069}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.500     0.800     0.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.10427E-01 ppm1      8.266 ppm2      7.252 CV     1
 ASSI { 1078}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      2.700     0.900     0.900 peak  1078 spectrum    1 weight  0.92308E+00 volume  0.13726E-01 ppm1      8.024 ppm2      3.855 CV     1
 ASSI { 1086}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      3.300     1.400     1.400 peak  1086 spectrum    1 weight  0.73254E+00 volume  0.18603E-02 ppm1      7.679 ppm2      8.211 CV     1
 ASSI { 1106}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak  1106 spectrum    1 weight  0.69451E+00 volume  0.10478E-02 ppm1      8.851 ppm2      7.572 CV     1
 OR { 1106}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1109}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.200     2.200     1.800 peak  1109 spectrum    1 weight  0.80472E+00 volume  0.30464E-02 ppm1      8.851 ppm2      0.510 CV     1
 ASSI { 1114}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak  1114 spectrum    1 weight  0.74658E+00 volume  0.21159E-02 ppm1      8.848 ppm2      3.284 CV     1
 ASSI { 1125}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 144  and name HB2 ))
      5.700     4.000     0.300 peak  1125 spectrum    1 weight  0.67382E+00 volume  0.42338E-03 ppm1      8.676 ppm2      3.060 CV     1
 ASSI { 1126}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      6.000     5.000     0.000 peak  1126 spectrum    1 weight  0.56092E+00 volume  0.76127E-04 ppm1      8.672 ppm2      8.133 CV     1
 ASSI { 1153}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.10297E-01 ppm1      6.640 ppm2      7.793 CV     1
 ASSI { 1162}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.200     1.200 peak  1162 spectrum    1 weight  0.94214E+00 volume  0.48285E-02 ppm1      6.640 ppm2     -0.731 CV     1
 ASSI { 1163}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1163 spectrum    1 weight  0.66826E+00 volume  0.15572E-03 ppm1      6.637 ppm2      8.578 CV     1
 ASSI { 1170}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.100     1.100 peak  1170 spectrum    1 weight  0.54759E+00 volume  0.19604E-02 ppm1      9.083 ppm2      7.590 CV     1
 ASSI { 1171}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  1171 spectrum    1 weight  0.89468E+00 volume  0.92916E-02 ppm1      9.077 ppm2      4.721 CV     1
 ASSI { 1172}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG11))
      6.000     5.000     0.000 peak  1172 spectrum    1 weight  0.60391E+00 volume  0.30409E-03 ppm1      9.077 ppm2      0.501 CV     1
 ASSI { 1174}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  1174 spectrum    1 weight  0.62601E+00 volume  0.12495E-02 ppm1      9.066 ppm2      7.586 CV     1
 ASSI { 1176}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.800     2.900     1.200 peak  1176 spectrum    1 weight  0.67537E+00 volume  0.48245E-03 ppm1      8.845 ppm2      3.459 CV     1
 ASSI { 1177}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  1177 spectrum    1 weight  0.88865E+00 volume  0.50986E-02 ppm1      8.143 ppm2      7.419 CV     1
 ASSI { 1180}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.88804E-02 ppm1      7.929 ppm2      8.278 CV     1
 ASSI { 1185}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.11590E-01 ppm1      7.928 ppm2      7.032 CV     1
 ASSI { 1192}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 62   and name HD2%)
      6.000     4.800     0.000 peak  1192 spectrum    1 weight  0.68965E+00 volume  0.92193E-03 ppm1      7.925 ppm2      0.520 CV     1
 ASSI { 1193}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     6.000     0.000 peak  1193 spectrum    1 weight  0.59128E+00 volume  0.15214E-03 ppm1      7.922 ppm2      1.111 CV     1
 OR { 1193}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 1195}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HD21))
      5.100     3.200     0.900 peak  1195 spectrum    1 weight  0.66902E+00 volume  0.20183E-03 ppm1      6.929 ppm2      7.486 CV     1
 ASSI { 1200}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.100     1.100 peak  1200 spectrum    1 weight  0.96422E+00 volume  0.50832E-02 ppm1      6.926 ppm2      8.564 CV     1
 ASSI { 1201}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.58028E-02 ppm1      6.926 ppm2      7.674 CV     1
 ASSI { 1207}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  1207 spectrum    1 weight  0.68695E+00 volume  0.84819E-03 ppm1      6.926 ppm2      3.662 CV     1
 ASSI { 1230}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      5.200     3.400     0.800 peak  1230 spectrum    1 weight  0.67736E+00 volume  0.75363E-03 ppm1      8.003 ppm2      7.259 CV     1
 ASSI { 1232}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.900     0.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.78097E-02 ppm1      7.997 ppm2      9.108 CV     1
 ASSI { 1233}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  1233 spectrum    1 weight  0.76647E+00 volume  0.24540E-02 ppm1      7.996 ppm2      8.620 CV     1
 OR { 1233}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 1236}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      3.600     1.600     1.600 peak  1236 spectrum    1 weight  0.70034E+00 volume  0.26278E-02 ppm1      7.996 ppm2      4.551 CV     1
 ASSI { 1241}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      5.300     3.500     0.700 peak  1241 spectrum    1 weight  0.61730E+00 volume  0.36331E-03 ppm1      7.723 ppm2      3.116 CV     1
 OR { 1241}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
 OR { 1241}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 1245}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.19168E-01 ppm1      7.463 ppm2      8.281 CV     1
 ASSI { 1246}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.600     0.600 peak  1246 spectrum    1 weight  0.92308E+00 volume  0.27940E-01 ppm1      7.463 ppm2      8.094 CV     1
 ASSI { 1251}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak  1251 spectrum    1 weight  0.92308E+00 volume  0.56997E-02 ppm1      7.464 ppm2      3.473 CV     1
 ASSI { 1253}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.900     1.100     1.100 peak  1253 spectrum    1 weight  0.86391E+00 volume  0.22032E-01 ppm1      7.463 ppm2      1.841 CV     1
 ASSI { 1254}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
      2.300     0.700     0.700 peak  1254 spectrum    1 weight  0.81839E+00 volume  0.36867E-01 ppm1      7.461 ppm2      1.609 CV     1
 ASSI { 1264}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      6.000     4.800     0.000 peak  1264 spectrum    1 weight  0.63936E+00 volume  0.33364E-03 ppm1      9.012 ppm2      5.283 CV     1
 OR { 1264}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1265}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.400     1.500     1.500 peak  1265 spectrum    1 weight  0.67060E+00 volume  0.21326E-02 ppm1      9.011 ppm2      3.714 CV     1
 ASSI { 1267}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.600     0.000 peak  1267 spectrum    1 weight  0.59210E+00 volume  0.20188E-03 ppm1      9.009 ppm2      7.311 CV     1
 ASSI { 1269}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     6.000     0.000 peak  1269 spectrum    1 weight  0.48091E+00 volume  0.12792E-04 ppm1      8.514 ppm2      8.126 CV     1
 ASSI { 1274}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.10692E-01 ppm1      8.512 ppm2      7.761 CV     1
 ASSI { 1275}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.11009E-01 ppm1      8.512 ppm2      7.506 CV     1
 ASSI { 1283}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      5.700     4.000     0.300 peak  1283 spectrum    1 weight  0.61111E+00 volume  0.87819E-03 ppm1      8.511 ppm2      2.283 CV     1
 OR { 1283}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI { 1286}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     6.000     0.000 peak  1286 spectrum    1 weight  0.58978E+00 volume  0.13023E-04 ppm1      8.510 ppm2      0.570 CV     1
 ASSI { 1289}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  1289 spectrum    1 weight  0.94529E+00 volume  0.48652E-02 ppm1      8.200 ppm2      9.414 CV     1
 ASSI { 1290}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      5.200     3.400     0.800 peak  1290 spectrum    1 weight  0.67485E+00 volume  0.46298E-03 ppm1      8.200 ppm2      8.903 CV     1
 ASSI { 1292}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  1292 spectrum    1 weight  0.86391E+00 volume  0.68996E-02 ppm1      8.200 ppm2      8.068 CV     1
 ASSI { 1294}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      3.700     1.700     1.700 peak  1294 spectrum    1 weight  0.75022E+00 volume  0.21798E-02 ppm1      8.200 ppm2      4.283 CV     1
 ASSI { 1304}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.70103E-02 ppm1      7.728 ppm2      8.143 CV     1
 ASSI { 1306}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.10818E-01 ppm1      7.728 ppm2      6.546 CV     1
 ASSI { 1318}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     6.000     0.000 peak  1318 spectrum    1 weight  0.59059E+00 volume  0.10195E-03 ppm1      7.725 ppm2      7.526 CV     1
 ASSI { 1322}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.800     2.900     1.200 peak  1322 spectrum    1 weight  0.71995E+00 volume  0.16150E-02 ppm1      7.726 ppm2      0.503 CV     1
 ASSI { 1325}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.87837E-02 ppm1      7.463 ppm2      4.819 CV     1
 OR { 1325}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1327}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      5.400     3.700     0.600 peak  1327 spectrum    1 weight  0.66940E+00 volume  0.22315E-03 ppm1      7.422 ppm2      8.585 CV     1
 ASSI { 1328}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.500     1.500 peak  1328 spectrum    1 weight  0.86391E+00 volume  0.68348E-02 ppm1      7.420 ppm2      8.144 CV     1
 ASSI { 1332}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1332 spectrum    1 weight  0.91685E+00 volume  0.45283E-02 ppm1      7.419 ppm2      3.569 CV     1
 ASSI { 1334}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak  1334 spectrum    1 weight  0.86391E+00 volume  0.68455E-02 ppm1      7.420 ppm2      2.002 CV     1
 OR { 1334}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 1344}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     1.700     1.700 peak  1344 spectrum    1 weight  0.69938E+00 volume  0.11665E-02 ppm1      9.011 ppm2      7.576 CV     1
 ASSI { 1350}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.800     1.800     1.800 peak  1350 spectrum    1 weight  0.61894E+00 volume  0.32305E-02 ppm1      8.663 ppm2      8.544 CV     1
 ASSI { 1354}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      5.400     3.600     0.600 peak  1354 spectrum    1 weight  0.68348E+00 volume  0.74862E-03 ppm1      8.201 ppm2      4.515 CV     1
 ASSI { 1357}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      2.800     0.900     0.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.66029E-02 ppm1      7.774 ppm2      8.384 CV     1
 ASSI { 1359}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.800     1.000     1.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.66098E-02 ppm1      7.774 ppm2      7.059 CV     1
 ASSI { 1360}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.500     1.600     1.600 peak  1360 spectrum    1 weight  0.74488E+00 volume  0.20858E-02 ppm1      7.775 ppm2      4.373 CV     1
 ASSI { 1362}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      5.500     3.800     0.500 peak  1362 spectrum    1 weight  0.67414E+00 volume  0.67880E-03 ppm1      7.771 ppm2      3.641 CV     1
 ASSI { 1369}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 134  and name HG2%)
      3.400     1.400     1.400 peak  1369 spectrum    1 weight  0.93217E+00 volume  0.47112E-02 ppm1      7.774 ppm2      1.108 CV     1
 OR { 1369}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 58   and name HG1 ))
 ASSI { 1382}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.94098E-02 ppm1      9.879 ppm2      5.117 CV     1
 ASSI { 1387}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      2.400     0.700     0.700 peak  1387 spectrum    1 weight  0.92308E+00 volume  0.12674E-01 ppm1      9.878 ppm2      2.189 CV     1
 ASSI { 1388}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      4.100     2.200     1.900 peak  1388 spectrum    1 weight  0.68474E+00 volume  0.23745E-02 ppm1      9.876 ppm2      2.015 CV     1
 ASSI { 1389}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.900     1.900     1.900 peak  1389 spectrum    1 weight  0.97057E+00 volume  0.51552E-02 ppm1      9.880 ppm2      1.823 CV     1
 ASSI { 1393}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.600     1.600     1.600 peak  1393 spectrum    1 weight  0.72843E+00 volume  0.30557E-02 ppm1      8.675 ppm2      3.715 CV     1
 ASSI { 1395}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.92309E-02 ppm1      8.672 ppm2      8.231 CV     1
 ASSI { 1396}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak  1396 spectrum    1 weight  0.92308E+00 volume  0.12219E-01 ppm1      8.671 ppm2      8.029 CV     1
 ASSI { 1397}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.600     2.600     1.400 peak  1397 spectrum    1 weight  0.68176E+00 volume  0.69651E-03 ppm1      8.671 ppm2      7.534 CV     1
 ASSI { 1429}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.70036E-02 ppm1      8.232 ppm2      7.554 CV     1
 ASSI { 1435}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.300     1.300 peak  1435 spectrum    1 weight  0.73692E+00 volume  0.31791E-02 ppm1      8.232 ppm2      4.086 CV     1
 ASSI { 1440}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      2.700     0.900     0.900 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.90900E-02 ppm1      7.887 ppm2      9.119 CV     1
 ASSI { 1445}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      2.500     0.800     0.800 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.13544E-01 ppm1      7.887 ppm2      6.972 CV     1
 ASSI { 1447}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      3.300     1.400     1.400 peak  1447 spectrum    1 weight  0.92745E+00 volume  0.46552E-02 ppm1      7.888 ppm2      4.144 CV     1
 ASSI { 1540}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.77484E-02 ppm1      8.231 ppm2      8.669 CV     1
 ASSI { 1569}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      5.300     3.600     0.700 peak  1569 spectrum    1 weight  0.69826E+00 volume  0.11398E-02 ppm1      7.034 ppm2      2.474 CV     1
 ASSI { 1570}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      5.200     3.300     0.800 peak  1570 spectrum    1 weight  0.67755E+00 volume  0.56010E-03 ppm1      7.030 ppm2      8.278 CV     1
 ASSI { 1571}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.900     0.000 peak  1571 spectrum    1 weight  0.62391E+00 volume  0.12009E-02 ppm1      7.030 ppm2      8.075 CV     1
 ASSI { 1572}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.000     0.500     0.500 peak  1572 spectrum    1 weight  0.92308E+00 volume  0.19769E-01 ppm1      7.029 ppm2      7.917 CV     1
 OR { 1572}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1575}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.600     1.600 peak  1575 spectrum    1 weight  0.77992E+00 volume  0.26697E-02 ppm1      7.029 ppm2      3.896 CV     1
 ASSI { 1613}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      5.200     3.400     0.800 peak  1613 spectrum    1 weight  0.69343E+00 volume  0.10205E-02 ppm1      7.130 ppm2      9.129 CV     1
 ASSI { 1617}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      5.200     3.400     0.800 peak  1617 spectrum    1 weight  0.67512E+00 volume  0.47325E-03 ppm1      7.028 ppm2      3.742 CV     1
 ASSI { 1621}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak  1621 spectrum    1 weight  0.83165E+00 volume  0.34307E-02 ppm1      8.556 ppm2      8.836 CV     1
 ASSI { 1623}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak  1623 spectrum    1 weight  0.94390E+00 volume  0.48490E-02 ppm1      8.557 ppm2      7.558 CV     1
 ASSI { 1638}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA2 ))
      5.100     3.200     0.900 peak  1638 spectrum    1 weight  0.71492E+00 volume  0.15115E-02 ppm1      8.884 ppm2      3.577 CV     1
 ASSI { 1639}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.900     0.900 peak  1639 spectrum    1 weight  0.82688E+00 volume  0.33643E-02 ppm1      8.881 ppm2      9.412 CV     1
 ASSI { 1642}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      4.200     2.200     1.800 peak  1642 spectrum    1 weight  0.71115E+00 volume  0.14319E-02 ppm1      8.881 ppm2      5.301 CV     1
 ASSI { 1643}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak  1643 spectrum    1 weight  0.92308E+00 volume  0.83403E-02 ppm1      8.882 ppm2      4.707 CV     1
 ASSI { 1651}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     6.000     0.000 peak  1651 spectrum    1 weight  0.59069E+00 volume  0.11001E-03 ppm1      8.880 ppm2      0.763 CV     1
 OR { 1651}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1654}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     6.000     0.000 peak  1654 spectrum    1 weight  0.55755E+00 volume  0.25984E-04 ppm1      8.748 ppm2      2.597 CV     1
 ASSI { 1656}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      5.600     4.000     0.400 peak  1656 spectrum    1 weight  0.66923E+00 volume  0.21378E-03 ppm1      8.739 ppm2      7.891 CV     1
 ASSI { 1658}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.14501E-01 ppm1      8.740 ppm2      5.711 CV     1
 ASSI { 1659}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.000     1.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.55501E-02 ppm1      8.739 ppm2      5.492 CV     1
 ASSI { 1668}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.800     1.800     1.800 peak  1668 spectrum    1 weight  0.75770E+00 volume  0.23079E-02 ppm1      8.558 ppm2      4.347 CV     1
 ASSI { 1675}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.89515E-02 ppm1      7.506 ppm2      8.511 CV     1
 ASSI { 1690}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.500     1.500 peak  1690 spectrum    1 weight  0.69149E+00 volume  0.97041E-03 ppm1      7.502 ppm2      6.313 CV     1
 ASSI { 1692}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak  1692 spectrum    1 weight  0.77577E+00 volume  0.37165E-02 ppm1      7.409 ppm2      8.140 CV     1
 ASSI { 1700}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      5.200     3.400     0.800 peak  1700 spectrum    1 weight  0.67123E+00 volume  0.31372E-03 ppm1      7.343 ppm2      4.002 CV     1
 ASSI { 1703}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.000     2.000     2.000 peak  1703 spectrum    1 weight  0.87329E+00 volume  0.39861E-02 ppm1      9.140 ppm2      8.707 CV     1
 OR { 1703}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 1704}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      1.800     0.400     0.400 peak  1704 spectrum    1 weight  0.92308E+00 volume  0.38617E-01 ppm1      9.137 ppm2      5.324 CV     1
 ASSI { 1709}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      4.900     3.000     1.100 peak  1709 spectrum    1 weight  0.76972E+00 volume  0.27082E-02 ppm1      9.142 ppm2      0.430 CV     1
 ASSI { 1710}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.800     1.800     1.800 peak  1710 spectrum    1 weight  0.84594E+00 volume  0.46005E-02 ppm1      9.136 ppm2      1.819 CV     1
 ASSI { 1716}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      2.800     1.000     1.000 peak  1716 spectrum    1 weight  0.92308E+00 volume  0.74974E-02 ppm1      8.650 ppm2      8.058 CV     1
 ASSI { 1717}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      2.900     1.000     1.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.56843E-02 ppm1      8.650 ppm2      7.707 CV     1
 ASSI { 1718}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      4.700     2.800     1.300 peak  1718 spectrum    1 weight  0.68836E+00 volume  0.88708E-03 ppm1      8.650 ppm2      7.443 CV     1
 OR { 1718}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 151  and name HN  ))
 ASSI { 1726}
   (( segid "    " and resid 149  and name HN  ))
   (  segid "    " and resid 145  and name HD1%)
      5.000     3.200     1.000 peak  1726 spectrum    1 weight  0.67704E+00 volume  0.54238E-03 ppm1      8.652 ppm2      0.512 CV     1
 ASSI { 1730}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.200     2.200     1.800 peak  1730 spectrum    1 weight  0.70282E+00 volume  0.12470E-02 ppm1      8.204 ppm2      7.261 CV     1
 ASSI { 1734}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.200     0.600     0.600 peak  1734 spectrum    1 weight  0.86391E+00 volume  0.21124E-01 ppm1      8.203 ppm2      8.061 CV     1
 ASSI { 1738}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      5.700     4.100     0.300 peak  1738 spectrum    1 weight  0.54723E+00 volume  0.34065E-03 ppm1      8.202 ppm2      3.336 CV     1
 ASSI { 1744}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.700     1.700     1.700 peak  1744 spectrum    1 weight  0.73409E+00 volume  0.18892E-02 ppm1      7.725 ppm2      4.906 CV     1
 ASSI { 1746}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     6.000     0.000 peak  1746 spectrum    1 weight  0.48509E+00 volume  0.13059E-04 ppm1      7.726 ppm2      1.050 CV     1
 ASSI { 1748}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      5.800     4.300     0.200 peak  1748 spectrum    1 weight  0.59236E+00 volume  0.21649E-03 ppm1      7.508 ppm2      8.150 CV     1
 ASSI { 1751}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak  1751 spectrum    1 weight  0.72895E+00 volume  0.19498E-02 ppm1      7.412 ppm2      6.323 CV     1
 ASSI { 1756}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      5.800     4.100     0.200 peak  1756 spectrum    1 weight  0.68258E+00 volume  0.72144E-03 ppm1      7.342 ppm2      9.437 CV     1
 ASSI { 1757}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.400     0.700     0.700 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.18363E-01 ppm1      7.343 ppm2      7.881 CV     1
 ASSI { 1763}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.400     1.400     1.400 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.57379E-02 ppm1      7.343 ppm2      4.461 CV     1
 ASSI { 1768}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.700     1.700     1.700 peak  1768 spectrum    1 weight  0.85978E+00 volume  0.38103E-02 ppm1      7.342 ppm2      2.414 CV     1
 ASSI { 1769}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      4.000     2.000     2.000 peak  1769 spectrum    1 weight  0.81318E+00 volume  0.31696E-02 ppm1      7.343 ppm2      2.035 CV     1
 ASSI { 1773}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 96   and name HG2%)
      4.900     3.000     1.100 peak  1773 spectrum    1 weight  0.62970E+00 volume  0.13331E-02 ppm1      7.342 ppm2      0.734 CV     1
 ASSI { 1776}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.800     1.800     1.800 peak  1776 spectrum    1 weight  0.81007E+00 volume  0.31246E-02 ppm1      8.205 ppm2      4.698 CV     1
 ASSI { 1781}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      6.000     6.000     0.000 peak  1781 spectrum    1 weight  0.57968E+00 volume  0.13197E-04 ppm1      8.199 ppm2      7.844 CV     1
 OR { 1781}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 1785}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.400     3.600     0.600 peak  1785 spectrum    1 weight  0.67394E+00 volume  0.42824E-03 ppm1      8.145 ppm2      8.612 CV     1
 ASSI { 1787}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak  1787 spectrum    1 weight  0.92308E+00 volume  0.73582E-02 ppm1      8.145 ppm2      7.729 CV     1
 ASSI { 1788}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak  1788 spectrum    1 weight  0.85267E+00 volume  0.46807E-02 ppm1      8.145 ppm2      7.567 CV     1
 ASSI { 1789}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     6.000     0.000 peak  1789 spectrum    1 weight  0.48509E+00 volume  0.12869E-04 ppm1      8.142 ppm2      6.547 CV     1
 ASSI { 1792}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.800     2.900     1.200 peak  1792 spectrum    1 weight  0.67646E+00 volume  0.52221E-03 ppm1      8.144 ppm2      3.644 CV     1
 ASSI { 1794}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.200     2.200     1.800 peak  1794 spectrum    1 weight  0.70318E+00 volume  0.12552E-02 ppm1      8.144 ppm2      3.281 CV     1
 OR { 1794}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1800}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.800     1.000     1.000 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.12340E-01 ppm1      8.145 ppm2      0.109 CV     1
 ASSI { 1805}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     6.000     0.000 peak  1805 spectrum    1 weight  0.59147E+00 volume  0.16406E-03 ppm1      7.727 ppm2     -0.025 CV     1
 ASSI { 1806}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.500     0.800     0.800 peak  1806 spectrum    1 weight  0.99734E+00 volume  0.54537E-02 ppm1      7.726 ppm2      8.334 CV     1
 ASSI { 1807}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      5.600     3.900     0.400 peak  1807 spectrum    1 weight  0.68512E+00 volume  0.79627E-03 ppm1      7.723 ppm2      7.983 CV     1
 ASSI { 1820}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.500     1.500 peak  1820 spectrum    1 weight  0.73095E+00 volume  0.18302E-02 ppm1      8.246 ppm2      4.189 CV     1
 ASSI { 1821}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.10745E-01 ppm1      8.244 ppm2      9.219 CV     1
 ASSI { 1823}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.000     0.500     0.500 peak  1823 spectrum    1 weight  0.86391E+00 volume  0.26354E-01 ppm1      8.243 ppm2      8.105 CV     1
 ASSI { 1825}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.600     2.700     1.400 peak  1825 spectrum    1 weight  0.72539E+00 volume  0.17230E-02 ppm1      8.243 ppm2      3.459 CV     1
 ASSI { 1826}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.500     1.500 peak  1826 spectrum    1 weight  0.75170E+00 volume  0.22054E-02 ppm1      8.242 ppm2      3.253 CV     1
 ASSI { 1836}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      5.600     3.900     0.400 peak  1836 spectrum    1 weight  0.68857E+00 volume  0.89275E-03 ppm1      8.242 ppm2      7.470 CV     1
 ASSI { 1838}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      6.000     4.500     0.000 peak  1838 spectrum    1 weight  0.68627E+00 volume  0.82916E-03 ppm1      8.241 ppm2      2.346 CV     1
 ASSI { 1852}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      2.700     0.900     0.900 peak  1852 spectrum    1 weight  0.92308E+00 volume  0.81982E-02 ppm1      7.822 ppm2      8.602 CV     1
 ASSI { 1853}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.000     0.500     0.500 peak  1853 spectrum    1 weight  0.86391E+00 volume  0.50569E-01 ppm1      7.822 ppm2      7.132 CV     1
 ASSI { 1855}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.800     1.800     1.800 peak  1855 spectrum    1 weight  0.63532E+00 volume  0.14552E-02 ppm1      7.824 ppm2      3.849 CV     1
 ASSI { 1900}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     6.000     0.000 peak  1900 spectrum    1 weight  0.59007E+00 volume  0.54389E-04 ppm1      9.134 ppm2      9.422 CV     1
 ASSI { 1903}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.800     1.000     1.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.62422E-02 ppm1      9.135 ppm2      8.199 CV     1
 ASSI { 1905}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.300     0.600     0.600 peak  1905 spectrum    1 weight  0.86391E+00 volume  0.35911E-01 ppm1      9.135 ppm2      4.391 CV     1
 ASSI { 1932}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.400     1.400     1.400 peak  1932 spectrum    1 weight  0.92121E+00 volume  0.45807E-02 ppm1      7.820 ppm2      4.859 CV     1
 ASSI { 2008}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     6.000     0.000 peak  2008 spectrum    1 weight  0.59143E+00 volume  0.16136E-03 ppm1      7.775 ppm2      9.021 CV     1
 ASSI { 2015}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  2015 spectrum    1 weight  0.92308E+00 volume  0.16696E-01 ppm1      7.766 ppm2      7.143 CV     1
 ASSI { 2016}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  2016 spectrum    1 weight  0.86391E+00 volume  0.60923E-02 ppm1      7.767 ppm2      3.932 CV     1
 ASSI { 2032}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.500     0.800     0.800 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.10145E-01 ppm1      7.251 ppm2      8.261 CV     1
 ASSI { 2057}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     6.000     0.000 peak  2057 spectrum    1 weight  0.59005E+00 volume  0.52389E-04 ppm1      7.813 ppm2      5.537 CV     1
 ASSI { 2058}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  2058 spectrum    1 weight  0.86391E+00 volume  0.10162E-01 ppm1      7.812 ppm2      3.980 CV     1
 ASSI { 2061}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.600     0.000 peak  2061 spectrum    1 weight  0.66829E+00 volume  0.15740E-03 ppm1      7.810 ppm2      9.207 CV     1
 ASSI { 2065}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  2065 spectrum    1 weight  0.92308E+00 volume  0.84529E-02 ppm1      7.764 ppm2      8.508 CV     1
 ASSI { 2085}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      5.500     3.800     0.500 peak  2085 spectrum    1 weight  0.68659E+00 volume  0.83818E-03 ppm1      7.231 ppm2      8.844 CV     1
 ASSI { 2086}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak  2086 spectrum    1 weight  0.76029E+00 volume  0.23514E-02 ppm1      7.232 ppm2      8.468 CV     1
 ASSI { 2088}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     0.700     0.700 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.27060E-01 ppm1      7.234 ppm2      7.816 CV     1
 ASSI { 2091}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.86456E-02 ppm1      7.233 ppm2      4.293 CV     1
 ASSI { 2102}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      5.300     3.500     0.700 peak  2102 spectrum    1 weight  0.69055E+00 volume  0.94592E-03 ppm1      9.441 ppm2      9.149 CV     1
 ASSI { 2111}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.500     2.500     1.500 peak  2111 spectrum    1 weight  0.72775E+00 volume  0.30457E-02 ppm1      9.438 ppm2      7.337 CV     1
 ASSI { 2113}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.300     0.700     0.700 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.23358E-01 ppm1      9.437 ppm2      4.869 CV     1
 ASSI { 2116}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.400     0.700     0.700 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.96380E-02 ppm1      9.437 ppm2      3.057 CV     1
 ASSI { 2117}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.900     1.900     1.900 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.60251E-02 ppm1      9.437 ppm2      2.840 CV     1
 ASSI { 2119}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 103  and name HG2%)
      3.700     1.700     1.700 peak  2119 spectrum    1 weight  0.78709E+00 volume  0.27812E-02 ppm1      9.438 ppm2      0.922 CV     1
 ASSI { 2130}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.000     2.000     2.000 peak  2130 spectrum    1 weight  0.92308E+00 volume  0.58824E-02 ppm1      7.912 ppm2      2.071 CV     1
 ASSI { 2134}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.000     0.500     0.500 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.20444E-01 ppm1      7.907 ppm2      7.032 CV     1
 ASSI { 2141}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD1%)
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.59122E+00 volume  0.14771E-03 ppm1      7.896 ppm2      0.303 CV     1
 ASSI { 2143}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak  2143 spectrum    1 weight  0.92308E+00 volume  0.20695E-01 ppm1      7.810 ppm2      8.467 CV     1
 ASSI { 2151}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     1.300     1.300 peak  2151 spectrum    1 weight  0.85644E+00 volume  0.37663E-02 ppm1      8.045 ppm2      4.328 CV     1
 ASSI { 2155}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      2.500     0.800     0.800 peak  2155 spectrum    1 weight  0.92308E+00 volume  0.13852E-01 ppm1      7.925 ppm2      7.589 CV     1
 ASSI { 2159}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      4.000     2.000     2.000 peak  2159 spectrum    1 weight  0.66311E+00 volume  0.19987E-02 ppm1      7.923 ppm2      2.568 CV     1
 ASSI { 2166}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.200     3.400     0.800 peak  2166 spectrum    1 weight  0.67128E+00 volume  0.31590E-03 ppm1     11.272 ppm2      8.050 CV     1
 ASSI { 2171}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.100     0.600     0.600 peak  2171 spectrum    1 weight  0.86391E+00 volume  0.27605E-01 ppm1      8.046 ppm2      8.190 CV     1
 ASSI { 2177}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.500     0.800     0.800 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.15058E-01 ppm1      8.045 ppm2      3.298 CV     1
 OR { 2177}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI { 2182}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.63375E-02 ppm1      7.680 ppm2      8.283 CV     1
 ASSI { 2184}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  2184 spectrum    1 weight  0.98554E+00 volume  0.53232E-02 ppm1      7.682 ppm2      6.926 CV     1
 ASSI { 2187}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak  2187 spectrum    1 weight  0.69754E+00 volume  0.11223E-02 ppm1      7.683 ppm2      3.256 CV     1
 ASSI { 2195}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.500     1.500 peak  2195 spectrum    1 weight  0.81469E+00 volume  0.31913E-02 ppm1     11.273 ppm2      6.646 CV     1
 OR { 2195}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HE% )
 ASSI { 2203}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HE1 ))
      5.800     4.200     0.200 peak  2203 spectrum    1 weight  0.69060E+00 volume  0.94707E-03 ppm1      7.681 ppm2      2.350 CV     1
 ASSI { 2209}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.800     1.800     1.800 peak  2209 spectrum    1 weight  0.68365E+00 volume  0.75366E-03 ppm1      7.530 ppm2      9.136 CV     1
 ASSI { 2210}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak  2210 spectrum    1 weight  0.77696E+00 volume  0.37323E-02 ppm1      7.526 ppm2      8.634 CV     1
 ASSI { 2212}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 119  and name HE% )
      6.000     6.000     0.000 peak  2212 spectrum    1 weight  0.58155E+00 volume  0.40023E-04 ppm1      7.527 ppm2      6.670 CV     1
 ASSI { 2213}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  2213 spectrum    1 weight  0.92308E+00 volume  0.13887E-01 ppm1      7.528 ppm2      5.154 CV     1
 ASSI { 2214}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      3.000     1.100     1.100 peak  2214 spectrum    1 weight  0.89560E+00 volume  0.42680E-02 ppm1      7.527 ppm2      4.546 CV     1
 ASSI { 2217}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      5.200     3.400     0.800 peak  2217 spectrum    1 weight  0.71847E+00 volume  0.15848E-02 ppm1      7.526 ppm2      2.587 CV     1
 ASSI { 2237}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.800     2.900     1.200 peak  2237 spectrum    1 weight  0.69305E+00 volume  0.10108E-02 ppm1      8.469 ppm2      7.235 CV     1
 ASSI { 2238}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
      4.000     2.000     2.000 peak  2238 spectrum    1 weight  0.82334E+00 volume  0.43259E-02 ppm1      8.467 ppm2      2.293 CV     1
 ASSI { 2239}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.300     1.300     1.300 peak  2239 spectrum    1 weight  0.80400E+00 volume  0.40837E-02 ppm1      7.860 ppm2      4.344 CV     1
 ASSI { 2242}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.500     0.800     0.800 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.14445E-01 ppm1      7.858 ppm2      7.254 CV     1
 ASSI { 2253}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HD21))
      5.200     3.300     0.800 peak  2253 spectrum    1 weight  0.52477E+00 volume  0.85623E-03 ppm1      7.680 ppm2      7.553 CV     1
 ASSI { 2258}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak  2258 spectrum    1 weight  0.86391E+00 volume  0.57011E-02 ppm1      8.686 ppm2      8.567 CV     1
 ASSI { 2260}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak  2260 spectrum    1 weight  0.99855E+00 volume  0.54669E-02 ppm1      8.465 ppm2      9.213 CV     1
 ASSI { 2262}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.10875E-01 ppm1      8.467 ppm2      7.812 CV     1
 ASSI { 2263}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak  2263 spectrum    1 weight  0.67550E+00 volume  0.22179E-02 ppm1      8.466 ppm2      4.875 CV     1
 ASSI { 2267}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  2267 spectrum    1 weight  0.92308E+00 volume  0.99764E-02 ppm1      8.467 ppm2      2.094 CV     1
 OR { 2267}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 2290}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.12006E-01 ppm1      8.565 ppm2      7.793 CV     1
 ASSI { 2291}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.82069E-02 ppm1      8.565 ppm2      6.927 CV     1
 ASSI { 2306}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.73209E-02 ppm1      7.576 ppm2      8.602 CV     1
 ASSI { 2307}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak  2307 spectrum    1 weight  0.86328E+00 volume  0.38562E-02 ppm1      7.577 ppm2      8.145 CV     1
 ASSI { 2311}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak  2311 spectrum    1 weight  0.75003E+00 volume  0.33653E-02 ppm1      7.573 ppm2      3.619 CV     1
 ASSI { 2321}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.700     2.700     1.300 peak  2321 spectrum    1 weight  0.76119E+00 volume  0.24969E-02 ppm1      7.578 ppm2      0.489 CV     1
 ASSI { 2334}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      2.700     0.900     0.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.91535E-02 ppm1      8.724 ppm2      8.151 CV     1
 ASSI { 2335}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.600     0.800     0.800 peak  2335 spectrum    1 weight  0.92308E+00 volume  0.11498E-01 ppm1      8.724 ppm2      6.413 CV     1
 ASSI { 2349}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
      6.000     6.000     0.000 peak  2349 spectrum    1 weight  0.58200E+00 volume  0.53292E-04 ppm1      8.564 ppm2      2.270 CV     1
 OR { 2349}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI { 2353}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 137  and name HG11))
      5.100     3.300     0.900 peak  2353 spectrum    1 weight  0.68264E+00 volume  0.72350E-03 ppm1      8.152 ppm2      0.255 CV     1
 ASSI { 2354}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak  2354 spectrum    1 weight  0.71299E+00 volume  0.14709E-02 ppm1      8.095 ppm2      9.219 CV     1
 ASSI { 2355}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      1.800     0.400     0.400 peak  2355 spectrum    1 weight  0.86391E+00 volume  0.52462E-01 ppm1      8.095 ppm2      8.235 CV     1
 ASSI { 2357}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak  2357 spectrum    1 weight  0.70870E+00 volume  0.36106E-02 ppm1      8.095 ppm2      7.978 CV     1
 ASSI { 2358}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     0.700     0.700 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.17296E-01 ppm1      8.094 ppm2      7.465 CV     1
 ASSI { 2360}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.74702E-02 ppm1      8.095 ppm2      4.397 CV     1
 ASSI { 2361}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak  2361 spectrum    1 weight  0.96414E+00 volume  0.50823E-02 ppm1      8.094 ppm2      4.193 CV     1
 ASSI { 2362}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak  2362 spectrum    1 weight  0.79000E+00 volume  0.28259E-02 ppm1      8.096 ppm2      3.998 CV     1
 ASSI { 2367}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HB% )
      3.300     1.400     1.400 peak  2367 spectrum    1 weight  0.86391E+00 volume  0.11783E-01 ppm1      8.095 ppm2      1.423 CV     1
 ASSI { 2368}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.700     2.800     1.300 peak  2368 spectrum    1 weight  0.74888E+00 volume  0.21564E-02 ppm1      8.091 ppm2      2.099 CV     1
 OR { 2368}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 2368}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 2370}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     6.000     0.000 peak  2370 spectrum    1 weight  0.52776E+00 volume  0.53256E-04 ppm1      7.582 ppm2      8.808 CV     1
 ASSI { 2373}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      5.200     3.400     0.800 peak  2373 spectrum    1 weight  0.67603E+00 volume  0.77651E-03 ppm1      7.141 ppm2      8.975 CV     1
 ASSI { 2374}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      5.400     3.600     0.600 peak  2374 spectrum    1 weight  0.68222E+00 volume  0.71058E-03 ppm1      7.141 ppm2      8.504 CV     1
 ASSI { 2375}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.13999E-01 ppm1      7.140 ppm2      7.764 CV     1
 ASSI { 2376}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      5.200     3.300     0.800 peak  2376 spectrum    1 weight  0.69932E+00 volume  0.11651E-02 ppm1      7.144 ppm2      7.423 CV     1
 ASSI { 2382}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.900     3.000     1.100 peak  2382 spectrum    1 weight  0.70033E+00 volume  0.19039E-02 ppm1      7.139 ppm2      4.740 CV     1
 ASSI { 2386}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  2386 spectrum    1 weight  0.85766E+00 volume  0.47397E-02 ppm1      7.140 ppm2      3.762 CV     1
 ASSI { 2389}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      4.600     2.600     1.400 peak  2389 spectrum    1 weight  0.87940E+00 volume  0.40643E-02 ppm1      7.139 ppm2      2.266 CV     1
 OR { 2389}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI { 2394}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  2394 spectrum    1 weight  0.75960E+00 volume  0.23399E-02 ppm1      7.142 ppm2      0.539 CV     1
 ASSI { 2398}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      4.800     2.900     1.200 peak  2398 spectrum    1 weight  0.67575E+00 volume  0.49667E-03 ppm1      8.726 ppm2      7.356 CV     1
 ASSI { 2401}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 139  and name HN  ))
      3.000     1.200     1.200 peak  2401 spectrum    1 weight  0.87826E+00 volume  0.40498E-02 ppm1      8.150 ppm2      8.721 CV     1
 ASSI { 2403}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      2.600     0.900     0.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.69486E-02 ppm1      8.148 ppm2      7.350 CV     1
 ASSI { 2414}
   (( segid "    " and resid 138  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     6.000     0.000 peak  2414 spectrum    1 weight  0.59004E+00 volume  0.51076E-04 ppm1      8.143 ppm2      8.381 CV     1
 ASSI { 2417}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      2.900     1.100     1.100 peak  2417 spectrum    1 weight  0.88991E+00 volume  0.41970E-02 ppm1      7.351 ppm2      8.379 CV     1
 ASSI { 2418}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      2.700     0.900     0.900 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.55524E-02 ppm1      7.350 ppm2      8.154 CV     1
 ASSI { 2436}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      5.400     3.600     0.600 peak  2436 spectrum    1 weight  0.61815E+00 volume  0.37737E-03 ppm1      7.141 ppm2      7.576 CV     1
 ASSI { 2441}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.67536E-02 ppm1      6.544 ppm2      7.726 CV     1
 ASSI { 2450}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      3.400     1.400     1.400 peak  2450 spectrum    1 weight  0.71223E+00 volume  0.14548E-02 ppm1      6.540 ppm2      3.130 CV     1
 ASSI { 2456}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     6.000     0.000 peak  2456 spectrum    1 weight  0.57195E+00 volume  0.15512E-03 ppm1      6.550 ppm2      3.310 CV     1
 OR { 2456}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 2457}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     5.600     0.000 peak  2457 spectrum    1 weight  0.55989E+00 volume  0.31958E-03 ppm1      6.541 ppm2      0.483 CV     1
 ASSI { 2467}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak  2467 spectrum    1 weight  0.92308E+00 volume  0.31405E-01 ppm1      8.577 ppm2      3.918 CV     1
 ASSI { 2480}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.900     0.900 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.99473E-02 ppm1      8.591 ppm2      7.820 CV     1
 ASSI { 2482}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.800     2.900     1.200 peak  2482 spectrum    1 weight  0.74374E+00 volume  0.20656E-02 ppm1      8.588 ppm2      7.143 CV     1
 ASSI { 2485}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.400     1.400     1.400 peak  2485 spectrum    1 weight  0.92308E+00 volume  0.84284E-02 ppm1      8.588 ppm2      2.040 CV     1
 ASSI { 2494}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      5.600     4.000     0.400 peak  2494 spectrum    1 weight  0.68243E+00 volume  0.71696E-03 ppm1      8.054 ppm2      2.494 CV     1
 OR { 2494}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 2501}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      5.500     3.800     0.500 peak  2501 spectrum    1 weight  0.53810E+00 volume  0.12603E-02 ppm1      8.006 ppm2      1.001 CV     1
 ASSI { 2502}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.500     1.500     1.500 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.59935E-02 ppm1      7.987 ppm2      4.912 CV     1
 ASSI { 2503}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     5.000     0.000 peak  2503 spectrum    1 weight  0.60845E+00 volume  0.80375E-03 ppm1      7.987 ppm2      1.029 CV     1
 ASSI { 2504}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.600     0.900     0.900 peak  2504 spectrum    1 weight  0.95891E+00 volume  0.50225E-02 ppm1      7.984 ppm2      8.326 CV     1
 ASSI { 2508}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      3.900     1.900     1.900 peak  2508 spectrum    1 weight  0.82101E+00 volume  0.32816E-02 ppm1      7.984 ppm2      3.197 CV     1
 ASSI { 2509}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      2.600     0.900     0.900 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.58656E-02 ppm1      7.984 ppm2      2.892 CV     1
 ASSI { 2515}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.000     0.500     0.500 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.80566E-02 ppm1      8.049 ppm2      6.920 CV     1
 ASSI { 2519}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      2.500     0.800     0.800 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.10886E-01 ppm1      7.983 ppm2      7.082 CV     1
 ASSI { 2528}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak  2528 spectrum    1 weight  0.84104E+00 volume  0.35597E-02 ppm1      9.418 ppm2      8.889 CV     1
 ASSI { 2529}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak  2529 spectrum    1 weight  0.98916E+00 volume  0.53634E-02 ppm1      9.419 ppm2      8.201 CV     1
 ASSI { 2530}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak  2530 spectrum    1 weight  0.92308E+00 volume  0.22017E-01 ppm1      9.419 ppm2      4.697 CV     1
 ASSI { 2531}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.71355E-02 ppm1      9.419 ppm2      4.504 CV     1
 ASSI { 2535}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      5.300     3.400     0.700 peak  2535 spectrum    1 weight  0.67931E+00 volume  0.61901E-03 ppm1      9.417 ppm2      1.163 CV     1
 ASSI { 2565}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.400     0.700     0.700 peak  2565 spectrum    1 weight  0.92308E+00 volume  0.19520E-01 ppm1      7.887 ppm2      7.327 CV     1
 ASSI { 2568}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  2568 spectrum    1 weight  0.92308E+00 volume  0.56574E-02 ppm1      7.887 ppm2      4.224 CV     1
 ASSI { 2569}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      4.100     2.100     1.900 peak  2569 spectrum    1 weight  0.69063E+00 volume  0.94801E-03 ppm1      7.887 ppm2      3.786 CV     1
 ASSI { 2572}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      3.100     1.200     1.200 peak  2572 spectrum    1 weight  0.92308E+00 volume  0.94082E-02 ppm1      7.887 ppm2      1.838 CV     1
 ASSI { 2585}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      3.200     1.300     1.300 peak  2585 spectrum    1 weight  0.76661E+00 volume  0.24561E-02 ppm1      8.230 ppm2      7.679 CV     1
 ASSI { 2599}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.900     0.000 peak  2599 spectrum    1 weight  0.59108E+00 volume  0.13825E-03 ppm1      7.058 ppm2      8.283 CV     1
 ASSI { 2600}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      2.800     1.000     1.000 peak  2600 spectrum    1 weight  0.92308E+00 volume  0.64385E-02 ppm1      7.057 ppm2      7.764 CV     1
 ASSI { 2601}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HN  ))
      2.700     0.900     0.900 peak  2601 spectrum    1 weight  0.92308E+00 volume  0.70530E-02 ppm1      7.056 ppm2      7.671 CV     1
 ASSI { 2627}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      4.300     2.300     1.700 peak  2627 spectrum    1 weight  0.66277E+00 volume  0.19926E-02 ppm1      8.227 ppm2      4.563 CV     1
 ASSI { 2632}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.600     0.800     0.800 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.12026E-01 ppm1      8.059 ppm2      8.651 CV     1
 ASSI { 2636}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     6.000     0.000 peak  2636 spectrum    1 weight  0.53061E+00 volume  0.13156E-04 ppm1      8.059 ppm2      7.648 CV     1
 ASSI { 2637}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 151  and name HN  ))
      2.700     0.900     0.900 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.13144E-01 ppm1      8.060 ppm2      7.455 CV     1
 ASSI { 2643}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.100     1.200     1.200 peak  2643 spectrum    1 weight  0.92308E+00 volume  0.61495E-02 ppm1      8.060 ppm2      3.523 CV     1
 ASSI { 2666}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  2666 spectrum    1 weight  0.46263E+00 volume  0.21208E-03 ppm1      7.063 ppm2      8.423 CV     1
 ASSI { 2838}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      3.000     1.100     1.100 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.10638E-01 ppm1      7.661 ppm2      9.031 CV     1
 ASSI { 2839}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      4.100     2.100     1.900 peak  2839 spectrum    1 weight  0.74106E+00 volume  0.20173E-02 ppm1      7.659 ppm2      8.009 CV     1
 ASSI { 2842}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.300     0.700     0.700 peak  2842 spectrum    1 weight  0.86391E+00 volume  0.35510E-01 ppm1      7.661 ppm2      4.643 CV     1
 ASSI { 2849}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.500     0.800     0.800 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.14682E-01 ppm1      7.587 ppm2      7.922 CV     1
 ASSI { 2850}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.900     1.900     1.900 peak  2850 spectrum    1 weight  0.92308E+00 volume  0.62763E-02 ppm1      7.591 ppm2      7.726 CV     1
 ASSI { 2852}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     0.900     0.900 peak  2852 spectrum    1 weight  0.86391E+00 volume  0.20409E-01 ppm1      7.588 ppm2      4.315 CV     1
 OR { 2852}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI { 2854}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      4.100     2.200     1.900 peak  2854 spectrum    1 weight  0.73611E+00 volume  0.31675E-02 ppm1      7.589 ppm2      3.598 CV     1
 ASSI { 2857}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.600     1.600     1.600 peak  2857 spectrum    1 weight  0.79635E+00 volume  0.39858E-02 ppm1      7.587 ppm2      3.048 CV     1
 ASSI { 2875}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      5.300     3.600     0.700 peak  2875 spectrum    1 weight  0.69847E+00 volume  0.11448E-02 ppm1      6.311 ppm2      0.309 CV     1
 ASSI { 2876}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.900     3.000     1.100 peak  2876 spectrum    1 weight  0.67651E+00 volume  0.52389E-03 ppm1      6.307 ppm2      7.411 CV     1
 ASSI { 2878}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      5.200     3.400     0.800 peak  2878 spectrum    1 weight  0.67438E+00 volume  0.44515E-03 ppm1      8.753 ppm2      9.104 CV     1
 ASSI { 2884}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 127  and name HE% )
      5.100     3.200     0.900 peak  2884 spectrum    1 weight  0.69793E+00 volume  0.11915E-02 ppm1      7.662 ppm2      7.029 CV     1
 OR { 2884}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
 ASSI { 2898}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.200     1.200     1.200 peak  2898 spectrum    1 weight  0.92308E+00 volume  0.15005E-01 ppm1      6.310 ppm2      0.857 CV     1
 OR { 2898}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
 ASSI { 2900}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.13920E-01 ppm1      6.309 ppm2      3.677 CV     1
 ASSI { 2906}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      5.400     3.600     0.600 peak  2906 spectrum    1 weight  0.67599E+00 volume  0.50517E-03 ppm1      8.750 ppm2      7.913 CV     1
 ASSI { 2907}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      2.500     0.800     0.800 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.13272E-01 ppm1      8.750 ppm2      6.969 CV     1
 ASSI { 2910}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
      3.800     1.800     1.800 peak  2910 spectrum    1 weight  0.75066E+00 volume  0.21873E-02 ppm1      8.749 ppm2      3.579 CV     1
 ASSI { 2912}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      6.000     5.100     0.000 peak  2912 spectrum    1 weight  0.67100E+00 volume  0.30324E-03 ppm1      8.747 ppm2      2.505 CV     1
 OR { 2912}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
 ASSI { 2920}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      5.400     3.600     0.600 peak  2920 spectrum    1 weight  0.61069E+00 volume  0.86659E-03 ppm1      8.748 ppm2      0.517 CV     1
 OR { 2920}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 145  and name HD1%)
 ASSI { 2988}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      2.700     0.900     0.900 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.10059E-01 ppm1      8.942 ppm2      5.300 CV     1
 ASSI { 2989}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak  2989 spectrum    1 weight  0.92308E+00 volume  0.99789E-02 ppm1      8.943 ppm2      4.806 CV     1
 ASSI { 2996}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.800     2.900     1.200 peak  2996 spectrum    1 weight  0.66436E+00 volume  0.20214E-02 ppm1      8.939 ppm2      8.739 CV     1
 ASSI { 2997}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  2997 spectrum    1 weight  0.67110E+00 volume  0.30785E-03 ppm1      8.937 ppm2      7.911 CV     1
 ASSI { 2998}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.800     2.900     1.200 peak  2998 spectrum    1 weight  0.67095E+00 volume  0.21387E-02 ppm1      8.940 ppm2      4.500 CV     1
 ASSI { 3008}
   (( segid "    " and resid 118  and name HD21))
   (( segid "    " and resid 90   and name HD22))
      4.400     2.400     1.600 peak  3008 spectrum    1 weight  0.68456E+00 volume  0.78025E-03 ppm1      7.332 ppm2      7.463 CV     1
 ASSI { 3070}
   (( segid "    " and resid 130  and name HD21))
   (( segid "    " and resid 124  and name HA  ))
      6.000     6.000     0.000 peak  3070 spectrum    1 weight  0.57348E+00 volume  0.73254E-04 ppm1      7.703 ppm2      4.696 CV     1
 ASSI { 3071}
   (( segid "    " and resid 130  and name HD21))
   (( segid "    " and resid 57   and name HD21))
      6.000     5.600     0.000 peak  3071 spectrum    1 weight  0.52875E+00 volume  0.30941E-03 ppm1      7.691 ppm2      7.563 CV     1
 ASSI { 3081}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 84   and name HN  ))
      6.000     6.000     0.000 peak  3081 spectrum    1 weight  0.40949E+00 volume  0.57903E-04 ppm1      6.946 ppm2      7.434 CV     1
 OR { 3081}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3093}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     6.000     0.000 peak  3093 spectrum    1 weight  0.44612E+00 volume  0.25733E-04 ppm1      8.515 ppm2      2.298 CV     1
 ASSI { 3095}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.66657E-02 ppm1      8.507 ppm2      8.223 CV     1
 ASSI { 3098}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      1.900     0.400     0.400 peak  3098 spectrum    1 weight  0.92308E+00 volume  0.25899E-01 ppm1      8.507 ppm2      3.922 CV     1
 ASSI { 3107}
   (( segid "    " and resid 144  and name HD22))
   (( segid "    " and resid 114  and name HA  ))
      4.400     2.400     1.600 peak  3107 spectrum    1 weight  0.67103E+00 volume  0.30446E-03 ppm1      8.017 ppm2      4.955 CV     1
 ASSI { 3113}
   (( segid "    " and resid 38   and name HD21))
   (  segid "    " and resid 5    and name HD2%)
      4.900     3.000     1.100 peak  3113 spectrum    1 weight  0.77043E+00 volume  0.27313E-02 ppm1      7.609 ppm2      0.563 CV     1
 OR { 3113}
   (( segid "    " and resid 38   and name HD21))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 3117}
   (( segid "    " and resid 38   and name HD21))
   (  segid "    " and resid 78   and name HD2%)
      4.200     2.300     1.800 peak  3117 spectrum    1 weight  0.76765E+00 volume  0.24732E-02 ppm1      7.607 ppm2      0.783 CV     1
 OR { 3117}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 3118}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.13268E-01 ppm1      7.407 ppm2      8.971 CV     1
 ASSI { 3120}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak  3120 spectrum    1 weight  0.70972E+00 volume  0.14009E-02 ppm1      7.408 ppm2      8.373 CV     1
 ASSI { 3137}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      4.700     2.800     1.300 peak  3137 spectrum    1 weight  0.71123E+00 volume  0.14335E-02 ppm1      7.408 ppm2      0.216 CV     1
 ASSI { 3138}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 63   and name HD22))
      5.000     3.200     1.000 peak  3138 spectrum    1 weight  0.68260E+00 volume  0.72222E-03 ppm1      7.274 ppm2      7.412 CV     1
 ASSI { 3139}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 57   and name HD21))
      5.700     4.000     0.300 peak  3139 spectrum    1 weight  0.67247E+00 volume  0.36835E-03 ppm1      7.268 ppm2      7.570 CV     1
 ASSI { 3141}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     5.200     0.000 peak  3141 spectrum    1 weight  0.59066E+00 volume  0.10798E-03 ppm1      7.083 ppm2      8.326 CV     1
 ASSI { 3142}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      2.400     0.700     0.700 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.11772E-01 ppm1      7.082 ppm2      8.004 CV     1
 OR { 3142}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
 ASSI { 3148}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      5.300     3.500     0.700 peak  3148 spectrum    1 weight  0.67158E+00 volume  0.32967E-03 ppm1      7.080 ppm2      4.696 CV     1
 ASSI { 3149}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      6.000     6.000     0.000 peak  3149 spectrum    1 weight  0.59004E+00 volume  0.51148E-04 ppm1      7.078 ppm2      3.644 CV     1
 ASSI { 3156}
   (( segid "    " and resid 38   and name HD22))
   (  segid "    " and resid 5    and name HD2%)
      4.000     2.000     2.000 peak  3156 spectrum    1 weight  0.73295E+00 volume  0.20315E-02 ppm1      6.951 ppm2      0.573 CV     1
 OR { 3156}
   (( segid "    " and resid 38   and name HD22))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 3174}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.800     2.900     1.200 peak  3174 spectrum    1 weight  0.68730E+00 volume  0.85785E-03 ppm1      7.076 ppm2      3.365 CV     1
 ASSI { 3183}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 84   and name HN  ))
      6.000     6.000     0.000 peak  3183 spectrum    1 weight  0.49362E+00 volume  0.21783E-03 ppm1      6.948 ppm2      7.440 CV     1
 OR { 3183}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3188}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      5.700     4.100     0.300 peak  3188 spectrum    1 weight  0.68418E+00 volume  0.76909E-03 ppm1      8.338 ppm2      1.051 CV     1
 ASSI { 3191}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      2.500     0.800     0.800 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.66002E-02 ppm1      8.336 ppm2      7.992 CV     1
 ASSI { 3192}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      2.500     0.800     0.800 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.56272E-02 ppm1      8.335 ppm2      7.730 CV     1
 ASSI { 3193}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HN  ))
      4.100     2.100     1.900 peak  3193 spectrum    1 weight  0.71193E+00 volume  0.14485E-02 ppm1      8.335 ppm2      7.084 CV     1
 ASSI { 3194}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.300     0.700     0.700 peak  3194 spectrum    1 weight  0.91914E+00 volume  0.45558E-02 ppm1      8.335 ppm2      4.916 CV     1
 ASSI { 3200}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.000     2.000     2.000 peak  3200 spectrum    1 weight  0.67090E+00 volume  0.18043E-02 ppm1      8.340 ppm2      4.690 CV     1
 ASSI { 3298}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      2.700     0.900     0.900 peak  3298 spectrum    1 weight  0.94866E+00 volume  0.49043E-02 ppm1      7.674 ppm2      8.706 CV     1
 ASSI { 3302}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      5.100     3.200     0.900 peak  3302 spectrum    1 weight  0.68094E+00 volume  0.67099E-03 ppm1      7.675 ppm2      4.553 CV     1
 ASSI { 3342}
   (( segid "    " and resid 92   and name HD22))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     5.800     0.000 peak  3342 spectrum    1 weight  0.53088E+00 volume  0.52343E-04 ppm1      8.461 ppm2      1.688 CV     1
 ASSI { 3376}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.100     1.100 peak  3376 spectrum    1 weight  0.75909E+00 volume  0.48116E-02 ppm1      8.852 ppm2      5.427 CV     1
 ASSI { 3377}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      5.400     3.600     0.600 peak  3377 spectrum    1 weight  0.59239E+00 volume  0.21837E-03 ppm1      8.377 ppm2      7.414 CV     1
 ASSI { 3378}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.400     2.400     1.600 peak  3378 spectrum    1 weight  0.59602E+00 volume  0.38791E-03 ppm1      8.376 ppm2      5.029 CV     1
 ASSI { 3379}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     5.200     0.000 peak  3379 spectrum    1 weight  0.53179E+00 volume  0.13026E-03 ppm1      8.377 ppm2      9.069 CV     1
 ASSI { 3389}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.800     1.800     1.800 peak  3389 spectrum    1 weight  0.66738E+00 volume  0.30281E-02 ppm1      8.376 ppm2      0.223 CV     1
 ASSI { 3393}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.100     3.300     0.900 peak  3393 spectrum    1 weight  0.53404E+00 volume  0.26141E-03 ppm1      8.900 ppm2      7.350 CV     1
 ASSI { 3397}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.100     2.100     1.900 peak  3397 spectrum    1 weight  0.57195E+00 volume  0.13645E-02 ppm1      8.904 ppm2      2.132 CV     1
 ASSI { 3398}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      5.600     3.900     0.400 peak  3398 spectrum    1 weight  0.59573E+00 volume  0.37604E-03 ppm1      8.903 ppm2      1.683 CV     1
 ASSI { 3400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.900     1.900     1.900 peak  3400 spectrum    1 weight  0.53665E+00 volume  0.37990E-03 ppm1      7.582 ppm2      9.045 CV     1
 OR { 3400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 3405}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.600     1.600 peak  3405 spectrum    1 weight  0.63006E+00 volume  0.13409E-02 ppm1      8.725 ppm2      9.286 CV     1
 ASSI { 3406}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     6.000     0.000 peak  3406 spectrum    1 weight  0.59116E+00 volume  0.14383E-03 ppm1      8.721 ppm2      8.943 CV     1
 OR { 3406}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 3409}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  3409 spectrum    1 weight  0.82634E+00 volume  0.50628E-02 ppm1      8.726 ppm2      4.703 CV     1
 ASSI { 3419}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  3419 spectrum    1 weight  0.86391E+00 volume  0.84024E-02 ppm1      8.244 ppm2      4.413 CV     1
 ASSI { 3421}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.300     1.400     1.400 peak  3421 spectrum    1 weight  0.81839E+00 volume  0.66780E-02 ppm1      8.244 ppm2      2.500 CV     1
 ASSI { 3422}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.100     1.200     1.200 peak  3422 spectrum    1 weight  0.81839E+00 volume  0.81530E-02 ppm1      8.245 ppm2      2.331 CV     1
 ASSI { 3425}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  3425 spectrum    1 weight  0.92308E+00 volume  0.14207E-01 ppm1      8.842 ppm2      4.041 CV     1
 ASSI { 3431}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      3.000     1.100     1.100 peak  3431 spectrum    1 weight  0.83223E+00 volume  0.44349E-02 ppm1      8.202 ppm2      9.134 CV     1
 ASSI { 3432}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.400     0.700     0.700 peak  3432 spectrum    1 weight  0.92308E+00 volume  0.11375E-01 ppm1      8.201 ppm2      8.666 CV     1
 ASSI { 3434}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.900     3.000     1.100 peak  3434 spectrum    1 weight  0.60581E+00 volume  0.72602E-03 ppm1      8.201 ppm2      7.790 CV     1
 ASSI { 3440}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      4.600     2.600     1.400 peak  3440 spectrum    1 weight  0.61856E+00 volume  0.10720E-02 ppm1      8.199 ppm2      3.058 CV     1
 OR { 3440}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 3455}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      5.900     4.400     0.100 peak  3455 spectrum    1 weight  0.53640E+00 volume  0.36928E-03 ppm1     10.080 ppm2      7.418 CV     1
 ASSI { 3457}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      4.400     2.400     1.600 peak  3457 spectrum    1 weight  0.52763E+00 volume  0.10915E-02 ppm1      8.377 ppm2      0.444 CV     1
 ASSI { 3461}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak  3461 spectrum    1 weight  0.59054E+00 volume  0.97577E-04 ppm1      8.645 ppm2      8.377 CV     1
 ASSI { 3464}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     6.000     0.000 peak  3464 spectrum    1 weight  0.59068E+00 volume  0.10934E-03 ppm1      7.899 ppm2      7.364 CV     1
 ASSI { 3465}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 92   and name HD22))
      5.500     3.700     0.500 peak  3465 spectrum    1 weight  0.59126E+00 volume  0.15077E-03 ppm1      7.344 ppm2      8.426 CV     1
 ASSI { 3466}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 92   and name HD21))
      6.000     4.700     0.000 peak  3466 spectrum    1 weight  0.59072E+00 volume  0.11236E-03 ppm1      7.350 ppm2      5.872 CV     1
 ASSI { 3468}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG11))
      6.000     4.800     0.000 peak  3468 spectrum    1 weight  0.59108E+00 volume  0.13808E-03 ppm1      9.008 ppm2      0.513 CV     1
 ASSI { 3469}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     1.700 peak  3469 spectrum    1 weight  0.50890E+00 volume  0.10522E-02 ppm1      9.005 ppm2      8.858 CV     1
 ASSI { 3473}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      6.000     6.000     0.000 peak  3473 spectrum    1 weight  0.59063E+00 volume  0.10514E-03 ppm1      6.545 ppm2      0.118 CV     1
 ASSI { 3478}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      6.000     6.000     0.000 peak  3478 spectrum    1 weight  0.59089E+00 volume  0.12516E-03 ppm1      7.574 ppm2      0.115 CV     1
 ASSI { 3479}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      5.100     3.200     0.900 peak  3479 spectrum    1 weight  0.57488E+00 volume  0.22875E-02 ppm1      7.726 ppm2      2.496 CV     1
 OR { 3479}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
 OR { 3479}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 3481}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.700     0.000 peak  3481 spectrum    1 weight  0.60324E+00 volume  0.64641E-03 ppm1      8.145 ppm2      2.554 CV     1
 ASSI { 3483}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      6.000     6.000     0.000 peak  3483 spectrum    1 weight  0.55550E+00 volume  0.50322E-04 ppm1      8.602 ppm2      0.129 CV     1
 ASSI { 3493}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      5.500     3.800     0.500 peak  3493 spectrum    1 weight  0.59177E+00 volume  0.18235E-03 ppm1      7.546 ppm2      8.855 CV     1
 ASSI { 3499}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak  3499 spectrum    1 weight  0.64918E+00 volume  0.34188E-02 ppm1      8.242 ppm2      2.885 CV     1
 ASSI { 3519}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      6.000     6.000     0.000 peak  3519 spectrum    1 weight  0.58781E+00 volume  0.30402E-03 ppm1      8.731 ppm2      0.592 CV     1
 OR { 3519}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 3527}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     6.000     0.000 peak  3527 spectrum    1 weight  0.52398E+00 volume  0.16939E-03 ppm1      8.938 ppm2      5.478 CV     1
 ASSI { 3528}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.400     0.000 peak  3528 spectrum    1 weight  0.59178E+00 volume  0.18321E-03 ppm1      8.202 ppm2      6.931 CV     1
 ASSI { 3535}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.600     0.000 peak  3535 spectrum    1 weight  0.59070E+00 volume  0.11072E-03 ppm1      8.503 ppm2      6.938 CV     1
 ASSI { 3536}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.900     3.000     1.100 peak  3536 spectrum    1 weight  0.53067E+00 volume  0.13751E-02 ppm1      8.508 ppm2      4.799 CV     1
 OR { 3536}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 3541}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG1 ))
      4.800     2.900     1.200 peak  3541 spectrum    1 weight  0.54517E+00 volume  0.17502E-02 ppm1      8.245 ppm2      2.210 CV     1
 ASSI { 3548}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     6.000     0.000 peak  3548 spectrum    1 weight  0.59046E+00 volume  0.91022E-04 ppm1      8.052 ppm2      8.639 CV     1
 ASSI { 3549}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      5.600     3.900     0.400 peak  3549 spectrum    1 weight  0.59199E+00 volume  0.19546E-03 ppm1      7.796 ppm2     -0.730 CV     1
 ASSI { 3552}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     5.000     0.000 peak  3552 spectrum    1 weight  0.59096E+00 volume  0.13008E-03 ppm1      6.931 ppm2      8.306 CV     1
 ASSI { 3557}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HD21))
      6.000     6.000     0.000 peak  3557 spectrum    1 weight  0.59008E+00 volume  0.54877E-04 ppm1      7.926 ppm2      7.527 CV     1
 ASSI { 3559}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.900     0.000 peak  3559 spectrum    1 weight  0.59203E+00 volume  0.19810E-03 ppm1      8.847 ppm2      8.048 CV     1
 ASSI { 3560}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      5.800     4.200     0.200 peak  3560 spectrum    1 weight  0.59131E+00 volume  0.15405E-03 ppm1      8.158 ppm2      8.834 CV     1
 ASSI { 3569}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     6.000     0.000 peak  3569 spectrum    1 weight  0.52295E+00 volume  0.13045E-03 ppm1      8.909 ppm2      9.714 CV     1
 ASSI { 3571}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     6.000     0.000 peak  3571 spectrum    1 weight  0.59157E+00 volume  0.17011E-03 ppm1      9.284 ppm2      6.319 CV     1
 ASSI { 3573}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     6.000     0.000 peak  3573 spectrum    1 weight  0.59081E+00 volume  0.11908E-03 ppm1      6.317 ppm2      9.309 CV     1
 ASSI { 3575}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 100  and name HE% )
      4.300     2.300     1.700 peak  3575 spectrum    1 weight  0.55033E+00 volume  0.83349E-03 ppm1      9.466 ppm2      7.020 CV     1
 ASSI { 3581}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      6.000     6.000     0.000 peak  3581 spectrum    1 weight  0.59143E+00 volume  0.16151E-03 ppm1      7.510 ppm2      0.314 CV     1
 ASSI { 3582}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      5.000     3.100     1.000 peak  3582 spectrum    1 weight  0.58426E+00 volume  0.98603E-04 ppm1      8.517 ppm2      9.431 CV     1
 OR { 3582}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 3588}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak  3588 spectrum    1 weight  0.59011E+00 volume  0.58929E-04 ppm1      7.141 ppm2      8.327 CV     1
 ASSI { 3590}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak  3590 spectrum    1 weight  0.59253E+00 volume  0.22586E-03 ppm1      8.967 ppm2      5.425 CV     1
 ASSI { 3591}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 108  and name HD1%)
      6.000     6.000     0.000 peak  3591 spectrum    1 weight  0.53186E+00 volume  0.13500E-03 ppm1      7.409 ppm2      1.022 CV     1
 OR { 3591}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HG11))
 ASSI { 3593}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     5.100     0.000 peak  3593 spectrum    1 weight  0.59232E+00 volume  0.21439E-03 ppm1      7.409 ppm2     10.080 CV     1
 ASSI { 3599}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      6.000     5.300     0.000 peak  3599 spectrum    1 weight  0.53345E+00 volume  0.23059E-03 ppm1      7.526 ppm2      4.702 CV     1
 OR { 3599}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 3601}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      5.600     4.000     0.400 peak  3601 spectrum    1 weight  0.50496E+00 volume  0.83771E-03 ppm1      7.528 ppm2      5.300 CV     1
 ASSI { 3603}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.300     2.300     1.700 peak  3603 spectrum    1 weight  0.52920E+00 volume  0.14763E-02 ppm1      8.634 ppm2      5.278 CV     1
 OR { 3603}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 3604}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      5.400     3.700     0.600 peak  3604 spectrum    1 weight  0.61104E+00 volume  0.87613E-03 ppm1      8.618 ppm2      5.114 CV     1
 ASSI { 3607}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HD22))
      6.000     6.000     0.000 peak  3607 spectrum    1 weight  0.59095E+00 volume  0.12915E-03 ppm1      8.623 ppm2      7.435 CV     1
 ASSI { 3608}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      5.200     3.400     0.800 peak  3608 spectrum    1 weight  0.46250E+00 volume  0.13045E-02 ppm1      9.107 ppm2      3.327 CV     1
 OR { 3608}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
 ASSI { 3613}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 87   and name HG2%)
      6.000     6.000     0.000 peak  3613 spectrum    1 weight  0.59145E+00 volume  0.16275E-03 ppm1      8.042 ppm2      1.025 CV     1
 ASSI { 3617}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      6.000     6.000     0.000 peak  3617 spectrum    1 weight  0.53238E+00 volume  0.16933E-03 ppm1      7.858 ppm2      4.481 CV     1
 ASSI { 3619}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      6.000     5.700     0.000 peak  3619 spectrum    1 weight  0.53149E+00 volume  0.10806E-03 ppm1      7.890 ppm2      4.029 CV     1
 ASSI { 3622}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      4.100     2.100     1.900 peak  3622 spectrum    1 weight  0.53273E+00 volume  0.19044E-03 ppm1      7.341 ppm2      1.831 CV     1
 ASSI { 3633}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak  3633 spectrum    1 weight  0.71233E+00 volume  0.42475E-02 ppm1      9.130 ppm2      5.337 CV     1
 ASSI { 3638}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     6.000     0.000 peak  3638 spectrum    1 weight  0.58631E+00 volume  0.94571E-04 ppm1      7.672 ppm2      5.033 CV     1
 ASSI { 3648}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.800     1.800     1.800 peak  3648 spectrum    1 weight  0.65311E+00 volume  0.34732E-02 ppm1      7.660 ppm2      2.572 CV     1
 ASSI { 3650}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.400     2.400     1.600 peak  3650 spectrum    1 weight  0.59091E+00 volume  0.12615E-03 ppm1      8.023 ppm2      9.888 CV     1
 ASSI { 3653}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     6.000     0.000 peak  3653 spectrum    1 weight  0.59076E+00 volume  0.11528E-03 ppm1      8.034 ppm2      1.067 CV     1
 ASSI { 3654}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG1 ))
      6.000     5.300     0.000 peak  3654 spectrum    1 weight  0.53396E+00 volume  0.25733E-03 ppm1      8.036 ppm2      1.534 CV     1
 ASSI { 3655}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.700     0.000 peak  3655 spectrum    1 weight  0.59058E+00 volume  0.10151E-03 ppm1      8.034 ppm2      3.371 CV     1
 ASSI { 3656}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.700     0.000 peak  3656 spectrum    1 weight  0.59022E+00 volume  0.69182E-04 ppm1      8.036 ppm2      4.922 CV     1
 ASSI { 3658}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     6.000     0.000 peak  3658 spectrum    1 weight  0.53115E+00 volume  0.79517E-04 ppm1      7.081 ppm2     -0.011 CV     1
 ASSI { 3659}
   (( segid "    " and resid 127  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     5.400     0.000 peak  3659 spectrum    1 weight  0.59034E+00 volume  0.80989E-04 ppm1      7.083 ppm2      4.910 CV     1
 ASSI { 3660}
   (( segid "    " and resid 127  and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.800     2.800     1.200 peak  3660 spectrum    1 weight  0.41218E+00 volume  0.78353E-04 ppm1      7.074 ppm2      6.767 CV     1
 ASSI { 3661}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     6.000     0.000 peak  3661 spectrum    1 weight  0.59169E+00 volume  0.17793E-03 ppm1      8.334 ppm2     -0.034 CV     1
 ASSI { 3664}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     6.000     0.000 peak  3664 spectrum    1 weight  0.59055E+00 volume  0.99203E-04 ppm1      7.728 ppm2      8.765 CV     1
 ASSI { 3668}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     5.300     0.000 peak  3668 spectrum    1 weight  0.53738E+00 volume  0.40948E-03 ppm1      7.725 ppm2      3.904 CV     1
 ASSI { 3672}
   (( segid "    " and resid 133  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     6.000     0.000 peak  3672 spectrum    1 weight  0.58999E+00 volume  0.44377E-04 ppm1      7.654 ppm2      8.767 CV     1
 ASSI { 3675}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 137  and name HD1%)
      6.000     6.000     0.000 peak  3675 spectrum    1 weight  0.59085E+00 volume  0.12201E-03 ppm1      7.056 ppm2     -0.107 CV     1
 ASSI { 3677}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      5.400     3.700     0.600 peak  3677 spectrum    1 weight  0.51670E+00 volume  0.11411E-02 ppm1      7.056 ppm2      3.688 CV     1
 ASSI { 3678}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.600     0.000 peak  3678 spectrum    1 weight  0.59025E+00 volume  0.72803E-04 ppm1      7.055 ppm2      8.749 CV     1
 OR { 3678}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 3679}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 138  and name HN  ))
      6.000     5.100     0.000 peak  3679 spectrum    1 weight  0.50586E+00 volume  0.11074E-03 ppm1      7.774 ppm2      8.177 CV     1
 ASSI { 3681}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 137  and name HG11))
      6.000     6.000     0.000 peak  3681 spectrum    1 weight  0.59085E+00 volume  0.12181E-03 ppm1      8.384 ppm2      0.272 CV     1
 ASSI { 3683}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      5.900     4.400     0.100 peak  3683 spectrum    1 weight  0.59102E+00 volume  0.13427E-03 ppm1      8.384 ppm2      2.354 CV     1
 ASSI { 3693}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      4.600     2.700     1.400 peak  3693 spectrum    1 weight  0.59047E+00 volume  0.91991E-04 ppm1      8.727 ppm2      7.808 CV     1
 ASSI { 3695}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      5.600     4.000     0.400 peak  3695 spectrum    1 weight  0.53246E+00 volume  0.17433E-03 ppm1      6.410 ppm2      3.391 CV     1
 ASSI { 3697}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      5.400     3.700     0.600 peak  3697 spectrum    1 weight  0.53151E+00 volume  0.29051E-03 ppm1      8.753 ppm2      6.436 CV     1
 ASSI { 3702}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 115  and name HD2 ))
      5.200     3.300     0.800 peak  3702 spectrum    1 weight  0.53168E+00 volume  0.12196E-03 ppm1      8.748 ppm2      3.426 CV     1
 OR { 3702}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
 OR { 3702}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
 ASSI { 3707}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 146  and name HD2%)
      6.000     6.000     0.000 peak  3707 spectrum    1 weight  0.59004E+00 volume  0.50271E-04 ppm1      6.968 ppm2      0.505 CV     1
 OR { 3707}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 145  and name HD1%)
 ASSI { 3723}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     6.000     0.000 peak  3723 spectrum    1 weight  0.53107E+00 volume  0.71469E-04 ppm1      7.450 ppm2      3.049 CV     1
 OR { 3723}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
 ASSI { 3724}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     6.000     0.000 peak  3724 spectrum    1 weight  0.59015E+00 volume  0.62576E-04 ppm1      7.448 ppm2      9.132 CV     1
 ASSI { 3728}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     6.000     0.000 peak  3728 spectrum    1 weight  0.58998E+00 volume  0.44008E-04 ppm1      7.704 ppm2      9.131 CV     1
 ASSI { 3731}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     6.000     0.000 peak  3731 spectrum    1 weight  0.59002E+00 volume  0.48886E-04 ppm1      8.649 ppm2      7.882 CV     1
 ASSI { 3738}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      5.300     3.600     0.700 peak  3738 spectrum    1 weight  0.54130E+00 volume  0.55482E-03 ppm1      8.110 ppm2      3.066 CV     1
 OR { 3738}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
 ASSI { 3746}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HG1 ))
      6.000     6.000     0.000 peak  3746 spectrum    1 weight  0.53175E+00 volume  0.12750E-03 ppm1      8.339 ppm2      1.523 CV     1
 ASSI { 3750}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      5.200     3.400     0.800 peak  3750 spectrum    1 weight  0.60002E+00 volume  0.53902E-03 ppm1      6.643 ppm2      5.237 CV     1
 ASSI { 3754}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     6.000     0.000 peak  3754 spectrum    1 weight  0.59111E+00 volume  0.14076E-03 ppm1      9.144 ppm2      3.974 CV     1
 ASSI { 3755}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     5.000     0.000 peak  3755 spectrum    1 weight  0.59599E+00 volume  0.38695E-03 ppm1      9.140 ppm2      3.257 CV     1
 OR { 3755}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
 OR { 3755}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  16.792  -8.472  -6.460
    2   2H    MET   1          2HT       MET   1  17.723  -7.179  -5.893
    3   3H    MET   1          3HT       MET   1  18.029  -7.834  -7.422
    4    HA   MET   1           HA       MET   1  16.575  -5.644  -7.010
    5   1HB   MET   1          2HB       MET   1  16.724  -7.722  -9.140
    6   2HB   MET   1          1HB       MET   1  15.492  -6.478  -9.305
    7   1HG   MET   1          2HG       MET   1  16.975  -4.942  -9.915
    8   2HG   MET   1          1HG       MET   1  18.090  -5.383  -8.623
    9   1HE   MET   1          1HE       MET   1  20.697  -5.503 -10.512
   10   2HE   MET   1          2HE       MET   1  20.743  -7.148  -9.879
   11   3HE   MET   1          3HE       MET   1  20.043  -5.850  -8.912
   12    H    LYS   2           H        LYS   2  15.268  -6.302  -5.061
   13    HA   LYS   2           HA       LYS   2  12.797  -7.719  -5.701
   14   1HB   LYS   2          2HB       LYS   2  14.004  -8.239  -3.598
   15   2HB   LYS   2          1HB       LYS   2  13.744  -6.584  -3.062
   16   1HG   LYS   2          2HG       LYS   2  11.627  -6.982  -2.454
   17   2HG   LYS   2          1HG       LYS   2  11.305  -7.996  -3.862
   18   1HD   LYS   2          2HD       LYS   2  11.858  -9.903  -2.777
   19   2HD   LYS   2          1HD       LYS   2  13.149  -9.127  -1.857
   20   1HE   LYS   2          2HE       LYS   2  11.819  -8.789  -0.099
   21   2HE   LYS   2          1HE       LYS   2  10.529  -8.135  -1.108
   22   1HZ   LYS   2          1HZ       LYS   2   9.522 -10.001  -0.331
   23   2HZ   LYS   2          2HZ       LYS   2  10.962 -10.879  -0.190
   24   3HZ   LYS   2          3HZ       LYS   2  10.250 -10.663  -1.708
   25    H    LYS   3           H        LYS   3  11.034  -6.664  -6.320
   26    HA   LYS   3           HA       LYS   3  10.743  -3.838  -5.534
   27   1HB   LYS   3          2HB       LYS   3  10.562  -5.140  -8.158
   28   2HB   LYS   3          1HB       LYS   3   9.217  -4.069  -7.796
   29   1HG   LYS   3          2HG       LYS   3  11.408  -2.590  -7.041
   30   2HG   LYS   3          1HG       LYS   3  11.969  -3.445  -8.480
   31   1HD   LYS   3          2HD       LYS   3   9.912  -2.659  -9.656
   32   2HD   LYS   3          1HD       LYS   3   9.532  -1.685  -8.235
   33   1HE   LYS   3          2HE       LYS   3  10.687  -0.450 -10.084
   34   2HE   LYS   3          1HE       LYS   3  11.492  -0.366  -8.516
   35   1HZ   LYS   3          1HZ       LYS   3  12.893  -0.845 -10.590
   36   2HZ   LYS   3          2HZ       LYS   3  12.262  -2.413 -10.497
   37   3HZ   LYS   3          3HZ       LYS   3  13.166  -1.787  -9.211
   38    H    ILE   4           H        ILE   4   8.914  -3.259  -4.555
   39    HA   ILE   4           HA       ILE   4   6.732  -5.239  -4.410
   40    HB   ILE   4           HB       ILE   4   6.858  -3.136  -2.341
   41   1HG1  ILE   4          2HG1      ILE   4   9.255  -3.774  -2.618
   42   2HG1  ILE   4          1HG1      ILE   4   8.599  -4.189  -1.039
   43   1HG2  ILE   4          1HG2      ILE   4   5.969  -4.808  -0.952
   44   2HG2  ILE   4          2HG2      ILE   4   6.537  -6.102  -2.007
   45   3HG2  ILE   4          3HG2      ILE   4   5.212  -5.060  -2.524
   46   1HD1  ILE   4          1HD1      ILE   4   8.993  -6.099  -3.330
   47   2HD1  ILE   4          2HD1      ILE   4   8.370  -6.509  -1.732
   48   3HD1  ILE   4          3HD1      ILE   4  10.033  -5.948  -1.914
   49    H    LEU   5           H        LEU   5   5.029  -4.630  -5.586
   50    HA   LEU   5           HA       LEU   5   4.536  -1.778  -6.022
   51   1HB   LEU   5          2HB       LEU   5   4.295  -4.098  -7.643
   52   2HB   LEU   5          1HB       LEU   5   2.695  -3.410  -7.450
   53    HG   LEU   5           HG       LEU   5   5.102  -1.870  -8.424
   54   1HD1  LEU   5          1HD1      LEU   5   3.283  -2.049 -10.487
   55   2HD1  LEU   5          2HD1      LEU   5   3.286  -3.672  -9.794
   56   3HD1  LEU   5          3HD1      LEU   5   4.795  -2.948 -10.348
   57   1HD2  LEU   5          1HD2      LEU   5   2.265  -1.043  -8.810
   58   2HD2  LEU   5          2HD2      LEU   5   3.726  -0.058  -8.726
   59   3HD2  LEU   5          3HD2      LEU   5   3.042  -0.750  -7.255
   60    H    PHE   6           H        PHE   6   3.230  -0.857  -4.571
   61    HA   PHE   6           HA       PHE   6   1.055  -2.404  -3.372
   62   1HB   PHE   6          2HB       PHE   6   1.889   0.427  -2.705
   63   2HB   PHE   6          1HB       PHE   6   0.881  -0.645  -1.741
   64    HD1  PHE   6           1HD      PHE   6   4.273   0.269  -2.667
   65    HD2  PHE   6           2HD      PHE   6   1.890  -2.508  -0.490
   66    HE1  PHE   6           1HE      PHE   6   6.266  -0.470  -1.430
   67    HE2  PHE   6           2HE      PHE   6   3.880  -3.249   0.750
   68    HZ   PHE   6           HZ       PHE   6   6.073  -2.232   0.277
   69    H    ILE   7           H        ILE   7  -1.072  -2.029  -3.843
   70    HA   ILE   7           HA       ILE   7  -1.627   0.110  -5.798
   71    HB   ILE   7           HB       ILE   7  -3.205  -2.438  -5.453
   72   1HG1  ILE   7          2HG1      ILE   7  -1.406  -1.899  -7.789
   73   2HG1  ILE   7          1HG1      ILE   7  -0.727  -2.566  -6.307
   74   1HG2  ILE   7          1HG2      ILE   7  -4.703  -1.255  -6.616
   75   2HG2  ILE   7          2HG2      ILE   7  -3.622  -1.490  -7.989
   76   3HG2  ILE   7          3HG2      ILE   7  -3.528  -0.009  -7.036
   77   1HD1  ILE   7          1HD1      ILE   7  -2.448  -3.814  -8.333
   78   2HD1  ILE   7          2HD1      ILE   7  -2.817  -4.221  -6.657
   79   3HD1  ILE   7          3HD1      ILE   7  -1.203  -4.519  -7.302
   80    H    CYS   8           H        CYS   8  -2.966   1.673  -5.217
   81    HA   CYS   8           HA       CYS   8  -4.939   1.149  -3.108
   82   1HB   CYS   8          2HB       CYS   8  -3.358   3.707  -3.385
   83   2HB   CYS   8          1HB       CYS   8  -4.521   3.316  -2.121
   84    HG   CYS   8           HG       CYS   8  -1.333   2.234  -2.496
   85    H    LEU   9           H        LEU   9  -6.932   1.546  -3.727
   86    HA   LEU   9           HA       LEU   9  -7.772   2.288  -6.201
   87   1HB   LEU   9          2HB       LEU   9  -9.239   1.338  -4.492
   88   2HB   LEU   9          1HB       LEU   9  -9.186   2.843  -3.593
   89    HG   LEU   9           HG       LEU   9 -10.229   3.939  -5.646
   90   1HD1  LEU   9          1HD1      LEU   9 -11.081   2.702  -7.362
   91   2HD1  LEU   9          2HD1      LEU   9 -11.252   1.248  -6.379
   92   3HD1  LEU   9          3HD1      LEU   9  -9.663   1.730  -6.972
   93   1HD2  LEU   9          1HD2      LEU   9 -12.416   2.330  -4.962
   94   2HD2  LEU   9          2HD2      LEU   9 -11.959   3.881  -4.256
   95   3HD2  LEU   9          3HD2      LEU   9 -11.387   2.380  -3.529
   96    H    GLY  10           H        GLY  10  -7.848   4.530  -3.416
   97   1HA   GLY  10          2HA       GLY  10  -8.142   6.783  -5.208
   98   2HA   GLY  10          1HA       GLY  10  -8.095   6.845  -3.451
   99    H    ASN  11           H        ASN  11  -5.600   5.389  -3.222
  100    HA   ASN  11           HA       ASN  11  -3.397   5.879  -2.973
  101   1HB   ASN  11          2HB       ASN  11  -3.862   5.683  -5.644
  102   2HB   ASN  11          1HB       ASN  11  -3.156   7.293  -5.547
  103   1HD2  ASN  11          1HD2      ASN  11  -1.024   7.466  -5.448
  104   2HD2  ASN  11          2HD2      ASN  11   0.076   6.162  -5.168
  105    H    ILE  12           H        ILE  12  -5.540   7.995  -2.474
  106    HA   ILE  12           HA       ILE  12  -3.693  10.279  -2.217
  107    HB   ILE  12           HB       ILE  12  -5.623  11.788  -2.447
  108   1HG1  ILE  12          2HG1      ILE  12  -7.538  10.189  -3.731
  109   2HG1  ILE  12          1HG1      ILE  12  -7.079   9.288  -2.289
  110   1HG2  ILE  12          1HG2      ILE  12  -4.525  11.667  -4.453
  111   2HG2  ILE  12          2HG2      ILE  12  -6.127  11.110  -4.937
  112   3HG2  ILE  12          3HG2      ILE  12  -4.838   9.942  -4.646
  113   1HD1  ILE  12          1HD1      ILE  12  -7.591  11.250  -0.918
  114   2HD1  ILE  12          2HD1      ILE  12  -8.987  10.701  -1.845
  115   3HD1  ILE  12          3HD1      ILE  12  -8.083  12.123  -2.369
  116    H    CYS  13           H        CYS  13  -4.410   8.032  -0.417
  117    HA   CYS  13           HA       CYS  13  -5.001   9.648   1.917
  118   1HB   CYS  13          2HB       CYS  13  -6.597   7.358   2.287
  119   2HB   CYS  13          1HB       CYS  13  -7.136   9.022   2.092
  120    HG   CYS  13           HG       CYS  13  -8.576   7.270   0.385
  121    H    ARG  14           H        ARG  14  -5.318   6.150   1.618
  122    HA   ARG  14           HA       ARG  14  -3.442   5.715   3.720
  123   1HB   ARG  14          2HB       ARG  14  -4.875   3.998   3.875
  124   2HB   ARG  14          1HB       ARG  14  -5.383   4.159   2.201
  125   1HG   ARG  14          2HG       ARG  14  -2.714   2.997   2.542
  126   2HG   ARG  14          1HG       ARG  14  -4.026   2.042   3.235
  127   1HD   ARG  14          2HD       ARG  14  -3.977   3.098   0.412
  128   2HD   ARG  14          1HD       ARG  14  -3.509   1.464   0.877
  129    HE   ARG  14           HE       ARG  14  -6.204   2.424   1.517
  130   1HH1  ARG  14          1HH1      ARG  14  -4.099   0.298  -0.268
  131   2HH1  ARG  14          2HH1      ARG  14  -5.381  -0.749  -0.782
  132   1HH2  ARG  14          1HH2      ARG  14  -7.898   1.055   0.845
  133   2HH2  ARG  14          2HH2      ARG  14  -7.542  -0.318  -0.150
  134    H    SER  15           H        SER  15  -3.212   5.780   0.259
  135    HA   SER  15           HA       SER  15  -0.905   4.169  -0.028
  136   1HB   SER  15          2HB       SER  15  -1.650   4.425  -2.125
  137   2HB   SER  15          1HB       SER  15  -2.510   5.911  -1.722
  138    HG   SER  15           HG       SER  15   0.288   5.744  -2.162
  139    HA   PRO  16           HA       PRO  16   1.589   8.346  -0.056
  140   1HB   PRO  16          2HB       PRO  16  -0.153  10.191   1.443
  141   2HB   PRO  16          1HB       PRO  16   0.731  10.453  -0.064
  142   1HG   PRO  16          2HG       PRO  16  -1.934  10.211  -0.041
  143   2HG   PRO  16          1HG       PRO  16  -0.954   9.550  -1.365
  144   1HD   PRO  16          2HD       PRO  16  -2.178   8.132   0.976
  145   2HD   PRO  16          1HD       PRO  16  -2.123   7.644  -0.732
  146    H    MET  17           H        MET  17  -0.563   8.234   2.802
  147    HA   MET  17           HA       MET  17   1.361   8.919   4.697
  148   1HB   MET  17          2HB       MET  17  -1.002   8.882   5.253
  149   2HB   MET  17          1HB       MET  17  -1.067   7.144   4.998
  150   1HG   MET  17          2HG       MET  17  -0.088   6.670   6.988
  151   2HG   MET  17          1HG       MET  17   0.872   8.150   6.995
  152   1HE   MET  17          1HE       MET  17  -0.676   7.709  10.074
  153   2HE   MET  17          2HE       MET  17  -0.532   9.462   9.950
  154   3HE   MET  17          3HE       MET  17   0.691   8.423   9.219
  155    H    ALA  18           H        ALA  18   0.202   5.648   3.871
  156    HA   ALA  18           HA       ALA  18   2.117   4.273   5.389
  157   1HB   ALA  18          1HB       ALA  18   1.487   2.307   4.133
  158   2HB   ALA  18          2HB       ALA  18   0.735   3.305   2.889
  159   3HB   ALA  18          3HB       ALA  18   0.048   3.252   4.511
  160    H    GLU  19           H        GLU  19   2.286   5.743   2.234
  161    HA   GLU  19           HA       GLU  19   4.494   4.358   1.195
  162   1HB   GLU  19          2HB       GLU  19   2.976   6.040   0.001
  163   2HB   GLU  19          1HB       GLU  19   3.981   7.289   0.721
  164   1HG   GLU  19          2HG       GLU  19   4.933   7.019  -1.356
  165   2HG   GLU  19          1HG       GLU  19   5.943   5.991  -0.342
  166    H    PHE  20           H        PHE  20   4.277   7.219   3.266
  167    HA   PHE  20           HA       PHE  20   7.102   7.638   3.370
  168   1HB   PHE  20          2HB       PHE  20   5.653   9.510   3.780
  169   2HB   PHE  20          1HB       PHE  20   4.836   8.662   5.089
  170    HD1  PHE  20           1HD      PHE  20   8.285   9.727   4.131
  171    HD2  PHE  20           2HD      PHE  20   5.419   9.215   7.236
  172    HE1  PHE  20           1HE      PHE  20   9.864  10.705   5.745
  173    HE2  PHE  20           2HE      PHE  20   6.992  10.195   8.854
  174    HZ   PHE  20           HZ       PHE  20   9.218  10.941   8.110
  175    H    ILE  21           H        ILE  21   4.758   5.968   5.432
  176    HA   ILE  21           HA       ILE  21   6.452   5.455   7.611
  177    HB   ILE  21           HB       ILE  21   4.326   3.528   6.707
  178   1HG1  ILE  21          2HG1      ILE  21   3.418   5.825   6.564
  179   2HG1  ILE  21          1HG1      ILE  21   2.653   4.882   7.837
  180   1HG2  ILE  21          1HG2      ILE  21   5.372   2.658   8.576
  181   2HG2  ILE  21          2HG2      ILE  21   4.006   3.525   9.277
  182   3HG2  ILE  21          3HG2      ILE  21   5.615   4.244   9.308
  183   1HD1  ILE  21          1HD1      ILE  21   3.485   7.385   8.177
  184   2HD1  ILE  21          2HD1      ILE  21   4.968   6.538   8.622
  185   3HD1  ILE  21          3HD1      ILE  21   3.464   6.197   9.480
  186    H    MET  22           H        MET  22   5.593   3.311   4.895
  187    HA   MET  22           HA       MET  22   7.324   1.226   5.539
  188   1HB   MET  22          2HB       MET  22   6.448   2.075   2.772
  189   2HB   MET  22          1HB       MET  22   7.066   0.494   3.227
  190   1HG   MET  22          2HG       MET  22   5.078   0.457   4.878
  191   2HG   MET  22          1HG       MET  22   4.431   1.744   3.862
  192   1HE   MET  22          1HE       MET  22   3.291   0.786   0.995
  193   2HE   MET  22          2HE       MET  22   2.880   1.414   2.591
  194   3HE   MET  22          3HE       MET  22   2.204  -0.121   2.048
  195    H    LYS  23           H        LYS  23   7.826   3.929   3.279
  196    HA   LYS  23           HA       LYS  23  10.374   3.325   2.415
  197   1HB   LYS  23          2HB       LYS  23   8.866   5.188   1.612
  198   2HB   LYS  23          1HB       LYS  23   9.415   6.126   2.993
  199   1HG   LYS  23          2HG       LYS  23  11.446   6.527   2.092
  200   2HG   LYS  23          1HG       LYS  23  11.516   4.963   1.275
  201   1HD   LYS  23          2HD       LYS  23  11.345   6.600  -0.430
  202   2HD   LYS  23          1HD       LYS  23   9.755   5.844  -0.304
  203   1HE   LYS  23          2HE       LYS  23   8.836   7.701   0.795
  204   2HE   LYS  23          1HE       LYS  23  10.423   8.362   1.190
  205   1HZ   LYS  23          1HZ       LYS  23   9.123   9.441  -0.695
  206   2HZ   LYS  23          2HZ       LYS  23   9.530   8.080  -1.612
  207   3HZ   LYS  23          3HZ       LYS  23  10.749   9.072  -0.988
  208    H    ASP  24           H        ASP  24   9.377   4.786   5.443
  209    HA   ASP  24           HA       ASP  24  11.966   5.645   6.243
  210   1HB   ASP  24          2HB       ASP  24   9.736   6.470   7.131
  211   2HB   ASP  24          1HB       ASP  24   9.670   4.992   8.086
  212    H    LEU  25           H        LEU  25   9.978   2.925   7.428
  213    HA   LEU  25           HA       LEU  25  12.027   1.799   8.996
  214   1HB   LEU  25          2HB       LEU  25   9.296   1.153   8.264
  215   2HB   LEU  25          1HB       LEU  25  10.294  -0.280   8.423
  216    HG   LEU  25           HG       LEU  25  10.703   1.554  10.636
  217   1HD1  LEU  25          1HD1      LEU  25   7.911   0.668   9.991
  218   2HD1  LEU  25          2HD1      LEU  25   8.485   2.268  10.459
  219   3HD1  LEU  25          3HD1      LEU  25   8.434   0.968  11.648
  220   1HD2  LEU  25          1HD2      LEU  25   9.489  -1.102  11.033
  221   2HD2  LEU  25          2HD2      LEU  25  10.902  -0.369  11.795
  222   3HD2  LEU  25          3HD2      LEU  25  11.036  -1.079  10.186
  223    H    VAL  26           H        VAL  26  11.093   1.175   5.639
  224    HA   VAL  26           HA       VAL  26  12.398  -1.250   5.253
  225    HB   VAL  26           HB       VAL  26  12.602  -0.623   2.860
  226   1HG1  VAL  26          1HG1      VAL  26  10.034  -0.056   2.661
  227   2HG1  VAL  26          2HG1      VAL  26  10.061  -0.431   4.383
  228   3HG1  VAL  26          3HG1      VAL  26  10.591  -1.636   3.210
  229   1HG2  VAL  26          1HG2      VAL  26  11.363   1.572   2.285
  230   2HG2  VAL  26          2HG2      VAL  26  13.055   1.642   2.779
  231   3HG2  VAL  26          3HG2      VAL  26  11.781   2.043   3.933
  232    H    LYS  27           H        LYS  27  13.723   1.982   5.416
  233    HA   LYS  27           HA       LYS  27  16.177   1.660   4.203
  234   1HB   LYS  27          2HB       LYS  27  15.370   3.797   5.077
  235   2HB   LYS  27          1HB       LYS  27  15.537   3.205   6.723
  236   1HG   LYS  27          2HG       LYS  27  18.025   2.857   6.068
  237   2HG   LYS  27          1HG       LYS  27  17.651   4.000   4.775
  238   1HD   LYS  27          2HD       LYS  27  17.945   5.662   6.223
  239   2HD   LYS  27          1HD       LYS  27  16.545   5.076   7.123
  240   1HE   LYS  27          2HE       LYS  27  17.981   3.623   8.442
  241   2HE   LYS  27          1HE       LYS  27  19.388   4.148   7.517
  242   1HZ   LYS  27          1HZ       LYS  27  18.690   6.479   8.309
  243   2HZ   LYS  27          2HZ       LYS  27  19.482   5.456   9.398
  244   3HZ   LYS  27          3HZ       LYS  27  17.805   5.655   9.492
  245    H    LYS  28           H        LYS  28  15.044   0.344   7.203
  246    HA   LYS  28           HA       LYS  28  17.536  -0.220   8.400
  247   1HB   LYS  28          2HB       LYS  28  15.606  -0.202   9.777
  248   2HB   LYS  28          1HB       LYS  28  14.784  -1.382   8.767
  249   1HG   LYS  28          2HG       LYS  28  17.309  -2.348   9.866
  250   2HG   LYS  28          1HG       LYS  28  16.113  -1.922  11.092
  251   1HD   LYS  28          2HD       LYS  28  14.496  -3.289   9.542
  252   2HD   LYS  28          1HD       LYS  28  15.998  -4.014   8.967
  253   1HE   LYS  28          2HE       LYS  28  15.617  -5.442  10.677
  254   2HE   LYS  28          1HE       LYS  28  16.414  -4.174  11.608
  255   1HZ   LYS  28          1HZ       LYS  28  13.484  -4.186  11.237
  256   2HZ   LYS  28          2HZ       LYS  28  14.395  -3.403  12.426
  257   3HZ   LYS  28          3HZ       LYS  28  14.213  -5.083  12.474
  258    H    ALA  29           H        ALA  29  15.328  -2.404   6.587
  259    HA   ALA  29           HA       ALA  29  17.687  -4.076   6.019
  260   1HB   ALA  29          1HB       ALA  29  16.409  -6.085   6.375
  261   2HB   ALA  29          2HB       ALA  29  14.962  -5.140   6.721
  262   3HB   ALA  29          3HB       ALA  29  16.340  -5.074   7.818
  263    H    ASN  30           H        ASN  30  16.224  -2.087   4.332
  264    HA   ASN  30           HA       ASN  30  15.675  -3.916   2.097
  265   1HB   ASN  30          2HB       ASN  30  13.959  -1.673   3.090
  266   2HB   ASN  30          1HB       ASN  30  13.986  -2.039   1.369
  267   1HD2  ASN  30          1HD2      ASN  30  11.688  -2.461   1.815
  268   2HD2  ASN  30          2HD2      ASN  30  11.236  -4.043   2.343
  269    H    LEU  31           H        LEU  31  16.103  -0.449   2.849
  270    HA   LEU  31           HA       LEU  31  17.136   0.250   0.324
  271   1HB   LEU  31          2HB       LEU  31  16.337   1.970   1.798
  272   2HB   LEU  31          1HB       LEU  31  17.487   1.516   3.042
  273    HG   LEU  31           HG       LEU  31  19.269   2.151   1.225
  274   1HD1  LEU  31          1HD1      LEU  31  18.588   3.861  -0.299
  275   2HD1  LEU  31          2HD1      LEU  31  16.950   3.863   0.353
  276   3HD1  LEU  31          3HD1      LEU  31  17.540   2.462  -0.541
  277   1HD2  LEU  31          1HD2      LEU  31  17.682   4.290   2.638
  278   2HD2  LEU  31          2HD2      LEU  31  19.365   4.383   2.121
  279   3HD2  LEU  31          3HD2      LEU  31  18.897   3.266   3.403
  280    H    GLU  32           H        GLU  32  18.513  -1.302   3.060
  281    HA   GLU  32           HA       GLU  32  21.247  -0.785   2.587
  282   1HB   GLU  32          2HB       GLU  32  20.024  -3.231   3.872
  283   2HB   GLU  32          1HB       GLU  32  21.667  -2.642   4.086
  284   1HG   GLU  32          2HG       GLU  32  19.883  -0.538   4.754
  285   2HG   GLU  32          1HG       GLU  32  19.346  -2.001   5.577
  286    H    LYS  33           H        LYS  33  19.134  -3.484   1.651
  287    HA   LYS  33           HA       LYS  33  21.221  -4.605  -0.037
  288   1HB   LYS  33          2HB       LYS  33  18.587  -5.521   0.986
  289   2HB   LYS  33          1HB       LYS  33  19.110  -6.172  -0.562
  290   1HG   LYS  33          2HG       LYS  33  20.679  -7.466   0.371
  291   2HG   LYS  33          1HG       LYS  33  21.157  -6.226   1.533
  292   1HD   LYS  33          2HD       LYS  33  19.283  -6.758   2.946
  293   2HD   LYS  33          1HD       LYS  33  18.649  -7.885   1.747
  294   1HE   LYS  33          2HE       LYS  33  20.554  -9.337   2.040
  295   2HE   LYS  33          1HE       LYS  33  21.313  -8.175   3.128
  296   1HZ   LYS  33          1HZ       LYS  33  19.594  -8.532   4.730
  297   2HZ   LYS  33          2HZ       LYS  33  20.212 -10.042   4.280
  298   3HZ   LYS  33          3HZ       LYS  33  18.723  -9.522   3.669
  299    H    GLU  34           H        GLU  34  19.488  -2.036  -0.422
  300    HA   GLU  34           HA       GLU  34  18.756  -0.804  -2.173
  301   1HB   GLU  34          2HB       GLU  34  20.818  -2.301  -3.183
  302   2HB   GLU  34          1HB       GLU  34  19.509  -2.680  -4.294
  303   1HG   GLU  34          2HG       GLU  34  19.486  -0.618  -5.186
  304   2HG   GLU  34          1HG       GLU  34  19.839   0.168  -3.650
  305    H    PHE  35           H        PHE  35  16.634  -1.540  -1.285
  306    HA   PHE  35           HA       PHE  35  15.189  -3.311  -3.129
  307   1HB   PHE  35          2HB       PHE  35  14.777  -2.483  -0.293
  308   2HB   PHE  35          1HB       PHE  35  13.352  -2.863  -1.253
  309    HD1  PHE  35           1HD      PHE  35  12.644  -4.830  -0.195
  310    HD2  PHE  35           2HD      PHE  35  16.671  -4.489  -1.531
  311    HE1  PHE  35           1HE      PHE  35  12.986  -7.228   0.236
  312    HE2  PHE  35           2HE      PHE  35  17.019  -6.887  -1.105
  313    HZ   PHE  35           HZ       PHE  35  15.176  -8.260  -0.220
  314    H    PHE  36           H        PHE  36  13.048  -2.634  -3.883
  315    HA   PHE  36           HA       PHE  36  12.766   0.293  -4.030
  316   1HB   PHE  36          2HB       PHE  36  12.399  -1.656  -6.312
  317   2HB   PHE  36          1HB       PHE  36  12.075   0.072  -6.387
  318    HD1  PHE  36           1HD      PHE  36  14.423  -2.415  -7.076
  319    HD2  PHE  36           2HD      PHE  36  14.118   1.586  -5.662
  320    HE1  PHE  36           1HE      PHE  36  16.762  -2.011  -7.727
  321    HE2  PHE  36           2HE      PHE  36  16.453   1.998  -6.310
  322    HZ   PHE  36           HZ       PHE  36  17.780   0.199  -7.345
  323    H    ILE  37           H        ILE  37  10.728   1.123  -3.983
  324    HA   ILE  37           HA       ILE  37   8.465  -0.750  -3.889
  325    HB   ILE  37           HB       ILE  37   7.506   0.783  -2.060
  326   1HG1  ILE  37          2HG1      ILE  37  10.151   1.269  -0.956
  327   2HG1  ILE  37          1HG1      ILE  37   9.917   2.125  -2.477
  328   1HG2  ILE  37          1HG2      ILE  37   8.223  -1.567  -1.753
  329   2HG2  ILE  37          2HG2      ILE  37   8.453  -0.576  -0.314
  330   3HG2  ILE  37          3HG2      ILE  37   9.834  -0.988  -1.330
  331   1HD1  ILE  37          1HD1      ILE  37   8.361   2.374   0.069
  332   2HD1  ILE  37          2HD1      ILE  37   7.731   2.957  -1.471
  333   3HD1  ILE  37          3HD1      ILE  37   9.232   3.621  -0.825
  334    H    ASN  38           H        ASN  38   6.562   0.017  -4.761
  335    HA   ASN  38           HA       ASN  38   6.437   2.818  -5.596
  336   1HB   ASN  38          2HB       ASN  38   5.414   1.300  -7.767
  337   2HB   ASN  38          1HB       ASN  38   6.813   2.371  -7.754
  338   1HD2  ASN  38          1HD2      ASN  38   5.897  -0.902  -6.739
  339   2HD2  ASN  38          2HD2      ASN  38   7.366  -1.655  -7.248
  340    H    SER  39           H        SER  39   4.454   3.678  -5.434
  341    HA   SER  39           HA       SER  39   2.199   1.839  -4.957
  342   1HB   SER  39          2HB       SER  39   2.959   3.252  -2.988
  343   2HB   SER  39          1HB       SER  39   2.415   4.662  -3.898
  344    HG   SER  39           HG       SER  39   0.957   3.195  -2.352
  345    H    ALA  40           H        ALA  40   0.581   1.929  -6.382
  346    HA   ALA  40           HA       ALA  40   0.074   4.424  -7.829
  347   1HB   ALA  40          1HB       ALA  40  -0.200   2.173  -9.614
  348   2HB   ALA  40          2HB       ALA  40   1.445   2.298  -8.989
  349   3HB   ALA  40          3HB       ALA  40   0.711   3.669  -9.821
  350    H    GLY  41           H        GLY  41  -2.010   4.419  -8.978
  351   1HA   GLY  41          2HA       GLY  41  -4.031   3.129  -7.343
  352   2HA   GLY  41          1HA       GLY  41  -4.311   4.341  -8.585
  353    H    THR  42           H        THR  42  -6.121   2.655  -8.884
  354    HA   THR  42           HA       THR  42  -5.390   0.227 -10.236
  355    HB   THR  42           HB       THR  42  -7.389   0.024  -9.039
  356    HG1  THR  42           1HG      THR  42  -8.760  -0.623 -10.617
  357   1HG2  THR  42          1HG2      THR  42  -7.651   2.670  -9.164
  358   2HG2  THR  42          2HG2      THR  42  -9.005   1.613  -8.765
  359   3HG2  THR  42          3HG2      THR  42  -8.826   2.236 -10.405
  360    H    SER  43           H        SER  43  -6.875   3.306 -11.239
  361    HA   SER  43           HA       SER  43  -6.146   2.622 -14.011
  362   1HB   SER  43          2HB       SER  43  -8.453   4.441 -13.417
  363   2HB   SER  43          1HB       SER  43  -8.155   3.445 -14.841
  364    HG   SER  43           HG       SER  43  -9.757   2.815 -12.992
  365    H    GLY  44           H        GLY  44  -5.214   4.466 -11.570
  366   1HA   GLY  44          2HA       GLY  44  -4.120   6.468 -11.345
  367   2HA   GLY  44          1HA       GLY  44  -3.649   6.213 -13.018
  368    H    GLU  45           H        GLU  45  -7.018   6.576 -12.191
  369    HA   GLU  45           HA       GLU  45  -7.454   8.661 -13.999
  370   1HB   GLU  45          2HB       GLU  45  -9.082   7.963 -11.546
  371   2HB   GLU  45          1HB       GLU  45  -9.634   8.941 -12.899
  372   1HG   GLU  45          2HG       GLU  45  -9.697   7.110 -14.348
  373   2HG   GLU  45          1HG       GLU  45  -8.694   6.123 -13.286
  374    H    HIS  46           H        HIS  46  -6.969   8.721 -10.501
  375    HA   HIS  46           HA       HIS  46  -6.000  11.461 -10.683
  376   1HB   HIS  46          2HB       HIS  46  -7.375  12.174  -8.745
  377   2HB   HIS  46          1HB       HIS  46  -8.353  11.785 -10.155
  378    HD1  HIS  46           1HD      HIS  46  -7.606  10.659  -6.679
  379    HD2  HIS  46           2HD      HIS  46 -10.003   9.528  -9.877
  380    HE1  HIS  46           1HE      HIS  46  -9.226   8.981  -5.743
  381    HE2  HIS  46           2HE      HIS  46 -10.594   8.230  -7.720
  382    H    ASP  47           H        ASP  47  -6.138   8.374  -9.266
  383    HA   ASP  47           HA       ASP  47  -5.030   8.526  -6.795
  384   1HB   ASP  47          2HB       ASP  47  -3.745   6.528  -8.569
  385   2HB   ASP  47          1HB       ASP  47  -4.557   6.304  -7.021
  386    H    GLY  48           H        GLY  48  -3.523  10.020  -6.255
  387   1HA   GLY  48          2HA       GLY  48  -0.847   9.644  -6.559
  388   2HA   GLY  48          1HA       GLY  48  -1.281  10.600  -7.965
  389    H    GLU  49           H        GLU  49  -3.429  11.973  -6.367
  390    HA   GLU  49           HA       GLU  49  -2.073  14.282  -5.683
  391   1HB   GLU  49          2HB       GLU  49  -4.623  13.383  -4.342
  392   2HB   GLU  49          1HB       GLU  49  -4.082  15.032  -4.620
  393   1HG   GLU  49          2HG       GLU  49  -4.426  14.817  -6.976
  394   2HG   GLU  49          1HG       GLU  49  -4.765  13.094  -6.816
  395    H    GLY  50           H        GLY  50  -3.629  12.232  -3.216
  396   1HA   GLY  50          2HA       GLY  50  -2.541  11.292  -1.334
  397   2HA   GLY  50          1HA       GLY  50  -1.184  12.370  -1.613
  398    H    MET  51           H        MET  51  -4.660  12.551  -0.812
  399    HA   MET  51           HA       MET  51  -4.144  13.983   1.581
  400   1HB   MET  51          2HB       MET  51  -5.364  16.086   0.861
  401   2HB   MET  51          1HB       MET  51  -3.729  15.887   0.244
  402   1HG   MET  51          2HG       MET  51  -4.577  15.178  -1.896
  403   2HG   MET  51          1HG       MET  51  -6.232  15.226  -1.292
  404   1HE   MET  51          1HE       MET  51  -3.864  18.474  -3.202
  405   2HE   MET  51          2HE       MET  51  -3.499  16.759  -3.012
  406   3HE   MET  51          3HE       MET  51  -3.050  17.901  -1.746
  407    H    HIS  52           H        HIS  52  -5.693  13.426   2.936
  408    HA   HIS  52           HA       HIS  52  -8.467  13.371   2.093
  409   1HB   HIS  52          2HB       HIS  52  -7.127  11.001   1.941
  410   2HB   HIS  52          1HB       HIS  52  -7.740  10.937   3.590
  411    HD1  HIS  52           1HD      HIS  52 -10.216  12.803   1.984
  412    HD2  HIS  52           2HD      HIS  52  -9.155   8.789   1.852
  413    HE1  HIS  52           1HE      HIS  52 -12.249  11.599   1.125
  414    HE2  HIS  52           2HE      HIS  52 -11.544   9.187   0.946
  415    H    TYR  53           H        TYR  53  -9.938  13.465   3.831
  416    HA   TYR  53           HA       TYR  53  -9.250  15.041   5.963
  417   1HB   TYR  53          2HB       TYR  53 -11.486  13.021   6.076
  418   2HB   TYR  53          1HB       TYR  53 -11.400  14.587   6.879
  419    HD1  TYR  53           1HD      TYR  53 -13.334  13.147   4.669
  420    HD2  TYR  53           2HD      TYR  53 -10.536  16.352   4.694
  421    HE1  TYR  53           1HE      TYR  53 -14.505  14.177   2.768
  422    HE2  TYR  53           2HE      TYR  53 -11.701  17.393   2.795
  423    HH   TYR  53           HH       TYR  53 -13.330  16.267   0.797
  424    H    GLY  54           H        GLY  54  -9.862  11.535   6.169
  425   1HA   GLY  54          2HA       GLY  54  -9.124  11.271   8.857
  426   2HA   GLY  54          1HA       GLY  54  -9.188   9.966   7.689
  427    H    THR  55           H        THR  55  -7.173  10.435   5.974
  428    HA   THR  55           HA       THR  55  -4.922   9.642   7.461
  429    HB   THR  55           HB       THR  55  -4.292  10.723   4.817
  430    HG1  THR  55           1HG      THR  55  -5.752   9.624   3.681
  431   1HG2  THR  55          1HG2      THR  55  -3.655   8.481   6.528
  432   2HG2  THR  55          2HG2      THR  55  -2.743   9.159   5.179
  433   3HG2  THR  55          3HG2      THR  55  -3.995   7.952   4.880
  434    H    LYS  56           H        LYS  56  -5.521  12.720   5.732
  435    HA   LYS  56           HA       LYS  56  -3.097  13.942   6.376
  436   1HB   LYS  56          2HB       LYS  56  -5.605  14.750   5.222
  437   2HB   LYS  56          1HB       LYS  56  -5.044  15.982   6.343
  438   1HG   LYS  56          2HG       LYS  56  -2.774  15.333   4.923
  439   2HG   LYS  56          1HG       LYS  56  -4.055  15.269   3.711
  440   1HD   LYS  56          2HD       LYS  56  -3.979  17.578   5.591
  441   2HD   LYS  56          1HD       LYS  56  -2.810  17.524   4.269
  442   1HE   LYS  56          2HE       LYS  56  -4.445  17.672   2.643
  443   2HE   LYS  56          1HE       LYS  56  -5.703  17.042   3.705
  444   1HZ   LYS  56          1HZ       LYS  56  -4.478  19.743   3.805
  445   2HZ   LYS  56          2HZ       LYS  56  -5.551  19.146   4.969
  446   3HZ   LYS  56          3HZ       LYS  56  -6.069  19.361   3.373
  447    H    ASN  57           H        ASN  57  -6.210  14.124   8.100
  448    HA   ASN  57           HA       ASN  57  -5.402  15.834  10.150
  449   1HB   ASN  57          2HB       ASN  57  -7.737  15.302   9.871
  450   2HB   ASN  57          1HB       ASN  57  -7.433  13.590  10.157
  451   1HD2  ASN  57          1HD2      ASN  57  -7.731  12.858  12.135
  452   2HD2  ASN  57          2HD2      ASN  57  -7.846  13.822  13.566
  453    H    LYS  58           H        LYS  58  -5.277  12.314   9.915
  454    HA   LYS  58           HA       LYS  58  -4.269  11.723  12.441
  455   1HB   LYS  58          2HB       LYS  58  -4.968  10.270  10.259
  456   2HB   LYS  58          1HB       LYS  58  -3.218  10.127  10.186
  457   1HG   LYS  58          2HG       LYS  58  -4.068   9.681  12.868
  458   2HG   LYS  58          1HG       LYS  58  -5.024   8.672  11.778
  459   1HD   LYS  58          2HD       LYS  58  -3.288   7.334  11.357
  460   2HD   LYS  58          1HD       LYS  58  -2.213   8.703  11.060
  461   1HE   LYS  58          2HE       LYS  58  -1.733   8.928  13.377
  462   2HE   LYS  58          1HE       LYS  58  -3.016   7.798  13.814
  463   1HZ   LYS  58          1HZ       LYS  58  -0.567   7.006  13.763
  464   2HZ   LYS  58          2HZ       LYS  58  -0.803   6.901  12.091
  465   3HZ   LYS  58          3HZ       LYS  58  -1.777   5.999  13.140
  466    H    LEU  59           H        LEU  59  -2.574  12.474   9.426
  467    HA   LEU  59           HA       LEU  59   0.040  12.226  10.486
  468   1HB   LEU  59          2HB       LEU  59  -1.002  13.700   8.068
  469   2HB   LEU  59          1HB       LEU  59   0.701  13.514   8.439
  470    HG   LEU  59           HG       LEU  59  -0.897  11.021   8.296
  471   1HD1  LEU  59          1HD1      LEU  59  -1.841  11.763   6.356
  472   2HD1  LEU  59          2HD1      LEU  59  -0.311  11.148   5.728
  473   3HD1  LEU  59          3HD1      LEU  59  -0.518  12.877   6.008
  474   1HD2  LEU  59          1HD2      LEU  59   1.458  10.906   8.782
  475   2HD2  LEU  59          2HD2      LEU  59   1.839  11.859   7.349
  476   3HD2  LEU  59          3HD2      LEU  59   1.164  10.238   7.176
  477    H    ALA  60           H        ALA  60  -2.232  14.898  10.243
  478    HA   ALA  60           HA       ALA  60  -0.476  17.003  10.840
  479   1HB   ALA  60          1HB       ALA  60  -3.303  17.064  11.791
  480   2HB   ALA  60          2HB       ALA  60  -2.970  17.012  10.059
  481   3HB   ALA  60          3HB       ALA  60  -2.340  18.337  11.039
  482    H    GLN  61           H        GLN  61  -2.121  14.682  12.866
  483    HA   GLN  61           HA       GLN  61  -1.951  15.897  15.346
  484   1HB   GLN  61          2HB       GLN  61  -2.111  13.117  14.369
  485   2HB   GLN  61          1HB       GLN  61  -1.493  13.309  16.004
  486   1HG   GLN  61          2HG       GLN  61  -3.705  14.960  15.943
  487   2HG   GLN  61          1HG       GLN  61  -4.196  13.555  14.996
  488   1HE2  GLN  61          1HE2      GLN  61  -3.584  11.419  16.042
  489   2HE2  GLN  61          2HE2      GLN  61  -3.888  11.284  17.738
  490    H    LEU  62           H        LEU  62   0.534  14.052  13.612
  491    HA   LEU  62           HA       LEU  62   2.586  15.357  15.177
  492   1HB   LEU  62          2HB       LEU  62   3.576  12.888  15.489
  493   2HB   LEU  62          1HB       LEU  62   2.608  13.699  16.705
  494    HG   LEU  62           HG       LEU  62   0.811  12.351  14.971
  495   1HD1  LEU  62          1HD1      LEU  62   1.525  10.106  14.990
  496   2HD1  LEU  62          2HD1      LEU  62   2.883  10.465  16.057
  497   3HD1  LEU  62          3HD1      LEU  62   2.898  11.036  14.389
  498   1HD2  LEU  62          1HD2      LEU  62   1.367  11.085  17.538
  499   2HD2  LEU  62          2HD2      LEU  62  -0.116  11.822  16.934
  500   3HD2  LEU  62          3HD2      LEU  62   1.140  12.829  17.654
  501    H    ASN  63           H        ASN  63   1.825  12.883  12.760
  502    HA   ASN  63           HA       ASN  63   4.379  12.800  11.559
  503   1HB   ASN  63          2HB       ASN  63   1.787  12.247  10.115
  504   2HB   ASN  63          1HB       ASN  63   3.370  11.518   9.843
  505   1HD2  ASN  63          1HD2      ASN  63   0.484  11.468  11.719
  506   2HD2  ASN  63          2HD2      ASN  63   0.833  10.033  12.614
  507    H    ILE  64           H        ILE  64   3.906  13.146   8.845
  508    HA   ILE  64           HA       ILE  64   3.857  16.073   8.664
  509    HB   ILE  64           HB       ILE  64   4.807  14.087   6.593
  510   1HG1  ILE  64          2HG1      ILE  64   6.601  15.780   8.314
  511   2HG1  ILE  64          1HG1      ILE  64   6.056  14.198   8.866
  512   1HG2  ILE  64          1HG2      ILE  64   5.797  15.954   5.484
  513   2HG2  ILE  64          2HG2      ILE  64   5.379  17.036   6.812
  514   3HG2  ILE  64          3HG2      ILE  64   4.109  16.351   5.799
  515   1HD1  ILE  64          1HD1      ILE  64   7.210  13.084   7.178
  516   2HD1  ILE  64          2HD1      ILE  64   8.319  14.354   7.701
  517   3HD1  ILE  64          3HD1      ILE  64   7.393  14.547   6.211
  518    H    GLU  65           H        GLU  65   2.413  17.157   7.390
  519    HA   GLU  65           HA       GLU  65  -0.087  16.237   6.920
  520   1HB   GLU  65          2HB       GLU  65   1.416  18.533   6.142
  521   2HB   GLU  65          1HB       GLU  65   0.433  18.009   4.781
  522   1HG   GLU  65          2HG       GLU  65  -1.313  19.011   5.685
  523   2HG   GLU  65          1HG       GLU  65  -1.219  17.907   7.055
  524    H    HIS  66           H        HIS  66   2.596  16.037   4.750
  525    HA   HIS  66           HA       HIS  66   1.943  13.660   3.534
  526   1HB   HIS  66          2HB       HIS  66   0.576  14.034   1.761
  527   2HB   HIS  66          1HB       HIS  66   0.048  15.414   2.714
  528    HD1  HIS  66           1HD      HIS  66   0.912  17.767   1.960
  529    HD2  HIS  66           2HD      HIS  66   1.924  14.638  -0.580
  530    HE1  HIS  66           1HE      HIS  66   1.661  18.854  -0.181
  531    HE2  HIS  66           2HE      HIS  66   2.196  16.940  -1.729
  532    H    LYS  67           H        LYS  67   3.295  13.146   1.682
  533    HA   LYS  67           HA       LYS  67   5.168  14.995   0.631
  534   1HB   LYS  67          2HB       LYS  67   7.212  14.032   1.665
  535   2HB   LYS  67          1HB       LYS  67   6.190  14.881   2.817
  536   1HG   LYS  67          2HG       LYS  67   5.804  11.954   2.515
  537   2HG   LYS  67          1HG       LYS  67   7.250  12.522   3.352
  538   1HD   LYS  67          2HD       LYS  67   6.036  12.813   5.192
  539   2HD   LYS  67          1HD       LYS  67   5.086  14.033   4.343
  540   1HE   LYS  67          2HE       LYS  67   3.322  12.674   4.156
  541   2HE   LYS  67          1HE       LYS  67   4.321  11.319   3.633
  542   1HZ   LYS  67          1HZ       LYS  67   4.753  11.824   6.376
  543   2HZ   LYS  67          2HZ       LYS  67   4.154  10.425   5.637
  544   3HZ   LYS  67          3HZ       LYS  67   3.093  11.661   6.094
  545    H    ASN  68           H        ASN  68   3.389  13.058  -0.387
  546    HA   ASN  68           HA       ASN  68   5.284  11.432  -1.901
  547   1HB   ASN  68          2HB       ASN  68   3.057  10.388  -0.204
  548   2HB   ASN  68          1HB       ASN  68   3.417   9.564  -1.718
  549   1HD2  ASN  68          1HD2      ASN  68   5.917   9.317  -2.013
  550   2HD2  ASN  68          2HD2      ASN  68   6.725   8.622  -0.653
  551    H    PHE  69           H        PHE  69   3.872  13.809  -2.570
  552    HA   PHE  69           HA       PHE  69   1.537  13.265  -4.088
  553   1HB   PHE  69          2HB       PHE  69   2.474  15.526  -3.190
  554   2HB   PHE  69          1HB       PHE  69   3.400  15.547  -4.685
  555    HD1  PHE  69           1HD      PHE  69   0.334  16.380  -3.148
  556    HD2  PHE  69           2HD      PHE  69   2.051  15.251  -6.874
  557    HE1  PHE  69           1HE      PHE  69  -1.604  17.336  -4.326
  558    HE2  PHE  69           2HE      PHE  69   0.115  16.202  -8.059
  559    HZ   PHE  69           HZ       PHE  69  -1.716  17.246  -6.785
  560    H    THR  70           H        THR  70   1.798  11.625  -5.561
  561    HA   THR  70           HA       THR  70   3.353  12.271  -7.926
  562    HB   THR  70           HB       THR  70   4.184   9.779  -7.884
  563    HG1  THR  70           1HG      THR  70   4.828   9.587  -5.444
  564   1HG2  THR  70          1HG2      THR  70   5.973  11.056  -6.080
  565   2HG2  THR  70          2HG2      THR  70   5.324  12.280  -7.171
  566   3HG2  THR  70          3HG2      THR  70   6.131  10.854  -7.824
  567    H    SER  71           H        SER  71   1.697  12.229  -9.336
  568    HA   SER  71           HA       SER  71  -0.540  10.529  -9.181
  569   1HB   SER  71          2HB       SER  71  -0.791  11.172 -11.664
  570   2HB   SER  71          1HB       SER  71  -0.831  12.476 -10.477
  571    HG   SER  71           HG       SER  71   1.633  11.754 -11.588
  572    H    LYS  72           H        LYS  72  -0.278   8.371  -9.153
  573    HA   LYS  72           HA       LYS  72   1.412   7.176 -11.245
  574   1HB   LYS  72          2HB       LYS  72   1.058   6.565  -8.386
  575   2HB   LYS  72          1HB       LYS  72   1.090   5.165  -9.447
  576   1HG   LYS  72          2HG       LYS  72   3.201   7.142  -9.944
  577   2HG   LYS  72          1HG       LYS  72   3.279   6.334  -8.377
  578   1HD   LYS  72          2HD       LYS  72   3.963   4.417  -9.300
  579   2HD   LYS  72          1HD       LYS  72   2.706   4.482 -10.539
  580   1HE   LYS  72          2HE       LYS  72   4.818   4.529 -11.647
  581   2HE   LYS  72          1HE       LYS  72   4.116   6.141 -11.766
  582   1HZ   LYS  72          1HZ       LYS  72   5.909   6.967 -10.796
  583   2HZ   LYS  72          2HZ       LYS  72   6.599   5.425 -10.722
  584   3HZ   LYS  72          3HZ       LYS  72   5.669   5.996  -9.431
  585    H    LYS  73           H        LYS  73   0.738   5.042 -12.015
  586    HA   LYS  73           HA       LYS  73  -2.076   4.371 -11.743
  587   1HB   LYS  73          2HB       LYS  73  -2.295   4.330 -14.285
  588   2HB   LYS  73          1HB       LYS  73  -2.318   5.908 -13.516
  589   1HG   LYS  73          2HG       LYS  73  -0.642   6.573 -14.792
  590   2HG   LYS  73          1HG       LYS  73   0.377   5.281 -14.152
  591   1HD   LYS  73          2HD       LYS  73  -1.002   3.817 -15.860
  592   2HD   LYS  73          1HD       LYS  73  -1.236   5.375 -16.656
  593   1HE   LYS  73          2HE       LYS  73   1.332   5.614 -16.389
  594   2HE   LYS  73          1HE       LYS  73   1.301   3.866 -16.154
  595   1HZ   LYS  73          1HZ       LYS  73  -0.254   4.368 -18.379
  596   2HZ   LYS  73          2HZ       LYS  73   1.289   3.675 -18.349
  597   3HZ   LYS  73          3HZ       LYS  73   1.115   5.344 -18.563
  598    H    LEU  74           H        LEU  74  -1.488   2.375 -10.938
  599    HA   LEU  74           HA       LEU  74   0.533   0.712 -11.877
  600   1HB   LEU  74          2HB       LEU  74  -0.442   0.187  -9.794
  601   2HB   LEU  74          1HB       LEU  74  -2.060   0.142 -10.468
  602    HG   LEU  74           HG       LEU  74  -0.677  -1.855 -11.843
  603   1HD1  LEU  74          1HD1      LEU  74   0.684  -1.363  -9.425
  604   2HD1  LEU  74          2HD1      LEU  74   0.905  -2.704 -10.548
  605   3HD1  LEU  74          3HD1      LEU  74  -0.233  -2.854  -9.209
  606   1HD2  LEU  74          1HD2      LEU  74  -2.090  -3.054  -9.741
  607   2HD2  LEU  74          2HD2      LEU  74  -2.665  -2.725 -11.376
  608   3HD2  LEU  74          3HD2      LEU  74  -2.931  -1.544 -10.092
  609    H    THR  75           H        THR  75   0.801  -0.320 -13.738
  610    HA   THR  75           HA       THR  75  -1.578  -1.157 -15.257
  611    HB   THR  75           HB       THR  75   0.242  -0.710 -17.243
  612    HG1  THR  75           1HG      THR  75   1.708   0.412 -16.003
  613   1HG2  THR  75          1HG2      THR  75  -1.880   1.119 -16.124
  614   2HG2  THR  75          2HG2      THR  75  -2.047  -0.057 -17.428
  615   3HG2  THR  75          3HG2      THR  75  -1.074   1.394 -17.668
  616    H    GLN  76           H        GLN  76  -0.390  -2.433 -17.343
  617    HA   GLN  76           HA       GLN  76   0.424  -4.885 -16.166
  618   1HB   GLN  76          2HB       GLN  76  -0.040  -3.871 -18.910
  619   2HB   GLN  76          1HB       GLN  76   1.039  -5.251 -18.765
  620   1HG   GLN  76          2HG       GLN  76  -1.662  -5.237 -17.471
  621   2HG   GLN  76          1HG       GLN  76  -1.445  -5.693 -19.160
  622   1HE2  GLN  76          1HE2      GLN  76  -2.209  -7.780 -18.649
  623   2HE2  GLN  76          2HE2      GLN  76  -1.193  -8.936 -17.864
  624    H    LYS  77           H        LYS  77   2.146  -2.478 -18.141
  625    HA   LYS  77           HA       LYS  77   4.636  -3.748 -18.171
  626   1HB   LYS  77          2HB       LYS  77   5.503  -1.330 -18.467
  627   2HB   LYS  77          1HB       LYS  77   4.428  -1.995 -19.689
  628   1HG   LYS  77          2HG       LYS  77   2.536  -0.859 -18.455
  629   2HG   LYS  77          1HG       LYS  77   3.777  -0.013 -17.529
  630   1HD   LYS  77          2HD       LYS  77   3.727   1.513 -19.164
  631   2HD   LYS  77          1HD       LYS  77   4.611   0.327 -20.127
  632   1HE   LYS  77          2HE       LYS  77   2.739  -0.317 -21.300
  633   2HE   LYS  77          1HE       LYS  77   1.636   0.176 -20.015
  634   1HZ   LYS  77          1HZ       LYS  77   3.190   2.101 -21.651
  635   2HZ   LYS  77          2HZ       LYS  77   1.913   2.441 -20.594
  636   3HZ   LYS  77          3HZ       LYS  77   1.616   1.611 -22.037
  637    H    LEU  78           H        LEU  78   3.175  -1.595 -15.796
  638    HA   LEU  78           HA       LEU  78   5.528  -1.241 -14.236
  639   1HB   LEU  78          2HB       LEU  78   2.618  -0.718 -13.845
  640   2HB   LEU  78          1HB       LEU  78   3.669  -0.699 -12.441
  641    HG   LEU  78           HG       LEU  78   4.294   0.964 -14.863
  642   1HD1  LEU  78          1HD1      LEU  78   2.344   2.021 -14.500
  643   2HD1  LEU  78          2HD1      LEU  78   3.215   2.748 -13.149
  644   3HD1  LEU  78          3HD1      LEU  78   2.164   1.358 -12.875
  645   1HD2  LEU  78          1HD2      LEU  78   5.203   0.789 -12.036
  646   2HD2  LEU  78          2HD2      LEU  78   5.203   2.367 -12.823
  647   3HD2  LEU  78          3HD2      LEU  78   6.135   1.039 -13.512
  648    H    CYS  79           H        CYS  79   2.712  -3.383 -13.946
  649    HA   CYS  79           HA       CYS  79   3.459  -4.639 -11.551
  650   1HB   CYS  79          2HB       CYS  79   1.255  -5.046 -12.145
  651   2HB   CYS  79          1HB       CYS  79   1.655  -5.351 -13.831
  652    HG   CYS  79           HG       CYS  79   2.926  -7.608 -11.713
  653    H    ASP  80           H        ASP  80   4.341  -5.236 -14.887
  654    HA   ASP  80           HA       ASP  80   5.535  -7.758 -14.572
  655   1HB   ASP  80          2HB       ASP  80   4.995  -6.855 -16.770
  656   2HB   ASP  80          1HB       ASP  80   6.156  -5.551 -16.546
  657    H    GLU  81           H        GLU  81   6.542  -4.638 -13.588
  658    HA   GLU  81           HA       GLU  81   9.356  -5.279 -13.463
  659   1HB   GLU  81          2HB       GLU  81   7.912  -2.930 -12.235
  660   2HB   GLU  81          1HB       GLU  81   9.639  -3.073 -12.527
  661   1HG   GLU  81          2HG       GLU  81   9.250  -3.081 -14.926
  662   2HG   GLU  81          1HG       GLU  81   7.511  -2.984 -14.654
  663    H    SER  82           H        SER  82   6.898  -4.432 -10.996
  664    HA   SER  82           HA       SER  82   8.484  -5.176  -8.804
  665   1HB   SER  82          2HB       SER  82   5.632  -4.535  -9.255
  666   2HB   SER  82          1HB       SER  82   5.988  -5.498  -7.820
  667    HG   SER  82           HG       SER  82   7.780  -3.645  -7.782
  668    H    ASP  83           H        ASP  83   8.638  -7.025  -7.604
  669    HA   ASP  83           HA       ASP  83   7.981  -9.483  -8.990
  670   1HB   ASP  83          2HB       ASP  83  10.041  -8.661  -7.268
  671   2HB   ASP  83          1HB       ASP  83   9.128  -9.864  -6.362
  672    H    PHE  84           H        PHE  84   6.860  -7.617  -6.296
  673    HA   PHE  84           HA       PHE  84   4.849  -9.699  -5.738
  674   1HB   PHE  84          2HB       PHE  84   6.602  -8.193  -3.891
  675   2HB   PHE  84          1HB       PHE  84   4.919  -8.344  -3.394
  676    HD1  PHE  84           1HD      PHE  84   8.086  -9.873  -3.372
  677    HD2  PHE  84           2HD      PHE  84   3.925 -10.756  -3.512
  678    HE1  PHE  84           1HE      PHE  84   8.544 -12.143  -2.542
  679    HE2  PHE  84           2HE      PHE  84   4.375 -13.026  -2.680
  680    HZ   PHE  84           HZ       PHE  84   6.687 -13.723  -2.193
  681    H    LEU  85           H        LEU  85   2.745  -9.036  -5.479
  682    HA   LEU  85           HA       LEU  85   2.220  -6.166  -5.897
  683   1HB   LEU  85          2HB       LEU  85   1.664  -8.166  -7.688
  684   2HB   LEU  85          1HB       LEU  85   0.144  -8.018  -6.826
  685    HG   LEU  85           HG       LEU  85   0.407  -5.468  -7.324
  686   1HD1  LEU  85          1HD1      LEU  85   1.990  -6.570  -9.629
  687   2HD1  LEU  85          2HD1      LEU  85   2.748  -5.831  -8.218
  688   3HD1  LEU  85          3HD1      LEU  85   1.660  -4.884  -9.232
  689   1HD2  LEU  85          1HD2      LEU  85  -0.545  -5.967  -9.690
  690   2HD2  LEU  85          2HD2      LEU  85  -1.433  -6.499  -8.262
  691   3HD2  LEU  85          3HD2      LEU  85  -0.456  -7.650  -9.173
  692    H    ILE  86           H        ILE  86   0.633  -5.224  -4.688
  693    HA   ILE  86           HA       ILE  86  -0.916  -6.938  -2.869
  694    HB   ILE  86           HB       ILE  86   0.399  -4.366  -1.991
  695   1HG1  ILE  86          2HG1      ILE  86   1.570  -6.327  -0.501
  696   2HG1  ILE  86          1HG1      ILE  86   1.392  -7.143  -2.051
  697   1HG2  ILE  86          1HG2      ILE  86  -1.309  -6.423  -0.649
  698   2HG2  ILE  86          2HG2      ILE  86  -1.463  -4.666  -0.643
  699   3HG2  ILE  86          3HG2      ILE  86  -0.181  -5.442   0.287
  700   1HD1  ILE  86          1HD1      ILE  86   2.481  -5.031  -3.036
  701   2HD1  ILE  86          2HD1      ILE  86   3.494  -6.193  -2.179
  702   3HD1  ILE  86          3HD1      ILE  86   2.983  -4.708  -1.377
  703    H    THR  87           H        THR  87  -2.974  -6.247  -2.418
  704    HA   THR  87           HA       THR  87  -3.897  -3.921  -3.960
  705    HB   THR  87           HB       THR  87  -6.206  -5.131  -3.370
  706    HG1  THR  87           1HG      THR  87  -5.003  -6.828  -2.229
  707   1HG2  THR  87          1HG2      THR  87  -4.260  -5.532  -5.592
  708   2HG2  THR  87          2HG2      THR  87  -5.849  -4.768  -5.611
  709   3HG2  THR  87          3HG2      THR  87  -5.715  -6.526  -5.552
  710    H    MET  88           H        MET  88  -4.902  -5.659  -1.005
  711    HA   MET  88           HA       MET  88  -5.383  -4.927   1.091
  712   1HB   MET  88          2HB       MET  88  -4.521  -2.217   0.061
  713   2HB   MET  88          1HB       MET  88  -4.981  -2.549   1.726
  714   1HG   MET  88          2HG       MET  88  -3.096  -3.847   2.120
  715   2HG   MET  88          1HG       MET  88  -2.794  -4.099   0.403
  716   1HE   MET  88          1HE       MET  88  -0.952  -1.888   3.287
  717   2HE   MET  88          2HE       MET  88  -2.694  -2.129   3.406
  718   3HE   MET  88          3HE       MET  88  -2.049  -0.534   3.023
  719    H    ASP  89           H        ASP  89  -6.611  -3.181  -1.685
  720    HA   ASP  89           HA       ASP  89  -8.989  -2.278  -0.309
  721   1HB   ASP  89          2HB       ASP  89  -9.078  -2.292  -3.239
  722   2HB   ASP  89          1HB       ASP  89  -9.324  -0.963  -2.112
  723    H    ASN  90           H        ASN  90 -10.935  -3.261  -0.280
  724    HA   ASN  90           HA       ASN  90 -11.107  -6.016  -0.774
  725   1HB   ASN  90          2HB       ASN  90 -12.545  -4.268   0.697
  726   2HB   ASN  90          1HB       ASN  90 -13.643  -4.493  -0.661
  727   1HD2  ASN  90          1HD2      ASN  90 -13.999  -5.286   2.084
  728   2HD2  ASN  90          2HD2      ASN  90 -14.210  -7.001   2.081
  729    H    SER  91           H        SER  91 -12.385  -3.263  -2.628
  730    HA   SER  91           HA       SER  91 -13.590  -4.993  -4.593
  731   1HB   SER  91          2HB       SER  91 -13.917  -2.315  -3.815
  732   2HB   SER  91          1HB       SER  91 -13.337  -2.260  -5.479
  733    HG   SER  91           HG       SER  91 -15.093  -4.120  -5.544
  734    H    ASN  92           H        ASN  92 -10.733  -2.901  -4.457
  735    HA   ASN  92           HA       ASN  92  -9.970  -2.989  -7.115
  736   1HB   ASN  92          2HB       ASN  92  -8.929  -1.812  -4.965
  737   2HB   ASN  92          1HB       ASN  92  -7.823  -3.178  -5.066
  738   1HD2  ASN  92          1HD2      ASN  92  -8.611  -0.123  -6.248
  739   2HD2  ASN  92          2HD2      ASN  92  -7.468  -0.054  -7.541
  740    H    PHE  93           H        PHE  93  -9.824  -5.510  -4.745
  741    HA   PHE  93           HA       PHE  93  -7.810  -7.093  -5.930
  742   1HB   PHE  93          2HB       PHE  93  -8.330  -7.679  -3.726
  743   2HB   PHE  93          1HB       PHE  93 -10.063  -7.658  -4.027
  744    HD1  PHE  93           1HD      PHE  93  -6.978  -9.521  -4.973
  745    HD2  PHE  93           2HD      PHE  93 -11.184  -9.645  -4.344
  746    HE1  PHE  93           1HE      PHE  93  -6.952 -11.960  -5.301
  747    HE2  PHE  93           2HE      PHE  93 -11.167 -12.084  -4.671
  748    HZ   PHE  93           HZ       PHE  93  -9.049 -13.244  -5.150
  749    H    LYS  94           H        LYS  94 -11.353  -7.530  -6.027
  750    HA   LYS  94           HA       LYS  94 -11.388  -9.542  -7.955
  751   1HB   LYS  94          2HB       LYS  94 -13.405  -7.484  -7.106
  752   2HB   LYS  94          1HB       LYS  94 -13.760  -8.605  -8.415
  753   1HG   LYS  94          2HG       LYS  94 -12.989 -10.390  -6.635
  754   2HG   LYS  94          1HG       LYS  94 -13.453  -9.115  -5.507
  755   1HD   LYS  94          2HD       LYS  94 -15.246 -10.123  -7.708
  756   2HD   LYS  94          1HD       LYS  94 -15.266 -10.767  -6.066
  757   1HE   LYS  94          2HE       LYS  94 -15.643  -8.371  -5.300
  758   2HE   LYS  94          1HE       LYS  94 -15.963  -7.992  -6.992
  759   1HZ   LYS  94          1HZ       LYS  94 -17.420 -10.277  -6.033
  760   2HZ   LYS  94          2HZ       LYS  94 -17.971  -8.925  -6.887
  761   3HZ   LYS  94          3HZ       LYS  94 -17.802  -8.851  -5.205
  762    H    ASN  95           H        ASN  95 -11.559  -6.027  -8.334
  763    HA   ASN  95           HA       ASN  95 -12.006  -5.965 -11.100
  764   1HB   ASN  95          2HB       ASN  95 -11.831  -4.085  -9.133
  765   2HB   ASN  95          1HB       ASN  95 -10.333  -3.797 -10.011
  766   1HD2  ASN  95          1HD2      ASN  95 -12.944  -2.312  -9.738
  767   2HD2  ASN  95          2HD2      ASN  95 -13.405  -1.964 -11.366
  768    H    VAL  96           H        VAL  96  -8.936  -5.504  -9.341
  769    HA   VAL  96           HA       VAL  96  -7.269  -5.392 -11.567
  770    HB   VAL  96           HB       VAL  96  -6.790  -4.988  -9.012
  771   1HG1  VAL  96          1HG1      VAL  96  -5.371  -7.597  -9.204
  772   2HG1  VAL  96          2HG1      VAL  96  -7.067  -7.588  -8.717
  773   3HG1  VAL  96          3HG1      VAL  96  -5.875  -6.686  -7.780
  774   1HG2  VAL  96          1HG2      VAL  96  -4.278  -5.544  -9.618
  775   2HG2  VAL  96          2HG2      VAL  96  -5.144  -4.211 -10.382
  776   3HG2  VAL  96          3HG2      VAL  96  -4.967  -5.747 -11.229
  777    H    LEU  97           H        LEU  97  -8.797  -8.117 -10.083
  778    HA   LEU  97           HA       LEU  97  -7.052 -10.150 -10.976
  779   1HB   LEU  97          2HB       LEU  97  -9.094 -10.162  -9.297
  780   2HB   LEU  97          1HB       LEU  97  -9.981 -10.648 -10.728
  781    HG   LEU  97           HG       LEU  97  -7.555 -12.212 -10.377
  782   1HD1  LEU  97          1HD1      LEU  97  -9.417 -13.159  -8.389
  783   2HD1  LEU  97          2HD1      LEU  97  -8.818 -11.550  -7.986
  784   3HD1  LEU  97          3HD1      LEU  97  -7.682 -12.871  -8.260
  785   1HD2  LEU  97          1HD2      LEU  97  -8.834 -13.756 -11.361
  786   2HD2  LEU  97          2HD2      LEU  97 -10.022 -12.470 -11.569
  787   3HD2  LEU  97          3HD2      LEU  97 -10.130 -13.553 -10.183
  788    H    LYS  98           H        LYS  98 -10.214  -9.148 -12.296
  789    HA   LYS  98           HA       LYS  98  -9.778 -10.626 -14.723
  790   1HB   LYS  98          2HB       LYS  98 -12.006  -9.692 -13.384
  791   2HB   LYS  98          1HB       LYS  98 -11.916  -8.636 -14.786
  792   1HG   LYS  98          2HG       LYS  98 -12.056 -10.465 -16.286
  793   2HG   LYS  98          1HG       LYS  98 -11.824 -11.632 -14.982
  794   1HD   LYS  98          2HD       LYS  98 -14.078 -11.773 -15.094
  795   2HD   LYS  98          1HD       LYS  98 -13.996 -10.345 -14.061
  796   1HE   LYS  98          2HE       LYS  98 -14.043  -8.968 -16.181
  797   2HE   LYS  98          1HE       LYS  98 -14.439 -10.458 -17.037
  798   1HZ   LYS  98          1HZ       LYS  98 -16.382  -9.064 -16.377
  799   2HZ   LYS  98          2HZ       LYS  98 -16.031  -9.417 -14.761
  800   3HZ   LYS  98          3HZ       LYS  98 -16.448 -10.662 -15.826
  801    H    ASN  99           H        ASN  99  -8.756  -7.631 -13.624
  802    HA   ASN  99           HA       ASN  99  -8.858  -6.277 -16.182
  803   1HB   ASN  99          2HB       ASN  99  -8.753  -5.390 -13.581
  804   2HB   ASN  99          1HB       ASN  99  -7.101  -5.131 -14.131
  805   1HD2  ASN  99          1HD2      ASN  99  -9.927  -3.639 -13.767
  806   2HD2  ASN  99          2HD2      ASN  99  -9.853  -2.488 -15.053
  807    H    PHE 100           H        PHE 100  -6.681  -8.307 -14.452
  808    HA   PHE 100           HA       PHE 100  -4.598  -7.754 -16.458
  809   1HB   PHE 100          2HB       PHE 100  -4.342  -8.414 -13.532
  810   2HB   PHE 100          1HB       PHE 100  -3.008  -8.661 -14.655
  811    HD1  PHE 100           1HD      PHE 100  -1.669  -6.865 -15.369
  812    HD2  PHE 100           2HD      PHE 100  -5.261  -6.109 -13.218
  813    HE1  PHE 100           1HE      PHE 100  -1.018  -4.506 -15.121
  814    HE2  PHE 100           2HE      PHE 100  -4.618  -3.748 -12.966
  815    HZ   PHE 100           HZ       PHE 100  -2.494  -2.943 -13.919
  816    H    THR 101           H        THR 101  -3.004  -9.699 -16.543
  817    HA   THR 101           HA       THR 101  -4.498 -11.932 -17.484
  818    HB   THR 101           HB       THR 101  -2.086 -12.953 -17.611
  819    HG1  THR 101           1HG      THR 101  -0.641 -10.975 -17.860
  820   1HG2  THR 101          1HG2      THR 101  -3.579 -11.132 -19.270
  821   2HG2  THR 101          2HG2      THR 101  -2.554 -12.487 -19.740
  822   3HG2  THR 101          3HG2      THR 101  -1.846 -10.891 -19.494
  823    H    ASN 102           H        ASN 102  -3.089 -14.150 -16.825
  824    HA   ASN 102           HA       ASN 102  -4.167 -14.829 -14.286
  825   1HB   ASN 102          2HB       ASN 102  -2.434 -16.276 -16.271
  826   2HB   ASN 102          1HB       ASN 102  -2.817 -16.989 -14.708
  827   1HD2  ASN 102          1HD2      ASN 102  -5.311 -16.605 -14.216
  828   2HD2  ASN 102          2HD2      ASN 102  -6.352 -17.172 -15.473
  829    H    THR 103           H        THR 103  -1.728 -12.863 -14.709
  830    HA   THR 103           HA       THR 103   0.198 -14.083 -12.905
  831    HB   THR 103           HB       THR 103   1.051 -12.817 -14.828
  832    HG1  THR 103           1HG      THR 103   2.555 -12.648 -13.310
  833   1HG2  THR 103          1HG2      THR 103  -0.905 -11.161 -14.762
  834   2HG2  THR 103          2HG2      THR 103   0.690 -10.521 -15.156
  835   3HG2  THR 103          3HG2      THR 103   0.028 -10.303 -13.536
  836    H    GLN 104           H        GLN 104  -2.665 -12.751 -12.419
  837    HA   GLN 104           HA       GLN 104  -2.119 -10.746 -10.462
  838   1HB   GLN 104          2HB       GLN 104  -4.419 -10.569 -10.192
  839   2HB   GLN 104          1HB       GLN 104  -4.278 -11.133 -11.850
  840   1HG   GLN 104          2HG       GLN 104  -4.738 -12.990  -9.537
  841   2HG   GLN 104          1HG       GLN 104  -6.051 -12.227 -10.431
  842   1HE2  GLN 104          1HE2      GLN 104  -5.991 -12.559 -12.813
  843   2HE2  GLN 104          2HE2      GLN 104  -5.516 -14.116 -13.390
  844    H    ASN 105           H        ASN 105  -1.756 -14.052 -10.434
  845    HA   ASN 105           HA       ASN 105  -2.647 -14.745  -7.849
  846   1HB   ASN 105          2HB       ASN 105  -1.558 -16.785  -8.170
  847   2HB   ASN 105          1HB       ASN 105  -1.904 -16.266  -9.816
  848   1HD2  ASN 105          1HD2      ASN 105  -0.200 -15.407 -11.079
  849   2HD2  ASN 105          2HD2      ASN 105   1.445 -15.796 -10.726
  850    H    LYS 106           H        LYS 106  -0.146 -12.731  -8.840
  851    HA   LYS 106           HA       LYS 106   1.543 -13.229  -6.521
  852   1HB   LYS 106          2HB       LYS 106   1.767 -11.368  -8.882
  853   2HB   LYS 106          1HB       LYS 106   2.876 -11.297  -7.519
  854   1HG   LYS 106          2HG       LYS 106   3.397 -13.717  -7.947
  855   2HG   LYS 106          1HG       LYS 106   2.474 -13.568  -9.445
  856   1HD   LYS 106          2HD       LYS 106   3.992 -11.607 -10.006
  857   2HD   LYS 106          1HD       LYS 106   5.006 -12.142  -8.665
  858   1HE   LYS 106          2HE       LYS 106   4.204 -13.908 -10.970
  859   2HE   LYS 106          1HE       LYS 106   5.703 -12.981 -10.922
  860   1HZ   LYS 106          1HZ       LYS 106   6.452 -14.910 -10.047
  861   2HZ   LYS 106          2HZ       LYS 106   4.946 -15.368  -9.429
  862   3HZ   LYS 106          3HZ       LYS 106   5.886 -14.225  -8.607
  863    H    VAL 107           H        VAL 107  -1.295 -11.819  -6.794
  864    HA   VAL 107           HA       VAL 107  -0.687  -9.331  -5.403
  865    HB   VAL 107           HB       VAL 107  -2.466  -9.595  -7.261
  866   1HG1  VAL 107          1HG1      VAL 107  -4.033 -10.605  -4.888
  867   2HG1  VAL 107          2HG1      VAL 107  -3.633 -11.517  -6.344
  868   3HG1  VAL 107          3HG1      VAL 107  -4.719 -10.132  -6.442
  869   1HG2  VAL 107          1HG2      VAL 107  -2.190  -7.864  -5.064
  870   2HG2  VAL 107          2HG2      VAL 107  -3.917  -8.184  -5.236
  871   3HG2  VAL 107          3HG2      VAL 107  -2.999  -7.546  -6.600
  872    H    LEU 108           H        LEU 108  -1.373  -8.827  -3.333
  873    HA   LEU 108           HA       LEU 108  -2.289 -11.107  -1.706
  874   1HB   LEU 108          2HB       LEU 108  -0.265  -8.969  -1.095
  875   2HB   LEU 108          1HB       LEU 108  -1.050  -9.881   0.180
  876    HG   LEU 108           HG       LEU 108  -0.180 -11.926  -1.322
  877   1HD1  LEU 108          1HD1      LEU 108   2.094 -11.420  -2.109
  878   2HD1  LEU 108          2HD1      LEU 108   1.812  -9.711  -1.775
  879   3HD1  LEU 108          3HD1      LEU 108   0.860 -10.538  -3.007
  880   1HD2  LEU 108          1HD2      LEU 108   0.691 -12.280   0.689
  881   2HD2  LEU 108          2HD2      LEU 108   0.682 -10.556   1.057
  882   3HD2  LEU 108          3HD2      LEU 108   2.056 -11.270   0.214
  883    H    LYS 109           H        LYS 109  -3.699 -10.644   0.040
  884    HA   LYS 109           HA       LYS 109  -5.040  -8.029  -0.169
  885   1HB   LYS 109          2HB       LYS 109  -6.266 -10.185  -0.948
  886   2HB   LYS 109          1HB       LYS 109  -6.440 -10.513   0.770
  887   1HG   LYS 109          2HG       LYS 109  -8.091  -9.040   0.985
  888   2HG   LYS 109          1HG       LYS 109  -7.216  -7.802   0.082
  889   1HD   LYS 109          2HD       LYS 109  -9.107  -8.215  -1.224
  890   2HD   LYS 109          1HD       LYS 109  -7.842  -9.169  -2.001
  891   1HE   LYS 109          2HE       LYS 109  -9.244 -10.898  -1.849
  892   2HE   LYS 109          1HE       LYS 109  -8.883 -10.897  -0.123
  893   1HZ   LYS 109          1HZ       LYS 109 -11.203 -10.838  -0.281
  894   2HZ   LYS 109          2HZ       LYS 109 -11.194  -9.671  -1.505
  895   3HZ   LYS 109          3HZ       LYS 109 -10.766  -9.243   0.074
  896    H    ILE 110           H        ILE 110  -5.690  -7.010   1.706
  897    HA   ILE 110           HA       ILE 110  -4.177  -7.673   4.059
  898    HB   ILE 110           HB       ILE 110  -4.818  -5.318   3.143
  899   1HG1  ILE 110          2HG1      ILE 110  -4.967  -4.539   5.656
  900   2HG1  ILE 110          1HG1      ILE 110  -4.642  -6.240   5.983
  901   1HG2  ILE 110          1HG2      ILE 110  -6.865  -4.487   3.497
  902   2HG2  ILE 110          2HG2      ILE 110  -7.012  -5.253   5.080
  903   3HG2  ILE 110          3HG2      ILE 110  -7.352  -6.177   3.617
  904   1HD1  ILE 110          1HD1      ILE 110  -2.488  -5.911   5.633
  905   2HD1  ILE 110          2HD1      ILE 110  -2.809  -4.197   5.366
  906   3HD1  ILE 110          3HD1      ILE 110  -2.815  -5.319   4.005
  907    H    THR 111           H        THR 111  -7.276  -8.443   2.871
  908    HA   THR 111           HA       THR 111  -8.753  -8.680   5.247
  909    HB   THR 111           HB       THR 111 -10.180 -10.270   4.018
  910    HG1  THR 111           1HG      THR 111  -7.913 -10.584   2.557
  911   1HG2  THR 111          1HG2      THR 111 -10.459  -7.852   3.651
  912   2HG2  THR 111          2HG2      THR 111 -10.854  -8.783   2.207
  913   3HG2  THR 111          3HG2      THR 111  -9.312  -7.932   2.312
  914    H    ASP 112           H        ASP 112  -6.270 -10.651   3.844
  915    HA   ASP 112           HA       ASP 112  -6.822 -12.965   5.473
  916   1HB   ASP 112          2HB       ASP 112  -4.696 -12.219   3.494
  917   2HB   ASP 112          1HB       ASP 112  -4.457 -13.601   4.557
  918    H    PHE 113           H        PHE 113  -4.892 -10.092   5.683
  919    HA   PHE 113           HA       PHE 113  -3.313 -11.125   7.903
  920   1HB   PHE 113          2HB       PHE 113  -3.310  -8.490   6.428
  921   2HB   PHE 113          1HB       PHE 113  -2.341  -8.771   7.867
  922    HD1  PHE 113           1HD      PHE 113  -1.946 -11.820   6.885
  923    HD2  PHE 113           2HD      PHE 113  -1.225  -7.962   5.237
  924    HE1  PHE 113           1HE      PHE 113  -0.154 -12.757   5.485
  925    HE2  PHE 113           2HE      PHE 113   0.568  -8.893   3.835
  926    HZ   PHE 113           HZ       PHE 113   1.106 -11.292   3.957
  927    H    SER 114           H        SER 114  -5.198  -8.147   7.407
  928    HA   SER 114           HA       SER 114  -5.496  -7.385  10.020
  929   1HB   SER 114          2HB       SER 114  -7.041  -5.858   9.262
  930   2HB   SER 114          1HB       SER 114  -6.313  -6.324   7.726
  931    HG   SER 114           HG       SER 114  -8.843  -6.809   8.707
  932    HA   PRO 115           HA       PRO 115  -8.242 -10.543  11.564
  933   1HB   PRO 115          2HB       PRO 115  -8.104  -9.863  14.165
  934   2HB   PRO 115          1HB       PRO 115  -6.756 -10.624  13.318
  935   1HG   PRO 115          2HG       PRO 115  -7.079  -7.830  14.213
  936   2HG   PRO 115          1HG       PRO 115  -5.599  -8.757  13.927
  937   1HD   PRO 115          2HD       PRO 115  -6.838  -6.854  12.193
  938   2HD   PRO 115          1HD       PRO 115  -5.396  -7.836  11.875
  939    H    SER 116           H        SER 116  -8.873  -8.018  13.910
  940    HA   SER 116           HA       SER 116 -11.702  -8.128  13.241
  941   1HB   SER 116          2HB       SER 116 -10.107  -7.387  15.613
  942   2HB   SER 116          1HB       SER 116 -11.561  -6.423  15.357
  943    HG   SER 116           HG       SER 116 -11.412  -9.252  15.540
  944    H    LEU 117           H        LEU 117  -9.541  -6.627  11.678
  945    HA   LEU 117           HA       LEU 117 -10.142  -3.855  11.977
  946   1HB   LEU 117          2HB       LEU 117  -8.281  -5.415  10.559
  947   2HB   LEU 117          1HB       LEU 117  -9.181  -4.526   9.346
  948    HG   LEU 117           HG       LEU 117  -8.613  -2.411  10.476
  949   1HD1  LEU 117          1HD1      LEU 117  -7.234  -2.268  12.348
  950   2HD1  LEU 117          2HD1      LEU 117  -6.699  -3.942  12.201
  951   3HD1  LEU 117          3HD1      LEU 117  -8.338  -3.585  12.742
  952   1HD2  LEU 117          1HD2      LEU 117  -6.929  -4.072   8.976
  953   2HD2  LEU 117          2HD2      LEU 117  -5.920  -3.380  10.247
  954   3HD2  LEU 117          3HD2      LEU 117  -6.824  -2.322   9.165
  955    H    ASN 118           H        ASN 118 -11.094  -6.324   9.598
  956    HA   ASN 118           HA       ASN 118 -12.631  -6.229   7.878
  957   1HB   ASN 118          2HB       ASN 118 -13.992  -5.770  10.479
  958   2HB   ASN 118          1HB       ASN 118 -14.958  -5.556   9.023
  959   1HD2  ASN 118          1HD2      ASN 118 -14.477  -7.411   7.364
  960   2HD2  ASN 118          2HD2      ASN 118 -14.583  -9.003   8.030
  961    H    TYR 119           H        TYR 119 -11.199  -4.020   7.492
  962    HA   TYR 119           HA       TYR 119 -12.961  -1.710   7.457
  963   1HB   TYR 119          2HB       TYR 119 -11.096  -0.429   7.313
  964   2HB   TYR 119          1HB       TYR 119 -10.318  -1.883   7.918
  965    HD1  TYR 119           1HD      TYR 119  -9.824  -3.596   5.740
  966    HD2  TYR 119           2HD      TYR 119  -9.857   0.661   5.737
  967    HE1  TYR 119           1HE      TYR 119  -8.321  -3.589   3.787
  968    HE2  TYR 119           2HE      TYR 119  -8.361   0.677   3.787
  969    HH   TYR 119           HH       TYR 119  -6.503  -1.400   2.875
  970    H    ASP 120           H        ASP 120 -13.131  -0.398   5.468
  971    HA   ASP 120           HA       ASP 120 -13.789  -2.127   3.211
  972   1HB   ASP 120          2HB       ASP 120 -15.238  -0.179   4.291
  973   2HB   ASP 120          1HB       ASP 120 -14.296   0.816   3.187
  974    H    GLU 121           H        GLU 121 -13.541   0.413   1.505
  975    HA   GLU 121           HA       GLU 121 -10.787  -0.100   0.717
  976   1HB   GLU 121          2HB       GLU 121 -13.212   0.795  -0.614
  977   2HB   GLU 121          1HB       GLU 121 -11.833   1.805  -1.020
  978   1HG   GLU 121          2HG       GLU 121 -10.677   0.063  -2.004
  979   2HG   GLU 121          1HG       GLU 121 -11.609  -1.169  -1.153
  980    H    VAL 122           H        VAL 122  -9.449   0.968   2.072
  981    HA   VAL 122           HA       VAL 122  -8.210   2.706   2.861
  982    HB   VAL 122           HB       VAL 122  -9.988   4.447   1.143
  983   1HG1  VAL 122          1HG1      VAL 122  -8.647   6.243   1.591
  984   2HG1  VAL 122          2HG1      VAL 122  -7.251   5.242   1.991
  985   3HG1  VAL 122          3HG1      VAL 122  -8.574   5.411   3.144
  986   1HG2  VAL 122          1HG2      VAL 122  -8.010   2.579   0.412
  987   2HG2  VAL 122          2HG2      VAL 122  -7.308   4.180   0.186
  988   3HG2  VAL 122          3HG2      VAL 122  -8.822   3.760  -0.615
  989    HA   PRO 123           HA       PRO 123 -10.623   3.771   6.428
  990   1HB   PRO 123          2HB       PRO 123  -8.395   5.549   7.162
  991   2HB   PRO 123          1HB       PRO 123  -9.012   4.121   7.996
  992   1HG   PRO 123          2HG       PRO 123  -6.649   4.095   6.732
  993   2HG   PRO 123          1HG       PRO 123  -7.707   2.671   6.762
  994   1HD   PRO 123          2HD       PRO 123  -7.296   4.681   4.576
  995   2HD   PRO 123          1HD       PRO 123  -7.424   2.912   4.469
  996    H    ASP 124           H        ASP 124  -9.665   6.485   7.555
  997    HA   ASP 124           HA       ASP 124 -10.325   8.653   7.568
  998   1HB   ASP 124          2HB       ASP 124  -9.736   9.644   5.655
  999   2HB   ASP 124          1HB       ASP 124  -9.799   8.093   4.823
 1000    HA   PRO 125           HA       PRO 125 -14.644   8.586   8.318
 1001   1HB   PRO 125          2HB       PRO 125 -15.372  11.181   7.885
 1002   2HB   PRO 125          1HB       PRO 125 -14.503  10.631   9.321
 1003   1HG   PRO 125          2HG       PRO 125 -13.430  11.917   6.837
 1004   2HG   PRO 125          1HG       PRO 125 -13.022  12.245   8.533
 1005   1HD   PRO 125          2HD       PRO 125 -11.438  10.740   6.972
 1006   2HD   PRO 125          1HD       PRO 125 -11.660  10.376   8.697
 1007    H    TRP 126           H        TRP 126 -13.584   9.838   5.231
 1008    HA   TRP 126           HA       TRP 126 -16.155  10.037   4.050
 1009   1HB   TRP 126          2HB       TRP 126 -14.217  11.227   3.142
 1010   2HB   TRP 126          1HB       TRP 126 -13.454   9.692   2.733
 1011    HD1  TRP 126           HD       TRP 126 -13.608   9.305   0.214
 1012    HE1  TRP 126           1HE      TRP 126 -15.374   9.696  -1.619
 1013    HE3  TRP 126           3HE      TRP 126 -17.248  11.511   3.048
 1014    HZ2  TRP 126           2HZ      TRP 126 -17.965  10.795  -1.833
 1015    HZ3  TRP 126           3HZ      TRP 126 -19.339  12.203   1.952
 1016    HH2  TRP 126           HH       TRP 126 -19.688  11.852  -0.438
 1017    H    TYR 127           H        TYR 127 -14.054   7.366   4.669
 1018    HA   TYR 127           HA       TYR 127 -15.729   5.659   2.948
 1019   1HB   TYR 127          2HB       TYR 127 -12.908   5.189   3.927
 1020   2HB   TYR 127          1HB       TYR 127 -13.851   4.042   2.983
 1021    HD1  TYR 127           1HD      TYR 127 -15.038   5.574   0.875
 1022    HD2  TYR 127           2HD      TYR 127 -11.187   6.021   2.636
 1023    HE1  TYR 127           1HE      TYR 127 -14.211   6.596  -1.202
 1024    HE2  TYR 127           2HE      TYR 127 -10.352   7.048   0.563
 1025    HH   TYR 127           HH       TYR 127 -12.488   7.522  -2.239
 1026    H    SER 128           H        SER 128 -14.594   6.225   6.179
 1027    HA   SER 128           HA       SER 128 -16.086   3.852   7.091
 1028   1HB   SER 128          2HB       SER 128 -14.031   5.067   8.865
 1029   2HB   SER 128          1HB       SER 128 -14.493   3.376   8.668
 1030    HG   SER 128           HG       SER 128 -12.982   4.912   6.819
 1031    H    GLY 129           H        GLY 129 -14.970   7.034   8.276
 1032   1HA   GLY 129          2HA       GLY 129 -16.960   8.552   8.780
 1033   2HA   GLY 129          1HA       GLY 129 -17.488   7.224   9.801
 1034    H    ASN 130           H        ASN 130 -14.140   7.435   9.849
 1035    HA   ASN 130           HA       ASN 130 -14.035   9.408  11.991
 1036   1HB   ASN 130          2HB       ASN 130 -14.549   6.994  12.863
 1037   2HB   ASN 130          1HB       ASN 130 -12.839   6.717  12.547
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.346   8.323  13.515
 1039   2HD2  ASN 130          2HD2      ASN 130 -11.714   8.901  15.102
 1040    H    PHE 131           H        PHE 131 -11.996  10.266  12.360
 1041    HA   PHE 131           HA       PHE 131 -10.138  10.021  10.179
 1042   1HB   PHE 131          2HB       PHE 131  -9.884  11.587  12.758
 1043   2HB   PHE 131          1HB       PHE 131  -8.889  11.787  11.320
 1044    HD1  PHE 131           1HD      PHE 131  -9.635  13.070   9.472
 1045    HD2  PHE 131           2HD      PHE 131 -12.267  12.244  12.713
 1046    HE1  PHE 131           1HE      PHE 131 -11.224  14.736   8.603
 1047    HE2  PHE 131           2HE      PHE 131 -13.861  13.907  11.850
 1048    HZ   PHE 131           HZ       PHE 131 -13.340  15.156   9.792
 1049    H    ASP 132           H        ASP 132 -10.146   9.244  13.619
 1050    HA   ASP 132           HA       ASP 132  -7.517   8.312  13.868
 1051   1HB   ASP 132          2HB       ASP 132  -8.147   7.946  15.995
 1052   2HB   ASP 132          1HB       ASP 132  -9.745   8.527  15.537
 1053    H    GLU 133           H        GLU 133 -10.250   6.961  12.293
 1054    HA   GLU 133           HA       GLU 133  -9.735   4.231  12.426
 1055   1HB   GLU 133          2HB       GLU 133 -11.761   4.782  11.410
 1056   2HB   GLU 133          1HB       GLU 133 -11.027   6.005  10.382
 1057   1HG   GLU 133          2HG       GLU 133 -11.116   4.521   8.744
 1058   2HG   GLU 133          1HG       GLU 133  -9.825   3.651   9.572
 1059    H    THR 134           H        THR 134  -8.376   6.730  10.340
 1060    HA   THR 134           HA       THR 134  -6.870   5.094   8.638
 1061    HB   THR 134           HB       THR 134  -5.583   7.633   9.378
 1062    HG1  THR 134           1HG      THR 134  -8.229   7.613   8.305
 1063   1HG2  THR 134          1HG2      THR 134  -6.324   7.764   6.748
 1064   2HG2  THR 134          2HG2      THR 134  -6.188   6.025   7.005
 1065   3HG2  THR 134          3HG2      THR 134  -4.812   7.075   7.340
 1066    H    TYR 135           H        TYR 135  -6.313   6.249  11.884
 1067    HA   TYR 135           HA       TYR 135  -3.564   5.657  12.093
 1068   1HB   TYR 135          2HB       TYR 135  -4.318   7.024  13.808
 1069   2HB   TYR 135          1HB       TYR 135  -5.796   6.102  14.035
 1070    HD1  TYR 135           1HD      TYR 135  -5.913   4.360  15.643
 1071    HD2  TYR 135           2HD      TYR 135  -2.156   6.120  14.706
 1072    HE1  TYR 135           1HE      TYR 135  -4.902   3.213  17.569
 1073    HE2  TYR 135           2HE      TYR 135  -1.133   4.979  16.628
 1074    HH   TYR 135           HH       TYR 135  -2.874   2.581  18.480
 1075    H    LYS 136           H        LYS 136  -6.363   3.837  13.346
 1076    HA   LYS 136           HA       LYS 136  -4.944   1.574  14.147
 1077   1HB   LYS 136          2HB       LYS 136  -7.525   2.374  14.343
 1078   2HB   LYS 136          1HB       LYS 136  -7.677   1.101  13.140
 1079   1HG   LYS 136          2HG       LYS 136  -8.035   0.036  15.186
 1080   2HG   LYS 136          1HG       LYS 136  -6.370  -0.364  14.761
 1081   1HD   LYS 136          2HD       LYS 136  -6.240   0.224  17.017
 1082   2HD   LYS 136          1HD       LYS 136  -5.734   1.689  16.173
 1083   1HE   LYS 136          2HE       LYS 136  -7.536   2.856  16.854
 1084   2HE   LYS 136          1HE       LYS 136  -8.622   1.479  16.672
 1085   1HZ   LYS 136          1HZ       LYS 136  -7.089   0.758  18.775
 1086   2HZ   LYS 136          2HZ       LYS 136  -8.622   1.464  18.889
 1087   3HZ   LYS 136          3HZ       LYS 136  -7.237   2.428  19.009
 1088    H    ILE 137           H        ILE 137  -6.655   2.155  11.084
 1089    HA   ILE 137           HA       ILE 137  -6.158  -0.352   9.942
 1090    HB   ILE 137           HB       ILE 137  -6.513   2.257   8.475
 1091   1HG1  ILE 137          2HG1      ILE 137  -8.317   1.819  10.116
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.892   1.753   8.453
 1093   1HG2  ILE 137          1HG2      ILE 137  -7.639  -0.074   7.216
 1094   2HG2  ILE 137          2HG2      ILE 137  -5.914  -0.293   7.512
 1095   3HG2  ILE 137          3HG2      ILE 137  -6.481   1.096   6.583
 1096   1HD1  ILE 137          1HD1      ILE 137  -8.615  -0.758   8.618
 1097   2HD1  ILE 137          2HD1      ILE 137  -9.920  -0.034   9.556
 1098   3HD1  ILE 137          3HD1      ILE 137  -8.422  -0.514  10.355
 1099    H    LEU 138           H        LEU 138  -4.529   2.715   9.083
 1100    HA   LEU 138           HA       LEU 138  -2.580   1.579   7.472
 1101   1HB   LEU 138          2HB       LEU 138  -2.983   4.158   8.810
 1102   2HB   LEU 138          1HB       LEU 138  -1.313   3.782   8.438
 1103    HG   LEU 138           HG       LEU 138  -1.708   3.734   6.124
 1104   1HD1  LEU 138          1HD1      LEU 138  -4.369   4.184   5.604
 1105   2HD1  LEU 138          2HD1      LEU 138  -4.414   3.014   6.922
 1106   3HD1  LEU 138          3HD1      LEU 138  -3.531   2.641   5.442
 1107   1HD2  LEU 138          1HD2      LEU 138  -3.487   5.899   7.233
 1108   2HD2  LEU 138          2HD2      LEU 138  -2.735   5.878   5.638
 1109   3HD2  LEU 138          3HD2      LEU 138  -1.732   5.987   7.085
 1110    H    SER 139           H        SER 139  -2.282   2.454  10.925
 1111    HA   SER 139           HA       SER 139   0.382   1.732  11.244
 1112   1HB   SER 139          2HB       SER 139  -1.023   2.945  12.924
 1113   2HB   SER 139          1HB       SER 139  -1.772   1.403  13.340
 1114    HG   SER 139           HG       SER 139   0.624   2.415  14.102
 1115    H    LEU 140           H        LEU 140  -2.499  -0.278  11.849
 1116    HA   LEU 140           HA       LEU 140  -1.073  -2.610  12.537
 1117   1HB   LEU 140          2HB       LEU 140  -3.671  -1.861  12.643
 1118   2HB   LEU 140          1HB       LEU 140  -3.715  -2.943  11.265
 1119    HG   LEU 140           HG       LEU 140  -2.263  -4.303  13.252
 1120   1HD1  LEU 140          1HD1      LEU 140  -2.955  -3.314  15.148
 1121   2HD1  LEU 140          2HD1      LEU 140  -4.426  -4.247  14.867
 1122   3HD1  LEU 140          3HD1      LEU 140  -4.345  -2.556  14.370
 1123   1HD2  LEU 140          1HD2      LEU 140  -4.182  -4.863  11.443
 1124   2HD2  LEU 140          2HD2      LEU 140  -5.126  -4.918  12.933
 1125   3HD2  LEU 140          3HD2      LEU 140  -3.712  -5.955  12.746
 1126    H    ALA 141           H        ALA 141  -2.740  -1.769   9.505
 1127    HA   ALA 141           HA       ALA 141  -2.075  -4.021   8.042
 1128   1HB   ALA 141          1HB       ALA 141  -2.866  -2.914   6.184
 1129   2HB   ALA 141          2HB       ALA 141  -2.210  -1.361   6.697
 1130   3HB   ALA 141          3HB       ALA 141  -3.640  -2.019   7.492
 1131    H    CYS 142           H        CYS 142  -0.308  -0.924   8.175
 1132    HA   CYS 142           HA       CYS 142   1.733  -1.655   6.391
 1133   1HB   CYS 142          2HB       CYS 142   1.129   0.573   8.073
 1134   2HB   CYS 142          1HB       CYS 142   2.811   0.126   8.330
 1135    HG   CYS 142           HG       CYS 142   3.477   1.701   6.401
 1136    H    LYS 143           H        LYS 143   1.422  -2.087   9.884
 1137    HA   LYS 143           HA       LYS 143   4.060  -2.907  10.401
 1138   1HB   LYS 143          2HB       LYS 143   1.681  -2.628  11.875
 1139   2HB   LYS 143          1HB       LYS 143   2.174  -4.304  12.080
 1140   1HG   LYS 143          2HG       LYS 143   4.072  -2.016  12.497
 1141   2HG   LYS 143          1HG       LYS 143   3.026  -2.625  13.781
 1142   1HD   LYS 143          2HD       LYS 143   4.693  -4.056  14.223
 1143   2HD   LYS 143          1HD       LYS 143   4.150  -4.923  12.785
 1144   1HE   LYS 143          2HE       LYS 143   6.084  -4.506  11.780
 1145   2HE   LYS 143          1HE       LYS 143   5.824  -2.772  11.964
 1146   1HZ   LYS 143          1HZ       LYS 143   7.815  -3.164  13.057
 1147   2HZ   LYS 143          2HZ       LYS 143   7.286  -4.616  13.746
 1148   3HZ   LYS 143          3HZ       LYS 143   6.695  -3.140  14.324
 1149    H    ASN 144           H        ASN 144   1.165  -4.981  10.141
 1150    HA   ASN 144           HA       ASN 144   2.503  -7.417  10.037
 1151   1HB   ASN 144          2HB       ASN 144  -0.125  -6.679   8.729
 1152   2HB   ASN 144          1HB       ASN 144   0.437  -8.319   9.036
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.689  -8.345  10.150
 1154   2HD2  ASN 144          2HD2      ASN 144  -1.728  -7.871  11.811
 1155    H    LEU 145           H        LEU 145   1.551  -5.236   7.427
 1156    HA   LEU 145           HA       LEU 145   2.313  -6.852   5.268
 1157   1HB   LEU 145          2HB       LEU 145   0.950  -4.871   4.955
 1158   2HB   LEU 145          1HB       LEU 145   2.250  -3.844   5.528
 1159    HG   LEU 145           HG       LEU 145   3.591  -4.748   3.523
 1160   1HD1  LEU 145          1HD1      LEU 145   0.814  -5.663   2.866
 1161   2HD1  LEU 145          2HD1      LEU 145   2.331  -6.559   2.769
 1162   3HD1  LEU 145          3HD1      LEU 145   1.985  -5.282   1.603
 1163   1HD2  LEU 145          1HD2      LEU 145   2.565  -2.455   3.817
 1164   2HD2  LEU 145          2HD2      LEU 145   1.206  -3.039   2.858
 1165   3HD2  LEU 145          3HD2      LEU 145   2.822  -2.981   2.154
 1166    H    LEU 146           H        LEU 146   4.130  -4.619   7.291
 1167    HA   LEU 146           HA       LEU 146   6.511  -4.608   5.772
 1168   1HB   LEU 146          2HB       LEU 146   5.588  -3.376   8.092
 1169   2HB   LEU 146          1HB       LEU 146   6.939  -4.352   8.634
 1170    HG   LEU 146           HG       LEU 146   7.699  -2.945   6.255
 1171   1HD1  LEU 146          1HD1      LEU 146   6.351  -1.138   6.519
 1172   2HD1  LEU 146          2HD1      LEU 146   7.626  -0.676   7.647
 1173   3HD1  LEU 146          3HD1      LEU 146   6.138  -1.409   8.249
 1174   1HD2  LEU 146          1HD2      LEU 146   8.807  -3.783   8.642
 1175   2HD2  LEU 146          2HD2      LEU 146   8.845  -2.023   8.757
 1176   3HD2  LEU 146          3HD2      LEU 146   9.612  -2.834   7.392
 1177    H    VAL 147           H        VAL 147   5.253  -6.729   8.266
 1178    HA   VAL 147           HA       VAL 147   7.604  -8.170   8.817
 1179    HB   VAL 147           HB       VAL 147   4.770  -9.213   8.920
 1180   1HG1  VAL 147          1HG1      VAL 147   5.594 -10.780  10.553
 1181   2HG1  VAL 147          2HG1      VAL 147   7.201 -10.058  10.491
 1182   3HG1  VAL 147          3HG1      VAL 147   6.565 -10.914   9.087
 1183   1HG2  VAL 147          1HG2      VAL 147   5.969  -8.336  11.425
 1184   2HG2  VAL 147          2HG2      VAL 147   4.369  -8.008  10.759
 1185   3HG2  VAL 147          3HG2      VAL 147   5.748  -7.024  10.268
 1186    H    PHE 148           H        PHE 148   4.863  -9.039   6.699
 1187    HA   PHE 148           HA       PHE 148   6.109 -11.316   5.587
 1188   1HB   PHE 148          2HB       PHE 148   3.591 -10.337   5.526
 1189   2HB   PHE 148          1HB       PHE 148   4.135  -9.872   3.919
 1190    HD1  PHE 148           1HD      PHE 148   4.592 -11.523   2.234
 1191    HD2  PHE 148           2HD      PHE 148   3.402 -12.678   6.153
 1192    HE1  PHE 148           1HE      PHE 148   4.149 -13.805   1.424
 1193    HE2  PHE 148           2HE      PHE 148   2.959 -14.961   5.351
 1194    HZ   PHE 148           HZ       PHE 148   3.332 -15.527   2.983
 1195    H    LEU 149           H        LEU 149   5.981  -7.943   4.566
 1196    HA   LEU 149           HA       LEU 149   7.190  -8.316   2.037
 1197   1HB   LEU 149          2HB       LEU 149   6.277  -6.261   1.986
 1198   2HB   LEU 149          1HB       LEU 149   6.381  -6.076   3.726
 1199    HG   LEU 149           HG       LEU 149   8.929  -5.651   3.233
 1200   1HD1  LEU 149          1HD1      LEU 149   8.404  -4.197   0.883
 1201   2HD1  LEU 149          2HD1      LEU 149   7.826  -5.840   0.606
 1202   3HD1  LEU 149          3HD1      LEU 149   9.498  -5.563   1.095
 1203   1HD2  LEU 149          1HD2      LEU 149   7.334  -3.338   2.372
 1204   2HD2  LEU 149          2HD2      LEU 149   8.475  -3.502   3.707
 1205   3HD2  LEU 149          3HD2      LEU 149   6.821  -4.087   3.884
 1206    H    SER 150           H        SER 150   8.472  -8.041   5.254
 1207    HA   SER 150           HA       SER 150  11.165  -7.487   4.360
 1208   1HB   SER 150          2HB       SER 150  11.771  -7.532   6.701
 1209   2HB   SER 150          1HB       SER 150  10.274  -6.617   6.524
 1210    HG   SER 150           HG       SER 150   9.354  -8.001   7.790
 1211    H    LYS 151           H        LYS 151  10.289  -9.741   3.099
 1212    HA   LYS 151           HA       LYS 151  10.797 -11.910   2.644
 1213   1HB   LYS 151          2HB       LYS 151  13.099 -10.693   2.930
 1214   2HB   LYS 151          1HB       LYS 151  13.227 -11.683   4.378
 1215   1HG   LYS 151          2HG       LYS 151  13.535 -13.592   3.211
 1216   2HG   LYS 151          1HG       LYS 151  12.474 -13.089   1.894
 1217   1HD   LYS 151          2HD       LYS 151  14.153 -12.100   0.740
 1218   2HD   LYS 151          1HD       LYS 151  14.978 -11.557   2.203
 1219   1HE   LYS 151          2HE       LYS 151  15.640 -13.956   2.585
 1220   2HE   LYS 151          1HE       LYS 151  15.024 -14.303   0.970
 1221   1HZ   LYS 151          1HZ       LYS 151  17.476 -13.018   1.764
 1222   2HZ   LYS 151          2HZ       LYS 151  16.649 -12.194   0.540
 1223   3HZ   LYS 151          3HZ       LYS 151  17.088 -13.812   0.321
 1224    H    HIS 152           H        HIS 152   8.944 -12.519   4.011
 1225    HA   HIS 152           HA       HIS 152   9.788 -13.913   6.465
 1226   1HB   HIS 152          2HB       HIS 152   7.711 -12.090   6.103
 1227   2HB   HIS 152          1HB       HIS 152   6.912 -13.659   6.137
 1228    HD1  HIS 152           1HD      HIS 152   9.767 -12.210   8.209
 1229    HD2  HIS 152           2HD      HIS 152   6.076 -14.063   8.668
 1230    HE1  HIS 152           1HE      HIS 152   9.450 -12.473  10.690
 1231    HE2  HIS 152           2HE      HIS 152   7.225 -13.628  10.943
 1232    H    HIS 153           H        HIS 153   9.853 -14.773   3.581
 1233    HA   HIS 153           HA       HIS 153   8.304 -17.257   3.915
 1234   1HB   HIS 153          2HB       HIS 153   8.074 -17.299   1.425
 1235   2HB   HIS 153          1HB       HIS 153   7.223 -15.962   2.191
 1236    HD1  HIS 153           1HD      HIS 153  10.677 -16.481   0.661
 1237    HD2  HIS 153           2HD      HIS 153   7.642 -13.651   0.870
 1238    HE1  HIS 153           1HE      HIS 153  11.459 -14.553  -0.749
 1239    HE2  HIS 153           2HE      HIS 153   9.647 -12.816  -0.535
 1240    H    HIS 154           H        HIS 154   9.281 -18.589   1.674
 1241    HA   HIS 154           HA       HIS 154  12.111 -18.943   2.407
 1242   1HB   HIS 154          2HB       HIS 154  11.722 -21.264   1.329
 1243   2HB   HIS 154          1HB       HIS 154  11.061 -20.966   2.931
 1244    HD1  HIS 154           1HD      HIS 154   8.511 -20.943   3.173
 1245    HD2  HIS 154           2HD      HIS 154   9.808 -21.491  -0.736
 1246    HE1  HIS 154           1HE      HIS 154   6.471 -21.638   1.879
 1247    HE2  HIS 154           2HE      HIS 154   7.294 -22.033  -0.470
 1248    H    HIS 155           H        HIS 155  13.623 -18.595   0.913
 1249    HA   HIS 155           HA       HIS 155  12.790 -17.851  -1.770
 1250   1HB   HIS 155          2HB       HIS 155  15.084 -17.056  -2.051
 1251   2HB   HIS 155          1HB       HIS 155  14.389 -16.424  -0.562
 1252    HD1  HIS 155           1HD      HIS 155  14.938 -18.618   1.418
 1253    HD2  HIS 155           2HD      HIS 155  17.693 -17.460  -1.469
 1254    HE1  HIS 155           1HE      HIS 155  17.179 -19.343   2.299
 1255    HE2  HIS 155           2HE      HIS 155  18.839 -18.552   0.576
 1256    H    HIS 156           H        HIS 156  14.432 -18.542  -3.557
 1257    HA   HIS 156           HA       HIS 156  15.523 -21.187  -3.289
 1258   1HB   HIS 156          2HB       HIS 156  14.069 -22.056  -5.221
 1259   2HB   HIS 156          1HB       HIS 156  13.334 -21.979  -3.622
 1260    HD1  HIS 156           1HD      HIS 156  13.692 -19.183  -6.171
 1261    HD2  HIS 156           2HD      HIS 156  10.752 -21.363  -4.203
 1262    HE1  HIS 156           1HE      HIS 156  11.511 -18.117  -6.829
 1263    HE2  HIS 156           2HE      HIS 156   9.748 -19.423  -5.590
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  16.500  -8.942  -7.167
    2   2H    MET   1          2HT       MET   1  16.552  -7.407  -6.459
    3   3H    MET   1          3HT       MET   1  17.605  -7.788  -7.726
    4    HA   MET   1           HA       MET   1  15.756  -6.375  -8.446
    5   1HB   MET   1          2HB       MET   1  15.729  -9.180  -9.577
    6   2HB   MET   1          1HB       MET   1  15.221  -7.720 -10.414
    7   1HG   MET   1          2HG       MET   1  17.282  -7.343 -11.106
    8   2HG   MET   1          1HG       MET   1  17.887  -7.379  -9.451
    9   1HE   MET   1          1HE       MET   1  16.103 -10.309 -11.392
   10   2HE   MET   1          2HE       MET   1  17.487 -11.127 -12.115
   11   3HE   MET   1          3HE       MET   1  17.052  -9.500 -12.640
   12    H    LYS   2           H        LYS   2  14.591  -6.903  -6.093
   13    HA   LYS   2           HA       LYS   2  12.098  -8.340  -6.659
   14   1HB   LYS   2          2HB       LYS   2  13.432  -7.459  -4.109
   15   2HB   LYS   2          1HB       LYS   2  11.745  -7.952  -4.139
   16   1HG   LYS   2          2HG       LYS   2  13.531  -9.848  -5.453
   17   2HG   LYS   2          1HG       LYS   2  13.884  -9.605  -3.740
   18   1HD   LYS   2          2HD       LYS   2  11.539 -10.083  -3.199
   19   2HD   LYS   2          1HD       LYS   2  11.202 -10.344  -4.911
   20   1HE   LYS   2          2HE       LYS   2  13.166 -11.931  -3.259
   21   2HE   LYS   2          1HE       LYS   2  11.532 -12.451  -3.670
   22   1HZ   LYS   2          1HZ       LYS   2  13.755 -12.970  -5.122
   23   2HZ   LYS   2          2HZ       LYS   2  13.087 -11.658  -5.954
   24   3HZ   LYS   2          3HZ       LYS   2  12.169 -13.057  -5.705
   25    H    LYS   3           H        LYS   3  10.414  -7.191  -7.315
   26    HA   LYS   3           HA       LYS   3  10.170  -4.404  -6.392
   27   1HB   LYS   3          2HB       LYS   3   9.943  -5.588  -9.088
   28   2HB   LYS   3          1HB       LYS   3   8.705  -4.410  -8.673
   29   1HG   LYS   3          2HG       LYS   3  10.752  -2.970  -7.917
   30   2HG   LYS   3          1HG       LYS   3  11.640  -4.042  -9.002
   31   1HD   LYS   3          2HD       LYS   3   9.119  -2.769  -9.963
   32   2HD   LYS   3          1HD       LYS   3  10.592  -1.800  -9.882
   33   1HE   LYS   3          2HE       LYS   3  10.107  -4.312 -11.465
   34   2HE   LYS   3          1HE       LYS   3  10.480  -2.701 -12.075
   35   1HZ   LYS   3          1HZ       LYS   3  12.434  -4.043 -12.196
   36   2HZ   LYS   3          2HZ       LYS   3  12.300  -4.501 -10.573
   37   3HZ   LYS   3          3HZ       LYS   3  12.669  -2.899 -10.971
   38    H    ILE   4           H        ILE   4   8.427  -3.973  -5.229
   39    HA   ILE   4           HA       ILE   4   6.147  -5.838  -5.380
   40    HB   ILE   4           HB       ILE   4   6.870  -4.016  -3.082
   41   1HG1  ILE   4          2HG1      ILE   4   7.232  -6.442  -2.053
   42   2HG1  ILE   4          1HG1      ILE   4   7.603  -6.833  -3.729
   43   1HG2  ILE   4          1HG2      ILE   4   4.759  -6.125  -3.457
   44   2HG2  ILE   4          2HG2      ILE   4   4.540  -4.422  -3.057
   45   3HG2  ILE   4          3HG2      ILE   4   5.242  -5.523  -1.872
   46   1HD1  ILE   4          1HD1      ILE   4   9.413  -5.972  -1.938
   47   2HD1  ILE   4          2HD1      ILE   4   8.933  -4.439  -2.667
   48   3HD1  ILE   4          3HD1      ILE   4   9.561  -5.738  -3.679
   49    H    LEU   5           H        LEU   5   4.661  -4.984  -6.706
   50    HA   LEU   5           HA       LEU   5   4.271  -2.125  -6.871
   51   1HB   LEU   5          2HB       LEU   5   3.751  -4.374  -8.534
   52   2HB   LEU   5          1HB       LEU   5   2.234  -3.541  -8.259
   53    HG   LEU   5           HG       LEU   5   4.749  -2.351  -9.430
   54   1HD1  LEU   5          1HD1      LEU   5   2.677  -1.961 -11.179
   55   2HD1  LEU   5          2HD1      LEU   5   2.345  -3.570 -10.538
   56   3HD1  LEU   5          3HD1      LEU   5   3.899  -3.227 -11.299
   57   1HD2  LEU   5          1HD2      LEU   5   4.007  -0.370  -8.752
   58   2HD2  LEU   5          2HD2      LEU   5   2.546  -1.091  -8.075
   59   3HD2  LEU   5          3HD2      LEU   5   2.588  -0.608  -9.772
   60    H    PHE   6           H        PHE   6   3.038  -1.081  -5.452
   61    HA   PHE   6           HA       PHE   6   0.914  -2.492  -4.031
   62   1HB   PHE   6          2HB       PHE   6   2.180   0.229  -3.695
   63   2HB   PHE   6          1HB       PHE   6   0.722  -0.230  -2.828
   64    HD1  PHE   6           1HD      PHE   6   3.216   0.629  -1.499
   65    HD2  PHE   6           2HD      PHE   6   1.918  -3.249  -2.680
   66    HE1  PHE   6           1HE      PHE   6   4.594  -0.369   0.273
   67    HE2  PHE   6           2HE      PHE   6   3.295  -4.250  -0.909
   68    HZ   PHE   6           HZ       PHE   6   4.635  -2.811   0.570
   69    H    ILE   7           H        ILE   7  -1.282  -1.885  -4.152
   70    HA   ILE   7           HA       ILE   7  -1.941   0.059  -6.261
   71    HB   ILE   7           HB       ILE   7  -3.561  -2.441  -5.946
   72   1HG1  ILE   7          2HG1      ILE   7  -1.277  -2.127  -7.899
   73   2HG1  ILE   7          1HG1      ILE   7  -1.132  -3.008  -6.383
   74   1HG2  ILE   7          1HG2      ILE   7  -4.753  -1.009  -7.267
   75   2HG2  ILE   7          2HG2      ILE   7  -3.784  -1.814  -8.501
   76   3HG2  ILE   7          3HG2      ILE   7  -3.311  -0.222  -7.907
   77   1HD1  ILE   7          1HD1      ILE   7  -2.243  -4.790  -7.168
   78   2HD1  ILE   7          2HD1      ILE   7  -1.774  -4.136  -8.737
   79   3HD1  ILE   7          3HD1      ILE   7  -3.382  -3.809  -8.091
   80    H    CYS   8           H        CYS   8  -2.870   1.671  -5.157
   81    HA   CYS   8           HA       CYS   8  -4.971   0.992  -3.214
   82   1HB   CYS   8          2HB       CYS   8  -3.887   3.746  -3.281
   83   2HB   CYS   8          1HB       CYS   8  -4.328   2.741  -1.904
   84    HG   CYS   8           HG       CYS   8  -1.352   3.235  -3.299
   85    H    LEU   9           H        LEU   9  -6.994   1.380  -3.819
   86    HA   LEU   9           HA       LEU   9  -7.733   2.430  -6.288
   87   1HB   LEU   9          2HB       LEU   9  -9.038   1.295  -4.081
   88   2HB   LEU   9          1HB       LEU   9  -9.799   2.857  -4.314
   89    HG   LEU   9           HG       LEU   9  -9.470   0.894  -6.571
   90   1HD1  LEU   9          1HD1      LEU   9 -11.147   0.634  -4.272
   91   2HD1  LEU   9          2HD1      LEU   9 -11.009  -0.424  -5.676
   92   3HD1  LEU   9          3HD1      LEU   9 -12.143   0.926  -5.698
   93   1HD2  LEU   9          1HD2      LEU   9 -10.634   2.354  -7.806
   94   2HD2  LEU   9          2HD2      LEU   9 -10.184   3.530  -6.572
   95   3HD2  LEU   9          3HD2      LEU   9 -11.750   2.724  -6.490
   96    H    GLY  10           H        GLY  10  -6.916   4.015  -3.353
   97   1HA   GLY  10          2HA       GLY  10  -7.433   6.603  -4.639
   98   2HA   GLY  10          1HA       GLY  10  -8.048   6.322  -3.016
   99    H    ASN  11           H        ASN  11  -5.190   6.790  -4.972
  100    HA   ASN  11           HA       ASN  11  -3.378   6.616  -2.747
  101   1HB   ASN  11          2HB       ASN  11  -2.800   6.086  -5.166
  102   2HB   ASN  11          1HB       ASN  11  -2.797   7.821  -5.452
  103   1HD2  ASN  11          1HD2      ASN  11  -0.655   5.815  -5.627
  104   2HD2  ASN  11          2HD2      ASN  11   0.609   6.393  -4.600
  105    H    ILE  12           H        ILE  12  -5.271   8.322  -1.967
  106    HA   ILE  12           HA       ILE  12  -3.830  10.861  -1.821
  107    HB   ILE  12           HB       ILE  12  -6.056  12.060  -1.976
  108   1HG1  ILE  12          2HG1      ILE  12  -7.102   9.855  -3.648
  109   2HG1  ILE  12          1HG1      ILE  12  -7.140   9.581  -1.909
  110   1HG2  ILE  12          1HG2      ILE  12  -5.741  12.477  -4.204
  111   2HG2  ILE  12          2HG2      ILE  12  -5.493  10.778  -4.600
  112   3HG2  ILE  12          3HG2      ILE  12  -4.210  11.695  -3.812
  113   1HD1  ILE  12          1HD1      ILE  12  -8.638  11.276  -1.542
  114   2HD1  ILE  12          2HD1      ILE  12  -9.167  10.662  -3.108
  115   3HD1  ILE  12          3HD1      ILE  12  -8.197  12.133  -3.019
  116    H    CYS  13           H        CYS  13  -4.723   8.401  -0.108
  117    HA   CYS  13           HA       CYS  13  -5.231   9.973   2.272
  118   1HB   CYS  13          2HB       CYS  13  -7.474   9.337   1.230
  119   2HB   CYS  13          1HB       CYS  13  -7.081   7.678   1.666
  120    HG   CYS  13           HG       CYS  13  -7.185  10.192   3.977
  121    H    ARG  14           H        ARG  14  -5.606   6.512   1.489
  122    HA   ARG  14           HA       ARG  14  -4.004   5.786   3.764
  123   1HB   ARG  14          2HB       ARG  14  -4.500   3.493   3.167
  124   2HB   ARG  14          1HB       ARG  14  -5.967   4.455   3.079
  125   1HG   ARG  14          2HG       ARG  14  -5.972   4.426   0.729
  126   2HG   ARG  14          1HG       ARG  14  -4.303   3.857   0.654
  127   1HD   ARG  14          2HD       ARG  14  -5.632   1.939   2.166
  128   2HD   ARG  14          1HD       ARG  14  -6.767   2.351   0.882
  129    HE   ARG  14           HE       ARG  14  -5.422   1.237  -0.579
  130   1HH1  ARG  14          1HH1      ARG  14  -3.527   2.108   2.213
  131   2HH1  ARG  14          2HH1      ARG  14  -2.117   1.256   1.681
  132   1HH2  ARG  14          1HH2      ARG  14  -3.568   0.111  -1.286
  133   2HH2  ARG  14          2HH2      ARG  14  -2.140   0.121  -0.306
  134    H    SER  15           H        SER  15  -3.605   5.724   0.252
  135    HA   SER  15           HA       SER  15  -1.197   4.316   0.137
  136   1HB   SER  15          2HB       SER  15  -2.667   4.940  -1.807
  137   2HB   SER  15          1HB       SER  15  -1.969   6.558  -1.725
  138    HG   SER  15           HG       SER  15  -0.997   4.685  -3.104
  139    HA   PRO  16           HA       PRO  16   1.035   8.685   0.309
  140   1HB   PRO  16          2HB       PRO  16  -0.306  10.519   1.863
  141   2HB   PRO  16          1HB       PRO  16  -0.348  10.485   0.098
  142   1HG   PRO  16          2HG       PRO  16  -2.325   9.400   2.062
  143   2HG   PRO  16          1HG       PRO  16  -2.615  10.276   0.547
  144   1HD   PRO  16          2HD       PRO  16  -2.886   7.614   0.694
  145   2HD   PRO  16          1HD       PRO  16  -2.228   8.396  -0.759
  146    H    MET  17           H        MET  17  -1.051   7.744   3.031
  147    HA   MET  17           HA       MET  17   0.652   8.464   5.118
  148   1HB   MET  17          2HB       MET  17  -1.806   7.444   5.066
  149   2HB   MET  17          1HB       MET  17  -0.931   5.948   5.364
  150   1HG   MET  17          2HG       MET  17  -0.030   6.779   7.395
  151   2HG   MET  17          1HG       MET  17  -0.601   8.411   7.051
  152   1HE   MET  17          1HE       MET  17  -1.063   7.407   9.771
  153   2HE   MET  17          2HE       MET  17  -1.234   5.683   9.444
  154   3HE   MET  17          3HE       MET  17  -2.576   6.583  10.149
  155    H    ALA  18           H        ALA  18   0.249   5.234   3.663
  156    HA   ALA  18           HA       ALA  18   2.555   4.166   4.948
  157   1HB   ALA  18          1HB       ALA  18   1.506   2.299   4.362
  158   2HB   ALA  18          2HB       ALA  18   1.993   2.593   2.693
  159   3HB   ALA  18          3HB       ALA  18   0.438   3.188   3.276
  160    H    GLU  19           H        GLU  19   2.102   6.141   2.225
  161    HA   GLU  19           HA       GLU  19   4.195   5.337   0.542
  162   1HB   GLU  19          2HB       GLU  19   2.306   7.161   0.277
  163   2HB   GLU  19          1HB       GLU  19   3.542   8.235   0.914
  164   1HG   GLU  19          2HG       GLU  19   3.499   8.296  -1.503
  165   2HG   GLU  19          1HG       GLU  19   5.026   7.629  -0.921
  166    H    PHE  20           H        PHE  20   4.141   7.935   2.968
  167    HA   PHE  20           HA       PHE  20   6.971   8.311   2.896
  168   1HB   PHE  20          2HB       PHE  20   5.649  10.195   3.488
  169   2HB   PHE  20          1HB       PHE  20   4.801   9.296   4.743
  170    HD1  PHE  20           1HD      PHE  20   8.190  10.521   3.819
  171    HD2  PHE  20           2HD      PHE  20   5.503   9.450   6.941
  172    HE1  PHE  20           1HE      PHE  20   9.806  11.335   5.485
  173    HE2  PHE  20           2HE      PHE  20   7.115  10.263   8.613
  174    HZ   PHE  20           HZ       PHE  20   9.270  11.208   7.885
  175    H    ILE  21           H        ILE  21   4.750   6.704   5.168
  176    HA   ILE  21           HA       ILE  21   6.593   6.057   7.150
  177    HB   ILE  21           HB       ILE  21   4.218   4.415   6.265
  178   1HG1  ILE  21          2HG1      ILE  21   4.420   6.485   8.461
  179   2HG1  ILE  21          1HG1      ILE  21   3.726   6.789   6.871
  180   1HG2  ILE  21          1HG2      ILE  21   5.533   4.437   8.972
  181   2HG2  ILE  21          2HG2      ILE  21   5.927   3.261   7.717
  182   3HG2  ILE  21          3HG2      ILE  21   4.292   3.337   8.373
  183   1HD1  ILE  21          1HD1      ILE  21   2.477   5.731   9.182
  184   2HD1  ILE  21          2HD1      ILE  21   2.465   4.491   7.927
  185   3HD1  ILE  21          3HD1      ILE  21   1.771   6.079   7.604
  186    H    MET  22           H        MET  22   5.534   3.992   4.437
  187    HA   MET  22           HA       MET  22   7.276   1.874   4.928
  188   1HB   MET  22          2HB       MET  22   5.890   2.855   2.458
  189   2HB   MET  22          1HB       MET  22   7.025   1.515   2.364
  190   1HG   MET  22          2HG       MET  22   5.345   0.941   4.523
  191   2HG   MET  22          1HG       MET  22   4.296   1.536   3.237
  192   1HE   MET  22          1HE       MET  22   6.868  -1.733   4.008
  193   2HE   MET  22          2HE       MET  22   7.572  -0.214   3.453
  194   3HE   MET  22          3HE       MET  22   7.459  -1.586   2.352
  195    H    LYS  23           H        LYS  23   7.707   4.699   2.806
  196    HA   LYS  23           HA       LYS  23  10.157   4.089   1.705
  197   1HB   LYS  23          2HB       LYS  23   9.009   6.023   0.944
  198   2HB   LYS  23          1HB       LYS  23   8.979   6.728   2.553
  199   1HG   LYS  23          2HG       LYS  23  11.689   6.260   1.742
  200   2HG   LYS  23          1HG       LYS  23  10.834   7.192   0.511
  201   1HD   LYS  23          2HD       LYS  23  10.045   8.299   2.950
  202   2HD   LYS  23          1HD       LYS  23  11.778   8.012   3.113
  203   1HE   LYS  23          2HE       LYS  23  12.263   9.326   1.197
  204   2HE   LYS  23          1HE       LYS  23  10.562   9.398   0.735
  205   1HZ   LYS  23          1HZ       LYS  23  10.171  10.647   2.834
  206   2HZ   LYS  23          2HZ       LYS  23  11.145  11.463   1.718
  207   3HZ   LYS  23          3HZ       LYS  23  11.847  10.715   3.063
  208    H    ASP  24           H        ASP  24   9.457   5.383   4.905
  209    HA   ASP  24           HA       ASP  24  12.168   5.911   5.597
  210   1HB   ASP  24          2HB       ASP  24   9.663   6.442   6.709
  211   2HB   ASP  24          1HB       ASP  24  10.468   5.408   7.884
  212    H    LEU  25           H        LEU  25   9.941   3.302   6.569
  213    HA   LEU  25           HA       LEU  25  11.807   1.887   8.120
  214   1HB   LEU  25          2HB       LEU  25   9.103   1.484   7.128
  215   2HB   LEU  25          1HB       LEU  25  10.008  -0.014   7.225
  216    HG   LEU  25           HG       LEU  25   8.666   0.482   9.257
  217   1HD1  LEU  25          1HD1      LEU  25  10.148  -0.843  10.228
  218   2HD1  LEU  25          2HD1      LEU  25  11.149   0.562  10.593
  219   3HD1  LEU  25          3HD1      LEU  25  11.391  -0.326   9.089
  220   1HD2  LEU  25          1HD2      LEU  25   9.872   2.219  10.791
  221   2HD2  LEU  25          2HD2      LEU  25   8.676   2.753   9.611
  222   3HD2  LEU  25          3HD2      LEU  25  10.396   2.911   9.255
  223    H    VAL  26           H        VAL  26  10.883   1.468   4.712
  224    HA   VAL  26           HA       VAL  26  12.193  -0.905   4.185
  225    HB   VAL  26           HB       VAL  26  12.376  -0.154   1.830
  226   1HG1  VAL  26          1HG1      VAL  26   9.829   0.449   1.667
  227   2HG1  VAL  26          2HG1      VAL  26   9.844   0.057   3.387
  228   3HG1  VAL  26          3HG1      VAL  26  10.345  -1.150   2.202
  229   1HG2  VAL  26          1HG2      VAL  26  10.919   2.351   2.392
  230   2HG2  VAL  26          2HG2      VAL  26  12.101   1.979   1.137
  231   3HG2  VAL  26          3HG2      VAL  26  12.640   2.343   2.776
  232    H    LYS  27           H        LYS  27  13.541   2.370   4.215
  233    HA   LYS  27           HA       LYS  27  16.037   1.842   3.135
  234   1HB   LYS  27          2HB       LYS  27  15.174   4.095   3.662
  235   2HB   LYS  27          1HB       LYS  27  15.381   3.762   5.375
  236   1HG   LYS  27          2HG       LYS  27  17.593   4.137   5.314
  237   2HG   LYS  27          1HG       LYS  27  17.785   3.377   3.732
  238   1HD   LYS  27          2HD       LYS  27  18.240   5.592   3.253
  239   2HD   LYS  27          1HD       LYS  27  16.520   5.484   2.870
  240   1HE   LYS  27          2HE       LYS  27  16.988   7.494   4.158
  241   2HE   LYS  27          1HE       LYS  27  15.974   6.385   5.080
  242   1HZ   LYS  27          1HZ       LYS  27  18.919   6.560   5.393
  243   2HZ   LYS  27          2HZ       LYS  27  17.832   5.718   6.377
  244   3HZ   LYS  27          3HZ       LYS  27  17.821   7.408   6.363
  245    H    LYS  28           H        LYS  28  14.782   1.095   6.296
  246    HA   LYS  28           HA       LYS  28  17.236   0.673   7.621
  247   1HB   LYS  28          2HB       LYS  28  15.181   1.027   8.848
  248   2HB   LYS  28          1HB       LYS  28  14.494  -0.448   8.183
  249   1HG   LYS  28          2HG       LYS  28  17.021  -0.936   9.514
  250   2HG   LYS  28          1HG       LYS  28  15.833  -0.189  10.584
  251   1HD   LYS  28          2HD       LYS  28  15.206  -2.581   8.867
  252   2HD   LYS  28          1HD       LYS  28  15.846  -2.724  10.504
  253   1HE   LYS  28          2HE       LYS  28  13.901  -1.264  11.233
  254   2HE   LYS  28          1HE       LYS  28  13.228  -1.534   9.626
  255   1HZ   LYS  28          1HZ       LYS  28  13.266  -3.918  10.060
  256   2HZ   LYS  28          2HZ       LYS  28  12.333  -3.106  11.214
  257   3HZ   LYS  28          3HZ       LYS  28  13.887  -3.644  11.610
  258    H    ALA  29           H        ALA  29  14.977  -1.743   6.203
  259    HA   ALA  29           HA       ALA  29  17.284  -3.568   6.027
  260   1HB   ALA  29          1HB       ALA  29  14.508  -4.381   6.857
  261   2HB   ALA  29          2HB       ALA  29  15.877  -4.160   7.947
  262   3HB   ALA  29          3HB       ALA  29  15.920  -5.430   6.724
  263    H    ASN  30           H        ASN  30  15.951  -1.910   3.930
  264    HA   ASN  30           HA       ASN  30  15.392  -4.133   2.091
  265   1HB   ASN  30          2HB       ASN  30  13.694  -1.731   2.609
  266   2HB   ASN  30          1HB       ASN  30  13.785  -2.352   0.965
  267   1HD2  ASN  30          1HD2      ASN  30  12.448  -2.741   4.061
  268   2HD2  ASN  30          2HD2      ASN  30  11.563  -4.192   3.757
  269    H    LEU  31           H        LEU  31  15.892  -0.600   2.147
  270    HA   LEU  31           HA       LEU  31  17.013  -0.454  -0.434
  271   1HB   LEU  31          2HB       LEU  31  16.656   1.329   1.851
  272   2HB   LEU  31          1HB       LEU  31  18.128   1.657   0.959
  273    HG   LEU  31           HG       LEU  31  16.338   3.063   0.138
  274   1HD1  LEU  31          1HD1      LEU  31  17.884   1.326  -1.451
  275   2HD1  LEU  31          2HD1      LEU  31  17.208   2.894  -1.891
  276   3HD1  LEU  31          3HD1      LEU  31  16.288   1.421  -2.196
  277   1HD2  LEU  31          1HD2      LEU  31  14.249   2.366  -0.442
  278   2HD2  LEU  31          2HD2      LEU  31  14.616   1.160   0.791
  279   3HD2  LEU  31          3HD2      LEU  31  14.794   0.758  -0.917
  280    H    GLU  32           H        GLU  32  18.286  -1.443   2.594
  281    HA   GLU  32           HA       GLU  32  21.040  -0.970   2.101
  282   1HB   GLU  32          2HB       GLU  32  19.764  -3.049   3.889
  283   2HB   GLU  32          1HB       GLU  32  21.432  -2.501   3.967
  284   1HG   GLU  32          2HG       GLU  32  19.268  -0.483   4.235
  285   2HG   GLU  32          1HG       GLU  32  19.594  -1.562   5.592
  286    H    LYS  33           H        LYS  33  18.979  -3.842   1.751
  287    HA   LYS  33           HA       LYS  33  21.111  -5.321   0.459
  288   1HB   LYS  33          2HB       LYS  33  18.279  -5.969   1.240
  289   2HB   LYS  33          1HB       LYS  33  19.197  -7.039   0.189
  290   1HG   LYS  33          2HG       LYS  33  20.831  -7.425   1.879
  291   2HG   LYS  33          1HG       LYS  33  20.135  -6.174   2.910
  292   1HD   LYS  33          2HD       LYS  33  18.031  -7.529   2.988
  293   2HD   LYS  33          1HD       LYS  33  18.898  -8.814   2.144
  294   1HE   LYS  33          2HE       LYS  33  19.031  -9.369   4.425
  295   2HE   LYS  33          1HE       LYS  33  20.606  -8.688   4.018
  296   1HZ   LYS  33          1HZ       LYS  33  19.932  -6.596   4.987
  297   2HZ   LYS  33          2HZ       LYS  33  19.749  -7.837   6.123
  298   3HZ   LYS  33          3HZ       LYS  33  18.392  -7.207   5.334
  299    H    GLU  34           H        GLU  34  19.455  -2.869  -0.587
  300    HA   GLU  34           HA       GLU  34  18.906  -2.026  -2.614
  301   1HB   GLU  34          2HB       GLU  34  20.820  -4.078  -3.170
  302   2HB   GLU  34          1HB       GLU  34  19.604  -4.076  -4.439
  303   1HG   GLU  34          2HG       GLU  34  19.989  -1.533  -4.500
  304   2HG   GLU  34          1HG       GLU  34  21.473  -1.893  -3.619
  305    H    PHE  35           H        PHE  35  16.703  -2.497  -1.738
  306    HA   PHE  35           HA       PHE  35  15.313  -4.543  -3.335
  307   1HB   PHE  35          2HB       PHE  35  14.822  -3.365  -0.642
  308   2HB   PHE  35          1HB       PHE  35  13.420  -3.849  -1.592
  309    HD1  PHE  35           1HD      PHE  35  12.600  -5.919  -1.085
  310    HD2  PHE  35           2HD      PHE  35  16.798  -5.260  -0.827
  311    HE1  PHE  35           1HE      PHE  35  12.918  -8.252  -0.372
  312    HE2  PHE  35           2HE      PHE  35  17.122  -7.594  -0.114
  313    HZ   PHE  35           HZ       PHE  35  15.181  -9.093   0.114
  314    H    PHE  36           H        PHE  36  13.099  -3.934  -4.097
  315    HA   PHE  36           HA       PHE  36  12.921  -1.065  -4.732
  316   1HB   PHE  36          2HB       PHE  36  12.273  -3.274  -6.686
  317   2HB   PHE  36          1HB       PHE  36  12.308  -1.543  -7.005
  318    HD1  PHE  36           1HD      PHE  36  14.531  -0.342  -6.851
  319    HD2  PHE  36           2HD      PHE  36  14.185  -4.582  -6.940
  320    HE1  PHE  36           1HE      PHE  36  16.888  -0.516  -7.533
  321    HE2  PHE  36           2HE      PHE  36  16.542  -4.765  -7.620
  322    HZ   PHE  36           HZ       PHE  36  17.897  -2.730  -7.918
  323    H    ILE  37           H        ILE  37  11.057  -0.181  -4.220
  324    HA   ILE  37           HA       ILE  37   8.667  -1.895  -4.005
  325    HB   ILE  37           HB       ILE  37   7.865  -0.329  -2.234
  326   1HG1  ILE  37          2HG1      ILE  37  10.286   0.698  -1.261
  327   2HG1  ILE  37          1HG1      ILE  37  10.299   1.049  -2.986
  328   1HG2  ILE  37          1HG2      ILE  37   9.566  -1.169  -0.490
  329   2HG2  ILE  37          2HG2      ILE  37  10.316  -2.004  -1.851
  330   3HG2  ILE  37          3HG2      ILE  37   8.644  -2.357  -1.413
  331   1HD1  ILE  37          1HD1      ILE  37   9.099   2.557  -1.040
  332   2HD1  ILE  37          2HD1      ILE  37   7.750   1.655  -1.731
  333   3HD1  ILE  37          3HD1      ILE  37   8.771   2.648  -2.771
  334    H    ASN  38           H        ASN  38   6.704  -1.019  -4.697
  335    HA   ASN  38           HA       ASN  38   6.801   1.626  -5.966
  336   1HB   ASN  38          2HB       ASN  38   5.498  -0.709  -7.356
  337   2HB   ASN  38          1HB       ASN  38   5.905   0.870  -8.020
  338   1HD2  ASN  38          1HD2      ASN  38   6.925  -2.317  -7.514
  339   2HD2  ASN  38          2HD2      ASN  38   8.532  -2.158  -8.130
  340    H    SER  39           H        SER  39   4.603   2.398  -6.589
  341    HA   SER  39           HA       SER  39   2.325   1.213  -5.308
  342   1HB   SER  39          2HB       SER  39   2.765   2.187  -3.295
  343   2HB   SER  39          1HB       SER  39   3.827   3.405  -4.002
  344    HG   SER  39           HG       SER  39   2.099   4.652  -4.482
  345    H    ALA  40           H        ALA  40   0.470   1.862  -6.276
  346    HA   ALA  40           HA       ALA  40   0.188   4.399  -7.563
  347   1HB   ALA  40          1HB       ALA  40  -0.053   2.224  -9.554
  348   2HB   ALA  40          2HB       ALA  40   1.578   2.719  -9.102
  349   3HB   ALA  40          3HB       ALA  40   0.448   3.902  -9.758
  350    H    GLY  41           H        GLY  41  -1.904   4.417  -8.920
  351   1HA   GLY  41          2HA       GLY  41  -3.939   3.050  -7.325
  352   2HA   GLY  41          1HA       GLY  41  -4.209   4.413  -8.400
  353    H    THR  42           H        THR  42  -6.023   2.583  -8.687
  354    HA   THR  42           HA       THR  42  -5.389   0.396 -10.376
  355    HB   THR  42           HB       THR  42  -8.123   1.362 -10.668
  356    HG1  THR  42           1HG      THR  42  -8.424   1.965  -8.669
  357   1HG2  THR  42          1HG2      THR  42  -7.474  -0.928 -11.133
  358   2HG2  THR  42          2HG2      THR  42  -8.617  -0.896  -9.791
  359   3HG2  THR  42          3HG2      THR  42  -6.896  -1.128  -9.479
  360    H    SER  43           H        SER  43  -6.798   3.600 -11.045
  361    HA   SER  43           HA       SER  43  -6.183   3.156 -13.895
  362   1HB   SER  43          2HB       SER  43  -8.128   5.251 -13.473
  363   2HB   SER  43          1HB       SER  43  -8.264   3.783 -14.440
  364    HG   SER  43           HG       SER  43  -9.761   3.497 -12.907
  365    H    GLY  44           H        GLY  44  -5.042   4.701 -11.298
  366   1HA   GLY  44          2HA       GLY  44  -3.746   6.557 -10.946
  367   2HA   GLY  44          1HA       GLY  44  -3.335   6.403 -12.644
  368    H    GLU  45           H        GLU  45  -6.647   6.973 -11.768
  369    HA   GLU  45           HA       GLU  45  -6.916   9.245 -13.361
  370   1HB   GLU  45          2HB       GLU  45  -8.603   8.654 -10.927
  371   2HB   GLU  45          1HB       GLU  45  -9.078   9.536 -12.372
  372   1HG   GLU  45          2HG       GLU  45  -8.970   7.514 -13.686
  373   2HG   GLU  45          1HG       GLU  45  -8.381   6.610 -12.292
  374    H    HIS  46           H        HIS  46  -7.109   9.227  -9.810
  375    HA   HIS  46           HA       HIS  46  -5.791  11.863  -9.804
  376   1HB   HIS  46          2HB       HIS  46  -8.065  10.779  -8.172
  377   2HB   HIS  46          1HB       HIS  46  -7.028  12.034  -7.503
  378    HD1  HIS  46           1HD      HIS  46  -8.928  11.526 -10.770
  379    HD2  HIS  46           2HD      HIS  46  -8.031  14.484  -7.993
  380    HE1  HIS  46           1HE      HIS  46 -10.112  13.592 -11.582
  381    HE2  HIS  46           2HE      HIS  46  -9.615  15.349  -9.847
  382    H    ASP  47           H        ASP  47  -5.899   8.648  -8.608
  383    HA   ASP  47           HA       ASP  47  -4.553   8.619  -6.257
  384   1HB   ASP  47          2HB       ASP  47  -3.566   6.692  -8.298
  385   2HB   ASP  47          1HB       ASP  47  -4.126   6.398  -6.653
  386    H    GLY  48           H        GLY  48  -2.783   9.648  -5.603
  387   1HA   GLY  48          2HA       GLY  48  -0.248   9.351  -6.091
  388   2HA   GLY  48          1HA       GLY  48  -0.669  10.228  -7.552
  389    H    GLU  49           H        GLU  49  -2.681  11.844  -6.073
  390    HA   GLU  49           HA       GLU  49  -1.051  14.046  -5.452
  391   1HB   GLU  49          2HB       GLU  49  -3.935  13.477  -4.749
  392   2HB   GLU  49          1HB       GLU  49  -3.150  15.032  -4.504
  393   1HG   GLU  49          2HG       GLU  49  -3.167  13.759  -7.206
  394   2HG   GLU  49          1HG       GLU  49  -4.578  14.639  -6.621
  395    H    GLY  50           H        GLY  50  -3.305  12.606  -3.111
  396   1HA   GLY  50          2HA       GLY  50  -2.650  11.647  -1.021
  397   2HA   GLY  50          1HA       GLY  50  -1.131  12.527  -1.130
  398    H    MET  51           H        MET  51  -4.624  12.937  -0.672
  399    HA   MET  51           HA       MET  51  -4.251  14.776   1.466
  400   1HB   MET  51          2HB       MET  51  -5.510  16.668   0.283
  401   2HB   MET  51          1HB       MET  51  -3.810  16.458  -0.111
  402   1HG   MET  51          2HG       MET  51  -4.285  15.553  -2.208
  403   2HG   MET  51          1HG       MET  51  -5.961  15.214  -1.780
  404   1HE   MET  51          1HE       MET  51  -7.512  16.075  -2.759
  405   2HE   MET  51          2HE       MET  51  -7.187  17.118  -4.143
  406   3HE   MET  51          3HE       MET  51  -7.984  17.774  -2.712
  407    H    HIS  52           H        HIS  52  -5.723  13.811   2.736
  408    HA   HIS  52           HA       HIS  52  -8.492  14.157   2.217
  409   1HB   HIS  52          2HB       HIS  52  -7.533  11.937   0.962
  410   2HB   HIS  52          1HB       HIS  52  -8.014  11.264   2.515
  411    HD1  HIS  52           1HD      HIS  52  -9.412  10.824  -0.353
  412    HD2  HIS  52           2HD      HIS  52 -10.769  13.219   2.760
  413    HE1  HIS  52           1HE      HIS  52 -11.891  11.047  -0.707
  414    HE2  HIS  52           2HE      HIS  52 -12.687  12.523   1.172
  415    H    TYR  53           H        TYR  53  -9.819  13.602   4.000
  416    HA   TYR  53           HA       TYR  53  -8.793  14.088   6.502
  417   1HB   TYR  53          2HB       TYR  53 -11.302  12.607   5.714
  418   2HB   TYR  53          1HB       TYR  53 -10.938  13.090   7.365
  419    HD1  TYR  53           1HD      TYR  53 -12.963  13.921   4.821
  420    HD2  TYR  53           2HD      TYR  53  -9.982  15.757   7.241
  421    HE1  TYR  53           1HE      TYR  53 -13.976  16.122   4.392
  422    HE2  TYR  53           2HE      TYR  53 -10.987  17.960   6.820
  423    HH   TYR  53           HH       TYR  53 -13.959  18.293   4.915
  424    H    GLY  54           H        GLY  54  -9.234  12.494   8.422
  425   1HA   GLY  54          2HA       GLY  54  -8.694  10.556   9.533
  426   2HA   GLY  54          1HA       GLY  54  -8.680   9.733   7.983
  427    H    THR  55           H        THR  55  -6.728   9.966   6.656
  428    HA   THR  55           HA       THR  55  -4.422   9.306   8.071
  429    HB   THR  55           HB       THR  55  -4.861  10.181   5.226
  430    HG1  THR  55           1HG      THR  55  -5.431   8.020   6.074
  431   1HG2  THR  55          1HG2      THR  55  -2.518   9.539   4.760
  432   2HG2  THR  55          2HG2      THR  55  -2.231   9.409   6.495
  433   3HG2  THR  55          3HG2      THR  55  -2.636  10.971   5.784
  434    H    LYS  56           H        LYS  56  -5.246  12.371   6.451
  435    HA   LYS  56           HA       LYS  56  -2.917  13.772   7.060
  436   1HB   LYS  56          2HB       LYS  56  -4.834  14.448   5.514
  437   2HB   LYS  56          1HB       LYS  56  -5.662  15.020   6.955
  438   1HG   LYS  56          2HG       LYS  56  -3.860  16.592   7.391
  439   2HG   LYS  56          1HG       LYS  56  -2.986  15.997   5.977
  440   1HD   LYS  56          2HD       LYS  56  -4.833  16.721   4.537
  441   2HD   LYS  56          1HD       LYS  56  -5.701  17.319   5.952
  442   1HE   LYS  56          2HE       LYS  56  -3.111  18.443   6.024
  443   2HE   LYS  56          1HE       LYS  56  -3.708  18.627   4.376
  444   1HZ   LYS  56          1HZ       LYS  56  -4.269  20.483   5.922
  445   2HZ   LYS  56          2HZ       LYS  56  -5.272  19.416   6.767
  446   3HZ   LYS  56          3HZ       LYS  56  -5.604  19.786   5.151
  447    H    ASN  57           H        ASN  57  -5.937  13.519   8.904
  448    HA   ASN  57           HA       ASN  57  -5.248  15.271  10.979
  449   1HB   ASN  57          2HB       ASN  57  -7.492  14.777  11.001
  450   2HB   ASN  57          1HB       ASN  57  -7.233  13.078  10.615
  451   1HD2  ASN  57          1HD2      ASN  57  -6.730  11.633  12.271
  452   2HD2  ASN  57          2HD2      ASN  57  -7.017  12.012  13.931
  453    H    LYS  58           H        LYS  58  -4.959  11.724  10.809
  454    HA   LYS  58           HA       LYS  58  -3.849  11.358  13.352
  455   1HB   LYS  58          2HB       LYS  58  -3.947   9.761  10.843
  456   2HB   LYS  58          1HB       LYS  58  -2.784   9.276  12.070
  457   1HG   LYS  58          2HG       LYS  58  -5.774   9.460  12.349
  458   2HG   LYS  58          1HG       LYS  58  -4.773   8.009  12.394
  459   1HD   LYS  58          2HD       LYS  58  -4.638  10.254  14.406
  460   2HD   LYS  58          1HD       LYS  58  -5.536   8.753  14.635
  461   1HE   LYS  58          2HE       LYS  58  -3.594   8.188  15.684
  462   2HE   LYS  58          1HE       LYS  58  -3.191   7.684  14.044
  463   1HZ   LYS  58          1HZ       LYS  58  -2.573  10.436  14.524
  464   2HZ   LYS  58          2HZ       LYS  58  -1.588   9.200  13.920
  465   3HZ   LYS  58          3HZ       LYS  58  -1.755   9.407  15.589
  466    H    LEU  59           H        LEU  59  -2.287  11.817  10.203
  467    HA   LEU  59           HA       LEU  59   0.360  11.630  11.167
  468   1HB   LEU  59          2HB       LEU  59  -0.679  13.093   8.739
  469   2HB   LEU  59          1HB       LEU  59   1.002  12.705   9.049
  470    HG   LEU  59           HG       LEU  59  -1.210  10.707   8.566
  471   1HD1  LEU  59          1HD1      LEU  59  -0.688  11.771   6.519
  472   2HD1  LEU  59          2HD1      LEU  59   0.170  10.231   6.515
  473   3HD1  LEU  59          3HD1      LEU  59   1.043  11.725   6.855
  474   1HD2  LEU  59          1HD2      LEU  59   0.634   9.995  10.143
  475   2HD2  LEU  59          2HD2      LEU  59   1.740  10.159   8.779
  476   3HD2  LEU  59          3HD2      LEU  59   0.416   8.997   8.706
  477    H    ALA  60           H        ALA  60  -1.934  14.266  10.906
  478    HA   ALA  60           HA       ALA  60  -0.176  16.410  11.350
  479   1HB   ALA  60          1HB       ALA  60  -3.080  16.190  12.144
  480   2HB   ALA  60          2HB       ALA  60  -2.485  16.692  10.561
  481   3HB   ALA  60          3HB       ALA  60  -2.151  17.682  11.982
  482    H    GLN  61           H        GLN  61  -1.726  14.136  13.504
  483    HA   GLN  61           HA       GLN  61  -1.419  15.419  15.947
  484   1HB   GLN  61          2HB       GLN  61  -2.431  13.052  15.217
  485   2HB   GLN  61          1HB       GLN  61  -0.891  12.497  15.860
  486   1HG   GLN  61          2HG       GLN  61  -1.876  14.298  17.751
  487   2HG   GLN  61          1HG       GLN  61  -3.263  13.333  17.247
  488   1HE2  GLN  61          1HE2      GLN  61  -2.224  10.902  16.789
  489   2HE2  GLN  61          2HE2      GLN  61  -1.538  10.244  18.231
  490    H    LEU  62           H        LEU  62   0.918  13.342  14.232
  491    HA   LEU  62           HA       LEU  62   3.059  14.609  15.764
  492   1HB   LEU  62          2HB       LEU  62   3.807  11.906  15.606
  493   2HB   LEU  62          1HB       LEU  62   3.454  12.843  17.045
  494    HG   LEU  62           HG       LEU  62   0.941  12.154  16.251
  495   1HD1  LEU  62          1HD1      LEU  62   2.368   9.580  15.905
  496   2HD1  LEU  62          2HD1      LEU  62   2.301  10.673  14.524
  497   3HD1  LEU  62          3HD1      LEU  62   0.809  10.106  15.273
  498   1HD2  LEU  62          1HD2      LEU  62   1.006  10.532  18.055
  499   2HD2  LEU  62          2HD2      LEU  62   1.897  11.986  18.504
  500   3HD2  LEU  62          3HD2      LEU  62   2.769  10.533  18.017
  501    H    ASN  63           H        ASN  63   2.215  12.346  13.163
  502    HA   ASN  63           HA       ASN  63   4.743  12.406  11.887
  503   1HB   ASN  63          2HB       ASN  63   2.067  11.846  10.586
  504   2HB   ASN  63          1HB       ASN  63   3.654  11.313  10.034
  505   1HD2  ASN  63          1HD2      ASN  63   0.960  10.579  11.929
  506   2HD2  ASN  63          2HD2      ASN  63   1.571   9.150  12.682
  507    H    ILE  64           H        ILE  64   4.106  12.940   9.209
  508    HA   ILE  64           HA       ILE  64   4.148  15.858   9.250
  509    HB   ILE  64           HB       ILE  64   4.478  14.160   6.792
  510   1HG1  ILE  64          2HG1      ILE  64   6.016  13.263   8.490
  511   2HG1  ILE  64          1HG1      ILE  64   6.891  14.083   7.202
  512   1HG2  ILE  64          1HG2      ILE  64   4.347  16.847   7.104
  513   2HG2  ILE  64          2HG2      ILE  64   5.191  16.035   5.785
  514   3HG2  ILE  64          3HG2      ILE  64   6.087  16.580   7.204
  515   1HD1  ILE  64          1HD1      ILE  64   6.403  16.009   9.189
  516   2HD1  ILE  64          2HD1      ILE  64   7.941  15.274   8.736
  517   3HD1  ILE  64          3HD1      ILE  64   6.960  14.552  10.012
  518    H    GLU  65           H        GLU  65   2.620  17.144   8.270
  519    HA   GLU  65           HA       GLU  65   0.010  16.368   8.157
  520   1HB   GLU  65          2HB       GLU  65   0.951  18.727   8.050
  521   2HB   GLU  65          1HB       GLU  65   1.101  18.472   6.317
  522   1HG   GLU  65          2HG       GLU  65  -1.179  18.439   5.986
  523   2HG   GLU  65          1HG       GLU  65  -1.523  18.007   7.661
  524    H    HIS  66           H        HIS  66   2.325  16.321   5.592
  525    HA   HIS  66           HA       HIS  66   1.296  14.129   4.246
  526   1HB   HIS  66          2HB       HIS  66  -0.156  16.561   3.666
  527   2HB   HIS  66          1HB       HIS  66   0.615  15.935   2.212
  528    HD1  HIS  66           1HD      HIS  66  -2.444  15.701   3.946
  529    HD2  HIS  66           2HD      HIS  66   0.015  12.931   2.064
  530    HE1  HIS  66           1HE      HIS  66  -3.907  13.710   3.481
  531    HE2  HIS  66           2HE      HIS  66  -2.423  12.088   2.250
  532    H    LYS  67           H        LYS  67   2.313  13.737   2.161
  533    HA   LYS  67           HA       LYS  67   4.247  15.475   1.057
  534   1HB   LYS  67          2HB       LYS  67   6.278  14.180   1.701
  535   2HB   LYS  67          1HB       LYS  67   5.534  15.033   3.046
  536   1HG   LYS  67          2HG       LYS  67   4.668  12.243   2.624
  537   2HG   LYS  67          1HG       LYS  67   6.328  12.485   3.174
  538   1HD   LYS  67          2HD       LYS  67   5.669  13.076   5.228
  539   2HD   LYS  67          1HD       LYS  67   4.411  14.145   4.604
  540   1HE   LYS  67          2HE       LYS  67   4.251  11.175   5.064
  541   2HE   LYS  67          1HE       LYS  67   3.338  12.444   5.877
  542   1HZ   LYS  67          1HZ       LYS  67   1.811  12.402   4.288
  543   2HZ   LYS  67          2HZ       LYS  67   2.560  11.020   3.663
  544   3HZ   LYS  67          3HZ       LYS  67   2.965  12.546   3.060
  545    H    ASN  68           H        ASN  68   5.939  13.921  -0.235
  546    HA   ASN  68           HA       ASN  68   6.155  12.554  -2.034
  547   1HB   ASN  68          2HB       ASN  68   4.353  10.885  -0.287
  548   2HB   ASN  68          1HB       ASN  68   4.970  10.301  -1.829
  549   1HD2  ASN  68          1HD2      ASN  68   5.493  10.317   1.403
  550   2HD2  ASN  68          2HD2      ASN  68   7.187   9.978   1.429
  551    H    PHE  69           H        PHE  69   4.842  14.440  -2.986
  552    HA   PHE  69           HA       PHE  69   2.178  13.642  -3.874
  553   1HB   PHE  69          2HB       PHE  69   3.718  16.190  -3.801
  554   2HB   PHE  69          1HB       PHE  69   2.507  16.012  -5.067
  555    HD1  PHE  69           1HD      PHE  69   2.831  15.421  -1.394
  556    HD2  PHE  69           2HD      PHE  69   0.408  16.791  -4.612
  557    HE1  PHE  69           1HE      PHE  69   1.072  16.054   0.205
  558    HE2  PHE  69           2HE      PHE  69  -1.356  17.427  -3.020
  559    HZ   PHE  69           HZ       PHE  69  -1.024  17.058  -0.607
  560    H    THR  70           H        THR  70   2.507  12.045  -5.383
  561    HA   THR  70           HA       THR  70   3.547  12.939  -7.952
  562    HB   THR  70           HB       THR  70   5.538  11.935  -7.497
  563    HG1  THR  70           1HG      THR  70   5.039   9.435  -7.923
  564   1HG2  THR  70          1HG2      THR  70   4.951  11.415  -5.160
  565   2HG2  THR  70          2HG2      THR  70   5.892  10.127  -5.910
  566   3HG2  THR  70          3HG2      THR  70   4.151   9.940  -5.703
  567    H    SER  71           H        SER  71   1.837  12.622  -9.215
  568    HA   SER  71           HA       SER  71  -0.244  10.815  -8.746
  569   1HB   SER  71          2HB       SER  71  -0.445  11.212 -11.420
  570   2HB   SER  71          1HB       SER  71  -0.996  12.375 -10.214
  571    HG   SER  71           HG       SER  71   0.504  13.691 -10.853
  572    H    LYS  72           H        LYS  72  -0.184   8.679  -8.790
  573    HA   LYS  72           HA       LYS  72   1.683   7.344 -10.628
  574   1HB   LYS  72          2HB       LYS  72   0.373   6.328  -8.101
  575   2HB   LYS  72          1HB       LYS  72   1.433   5.378  -9.134
  576   1HG   LYS  72          2HG       LYS  72   2.434   7.965  -8.059
  577   2HG   LYS  72          1HG       LYS  72   2.337   6.571  -6.981
  578   1HD   LYS  72          2HD       LYS  72   3.685   5.269  -8.578
  579   2HD   LYS  72          1HD       LYS  72   3.812   6.692  -9.613
  580   1HE   LYS  72          2HE       LYS  72   5.516   5.950  -7.525
  581   2HE   LYS  72          1HE       LYS  72   5.523   7.464  -8.426
  582   1HZ   LYS  72          1HZ       LYS  72   4.007   8.404  -6.808
  583   2HZ   LYS  72          2HZ       LYS  72   5.398   7.831  -6.035
  584   3HZ   LYS  72          3HZ       LYS  72   3.960   6.944  -5.953
  585    H    LYS  73           H        LYS  73   0.938   5.286 -11.584
  586    HA   LYS  73           HA       LYS  73  -1.909   4.815 -11.752
  587   1HB   LYS  73          2HB       LYS  73  -1.668   6.636 -13.363
  588   2HB   LYS  73          1HB       LYS  73  -0.376   5.770 -14.180
  589   1HG   LYS  73          2HG       LYS  73  -1.938   4.015 -14.822
  590   2HG   LYS  73          1HG       LYS  73  -3.239   4.857 -13.978
  591   1HD   LYS  73          2HD       LYS  73  -3.654   5.808 -15.966
  592   2HD   LYS  73          1HD       LYS  73  -2.249   6.816 -15.612
  593   1HE   LYS  73          2HE       LYS  73  -0.924   4.832 -16.675
  594   2HE   LYS  73          1HE       LYS  73  -2.480   4.435 -17.403
  595   1HZ   LYS  73          1HZ       LYS  73  -1.514   5.805 -18.964
  596   2HZ   LYS  73          2HZ       LYS  73  -0.799   6.818 -17.813
  597   3HZ   LYS  73          3HZ       LYS  73  -2.465   6.902 -18.093
  598    H    LEU  74           H        LEU  74  -1.400   2.730 -11.037
  599    HA   LEU  74           HA       LEU  74   0.579   1.056 -12.069
  600   1HB   LEU  74          2HB       LEU  74  -0.426   0.353 -10.077
  601   2HB   LEU  74          1HB       LEU  74  -2.047   0.546 -10.715
  602    HG   LEU  74           HG       LEU  74  -0.609  -1.443 -12.230
  603   1HD1  LEU  74          1HD1      LEU  74   0.200  -2.871 -10.701
  604   2HD1  LEU  74          2HD1      LEU  74  -1.077  -2.511  -9.538
  605   3HD1  LEU  74          3HD1      LEU  74   0.313  -1.434  -9.684
  606   1HD2  LEU  74          1HD2      LEU  74  -3.148  -0.936 -11.793
  607   2HD2  LEU  74          2HD2      LEU  74  -2.910  -2.035 -10.434
  608   3HD2  LEU  74          3HD2      LEU  74  -2.589  -2.585 -12.079
  609    H    THR  75           H        THR  75   0.826   0.175 -14.020
  610    HA   THR  75           HA       THR  75  -1.578  -0.336 -15.645
  611    HB   THR  75           HB       THR  75   0.904   0.278 -17.124
  612    HG1  THR  75           1HG      THR  75  -0.481   2.557 -16.371
  613   1HG2  THR  75          1HG2      THR  75  -1.733   1.583 -17.586
  614   2HG2  THR  75          2HG2      THR  75  -1.588  -0.146 -17.904
  615   3HG2  THR  75          3HG2      THR  75  -0.546   0.997 -18.751
  616    H    GLN  76           H        GLN  76  -0.697  -1.664 -17.720
  617    HA   GLN  76           HA       GLN  76  -0.048  -4.220 -16.725
  618   1HB   GLN  76          2HB       GLN  76   0.316  -4.716 -19.233
  619   2HB   GLN  76          1HB       GLN  76  -1.291  -4.240 -18.701
  620   1HG   GLN  76          2HG       GLN  76  -0.753  -1.910 -19.399
  621   2HG   GLN  76          1HG       GLN  76   0.753  -2.521 -20.083
  622   1HE2  GLN  76          1HE2      GLN  76   0.448  -2.294 -22.204
  623   2HE2  GLN  76          2HE2      GLN  76  -0.860  -2.979 -23.100
  624    H    LYS  77           H        LYS  77   1.862  -1.749 -18.386
  625    HA   LYS  77           HA       LYS  77   4.215  -3.226 -18.726
  626   1HB   LYS  77          2HB       LYS  77   3.392  -0.655 -19.301
  627   2HB   LYS  77          1HB       LYS  77   4.658  -0.402 -18.107
  628   1HG   LYS  77          2HG       LYS  77   5.990  -2.080 -19.613
  629   2HG   LYS  77          1HG       LYS  77   4.833  -1.564 -20.841
  630   1HD   LYS  77          2HD       LYS  77   6.336   0.077 -21.203
  631   2HD   LYS  77          1HD       LYS  77   5.558   0.828 -19.808
  632   1HE   LYS  77          2HE       LYS  77   7.926   0.903 -19.472
  633   2HE   LYS  77          1HE       LYS  77   7.249  -0.280 -18.354
  634   1HZ   LYS  77          1HZ       LYS  77   9.315  -0.693 -20.092
  635   2HZ   LYS  77          2HZ       LYS  77   8.007  -1.464 -20.838
  636   3HZ   LYS  77          3HZ       LYS  77   8.454  -1.891 -19.263
  637    H    LEU  78           H        LEU  78   3.191  -1.122 -16.051
  638    HA   LEU  78           HA       LEU  78   5.531  -1.450 -14.500
  639   1HB   LEU  78          2HB       LEU  78   2.732  -0.559 -13.905
  640   2HB   LEU  78          1HB       LEU  78   3.872  -0.806 -12.597
  641    HG   LEU  78           HG       LEU  78   4.494   1.009 -14.913
  642   1HD1  LEU  78          1HD1      LEU  78   3.874   2.728 -12.948
  643   2HD1  LEU  78          2HD1      LEU  78   2.703   1.453 -12.613
  644   3HD1  LEU  78          3HD1      LEU  78   2.734   2.227 -14.197
  645   1HD2  LEU  78          1HD2      LEU  78   5.514   1.494 -12.194
  646   2HD2  LEU  78          2HD2      LEU  78   6.330   1.611 -13.753
  647   3HD2  LEU  78          3HD2      LEU  78   6.112   0.037 -12.987
  648    H    CYS  79           H        CYS  79   2.486  -3.208 -14.667
  649    HA   CYS  79           HA       CYS  79   2.817  -4.838 -12.408
  650   1HB   CYS  79          2HB       CYS  79   0.675  -4.677 -13.527
  651   2HB   CYS  79          1HB       CYS  79   1.352  -5.355 -15.004
  652    HG   CYS  79           HG       CYS  79   0.914  -7.030 -12.050
  653    H    ASP  80           H        ASP  80   3.748  -5.326 -15.793
  654    HA   ASP  80           HA       ASP  80   4.794  -7.918 -15.499
  655   1HB   ASP  80          2HB       ASP  80   4.620  -5.949 -17.563
  656   2HB   ASP  80          1HB       ASP  80   6.277  -6.543 -17.499
  657    H    GLU  81           H        GLU  81   5.983  -4.863 -14.512
  658    HA   GLU  81           HA       GLU  81   8.763  -5.625 -14.430
  659   1HB   GLU  81          2HB       GLU  81   7.291  -3.252 -13.274
  660   2HB   GLU  81          1HB       GLU  81   9.033  -3.467 -13.195
  661   1HG   GLU  81          2HG       GLU  81   9.241  -3.312 -15.558
  662   2HG   GLU  81          1HG       GLU  81   7.493  -3.374 -15.773
  663    H    SER  82           H        SER  82   6.360  -4.801 -11.909
  664    HA   SER  82           HA       SER  82   7.954  -5.762  -9.779
  665   1HB   SER  82          2HB       SER  82   5.142  -4.858 -10.105
  666   2HB   SER  82          1HB       SER  82   5.509  -5.846  -8.691
  667    HG   SER  82           HG       SER  82   6.191  -4.038  -7.872
  668    H    ASP  83           H        ASP  83   7.834  -7.661  -8.594
  669    HA   ASP  83           HA       ASP  83   6.769  -9.942 -10.083
  670   1HB   ASP  83          2HB       ASP  83   9.087  -9.487  -8.394
  671   2HB   ASP  83          1HB       ASP  83   8.186 -10.911  -7.880
  672    H    PHE  84           H        PHE  84   6.218  -8.090  -7.231
  673    HA   PHE  84           HA       PHE  84   4.157 -10.030  -6.412
  674   1HB   PHE  84          2HB       PHE  84   6.094  -8.503  -4.684
  675   2HB   PHE  84          1HB       PHE  84   4.589  -9.152  -4.042
  676    HD1  PHE  84           1HD      PHE  84   7.913  -9.947  -5.303
  677    HD2  PHE  84           2HD      PHE  84   4.251 -11.549  -3.844
  678    HE1  PHE  84           1HE      PHE  84   9.006 -12.126  -4.963
  679    HE2  PHE  84           2HE      PHE  84   5.337 -13.730  -3.500
  680    HZ   PHE  84           HZ       PHE  84   7.718 -14.020  -4.058
  681    H    LEU  85           H        LEU  85   2.172  -9.223  -6.412
  682    HA   LEU  85           HA       LEU  85   1.841  -6.298  -6.361
  683   1HB   LEU  85          2HB       LEU  85  -0.237  -8.275  -7.266
  684   2HB   LEU  85          1HB       LEU  85  -0.155  -6.556  -7.602
  685    HG   LEU  85           HG       LEU  85   1.958  -8.417  -8.640
  686   1HD1  LEU  85          1HD1      LEU  85  -0.675  -8.812  -9.241
  687   2HD1  LEU  85          2HD1      LEU  85   0.683  -9.238 -10.283
  688   3HD1  LEU  85          3HD1      LEU  85  -0.164  -7.709 -10.518
  689   1HD2  LEU  85          1HD2      LEU  85   2.760  -6.502  -9.422
  690   2HD2  LEU  85          2HD2      LEU  85   1.351  -5.618  -8.835
  691   3HD2  LEU  85          3HD2      LEU  85   1.323  -6.360 -10.435
  692    H    ILE  86           H        ILE  86   0.570  -5.340  -4.842
  693    HA   ILE  86           HA       ILE  86  -0.925  -7.077  -3.007
  694    HB   ILE  86           HB       ILE  86   1.023  -4.931  -2.168
  695   1HG1  ILE  86          2HG1      ILE  86   0.979  -7.834  -1.357
  696   2HG1  ILE  86          1HG1      ILE  86   1.843  -7.280  -2.786
  697   1HG2  ILE  86          1HG2      ILE  86  -1.192  -5.048  -0.896
  698   2HG2  ILE  86          2HG2      ILE  86   0.295  -5.146   0.046
  699   3HG2  ILE  86          3HG2      ILE  86  -0.626  -6.609  -0.303
  700   1HD1  ILE  86          1HD1      ILE  86   3.578  -6.741  -1.536
  701   2HD1  ILE  86          2HD1      ILE  86   2.720  -7.319  -0.109
  702   3HD1  ILE  86          3HD1      ILE  86   2.581  -5.630  -0.596
  703    H    THR  87           H        THR  87  -2.933  -6.483  -2.961
  704    HA   THR  87           HA       THR  87  -3.622  -3.656  -3.381
  705    HB   THR  87           HB       THR  87  -5.965  -4.576  -3.760
  706    HG1  THR  87           1HG      THR  87  -6.241  -6.703  -3.849
  707   1HG2  THR  87          1HG2      THR  87  -3.662  -5.163  -5.598
  708   2HG2  THR  87          2HG2      THR  87  -4.835  -3.849  -5.681
  709   3HG2  THR  87          3HG2      THR  87  -5.327  -5.497  -6.071
  710    H    MET  88           H        MET  88  -5.231  -2.715  -2.013
  711    HA   MET  88           HA       MET  88  -5.484  -4.080   0.583
  712   1HB   MET  88          2HB       MET  88  -4.104  -1.753   0.113
  713   2HB   MET  88          1HB       MET  88  -5.671  -1.147   0.633
  714   1HG   MET  88          2HG       MET  88  -5.317  -1.724   2.752
  715   2HG   MET  88          1HG       MET  88  -4.662  -3.300   2.309
  716   1HE   MET  88          1HE       MET  88  -2.402  -3.663   1.342
  717   2HE   MET  88          2HE       MET  88  -0.961  -2.744   1.777
  718   3HE   MET  88          3HE       MET  88  -1.955  -2.231   0.414
  719    H    ASP  89           H        ASP  89  -7.058  -2.245  -1.915
  720    HA   ASP  89           HA       ASP  89  -9.486  -1.829  -0.410
  721   1HB   ASP  89          2HB       ASP  89  -9.547  -1.621  -3.366
  722   2HB   ASP  89          1HB       ASP  89 -10.159  -0.512  -2.142
  723    H    ASN  90           H        ASN  90 -11.274  -3.079  -0.402
  724    HA   ASN  90           HA       ASN  90 -11.119  -5.776  -1.087
  725   1HB   ASN  90          2HB       ASN  90 -13.472  -3.994  -0.473
  726   2HB   ASN  90          1HB       ASN  90 -13.654  -5.719  -0.778
  727   1HD2  ASN  90          1HD2      ASN  90 -11.770  -3.463   1.202
  728   2HD2  ASN  90          2HD2      ASN  90 -11.754  -4.451   2.619
  729    H    SER  91           H        SER  91 -12.916  -3.168  -2.721
  730    HA   SER  91           HA       SER  91 -13.871  -4.755  -4.840
  731   1HB   SER  91          2HB       SER  91 -13.422  -1.776  -4.604
  732   2HB   SER  91          1HB       SER  91 -14.173  -2.526  -6.012
  733    HG   SER  91           HG       SER  91 -15.634  -3.505  -4.336
  734    H    ASN  92           H        ASN  92 -10.896  -2.948  -4.390
  735    HA   ASN  92           HA       ASN  92  -9.946  -2.981  -7.022
  736   1HB   ASN  92          2HB       ASN  92  -9.039  -1.797  -4.869
  737   2HB   ASN  92          1HB       ASN  92  -8.072  -3.261  -4.703
  738   1HD2  ASN  92          1HD2      ASN  92  -8.658  -0.405  -6.575
  739   2HD2  ASN  92          2HD2      ASN  92  -7.222  -0.489  -7.532
  740    H    PHE  93           H        PHE  93  -9.938  -5.438  -4.535
  741    HA   PHE  93           HA       PHE  93  -8.009  -7.154  -5.674
  742   1HB   PHE  93          2HB       PHE  93  -8.691  -7.419  -3.363
  743   2HB   PHE  93          1HB       PHE  93 -10.348  -7.760  -3.853
  744    HD1  PHE  93           1HD      PHE  93  -6.935  -9.036  -4.686
  745    HD2  PHE  93           2HD      PHE  93 -10.972  -9.954  -3.698
  746    HE1  PHE  93           1HE      PHE  93  -6.410 -11.437  -4.787
  747    HE2  PHE  93           2HE      PHE  93 -10.453 -12.357  -3.795
  748    HZ   PHE  93           HZ       PHE  93  -8.170 -13.101  -4.340
  749    H    LYS  94           H        LYS  94 -11.564  -7.204  -5.856
  750    HA   LYS  94           HA       LYS  94 -11.741  -9.413  -7.593
  751   1HB   LYS  94          2HB       LYS  94 -13.536  -7.983  -6.169
  752   2HB   LYS  94          1HB       LYS  94 -13.844  -7.339  -7.775
  753   1HG   LYS  94          2HG       LYS  94 -14.637  -9.334  -8.575
  754   2HG   LYS  94          1HG       LYS  94 -13.713 -10.291  -7.415
  755   1HD   LYS  94          2HD       LYS  94 -15.908 -10.487  -6.656
  756   2HD   LYS  94          1HD       LYS  94 -15.233  -9.213  -5.637
  757   1HE   LYS  94          2HE       LYS  94 -16.266  -7.970  -7.954
  758   2HE   LYS  94          1HE       LYS  94 -17.487  -9.111  -7.390
  759   1HZ   LYS  94          1HZ       LYS  94 -17.643  -6.839  -6.418
  760   2HZ   LYS  94          2HZ       LYS  94 -16.175  -7.119  -5.627
  761   3HZ   LYS  94          3HZ       LYS  94 -17.522  -8.078  -5.271
  762    H    ASN  95           H        ASN  95 -11.464  -5.953  -8.188
  763    HA   ASN  95           HA       ASN  95 -11.978  -6.045 -10.969
  764   1HB   ASN  95          2HB       ASN  95 -11.174  -4.066  -9.012
  765   2HB   ASN  95          1HB       ASN  95 -10.291  -3.860 -10.521
  766   1HD2  ASN  95          1HD2      ASN  95 -13.565  -4.363  -9.274
  767   2HD2  ASN  95          2HD2      ASN  95 -14.353  -3.374 -10.451
  768    H    VAL  96           H        VAL  96  -8.895  -5.746  -9.198
  769    HA   VAL  96           HA       VAL  96  -7.233  -5.919 -11.442
  770    HB   VAL  96           HB       VAL  96  -6.578  -5.176  -9.109
  771   1HG1  VAL  96          1HG1      VAL  96  -7.168  -6.800  -7.607
  772   2HG1  VAL  96          2HG1      VAL  96  -5.475  -7.220  -7.867
  773   3HG1  VAL  96          3HG1      VAL  96  -6.744  -8.120  -8.698
  774   1HG2  VAL  96          1HG2      VAL  96  -4.527  -7.124  -9.968
  775   2HG2  VAL  96          2HG2      VAL  96  -4.394  -5.391  -9.664
  776   3HG2  VAL  96          3HG2      VAL  96  -5.081  -5.971 -11.182
  777    H    LEU  97           H        LEU  97  -8.887  -8.387  -9.653
  778    HA   LEU  97           HA       LEU  97  -7.301 -10.607 -10.307
  779   1HB   LEU  97          2HB       LEU  97  -9.298 -10.403  -8.678
  780   2HB   LEU  97          1HB       LEU  97 -10.289 -10.748 -10.082
  781    HG   LEU  97           HG       LEU  97  -8.311 -12.731 -10.081
  782   1HD1  LEU  97          1HD1      LEU  97  -9.527 -12.561  -7.339
  783   2HD1  LEU  97          2HD1      LEU  97  -7.906 -11.971  -7.704
  784   3HD1  LEU  97          3HD1      LEU  97  -8.294 -13.678  -7.923
  785   1HD2  LEU  97          1HD2      LEU  97 -11.230 -12.580  -9.494
  786   2HD2  LEU  97          2HD2      LEU  97 -10.373 -14.098  -9.232
  787   3HD2  LEU  97          3HD2      LEU  97 -10.388 -13.359 -10.833
  788    H    LYS  98           H        LYS  98  -9.944  -9.034 -12.035
  789    HA   LYS  98           HA       LYS  98  -9.567 -10.880 -14.288
  790   1HB   LYS  98          2HB       LYS  98 -11.869 -10.410 -13.263
  791   2HB   LYS  98          1HB       LYS  98 -11.752  -8.824 -14.012
  792   1HG   LYS  98          2HG       LYS  98 -11.162 -10.503 -16.094
  793   2HG   LYS  98          1HG       LYS  98 -12.377 -11.413 -15.192
  794   1HD   LYS  98          2HD       LYS  98 -12.731  -8.524 -15.963
  795   2HD   LYS  98          1HD       LYS  98 -13.256  -9.861 -16.989
  796   1HE   LYS  98          2HE       LYS  98 -14.120  -9.588 -14.121
  797   2HE   LYS  98          1HE       LYS  98 -15.000  -8.829 -15.446
  798   1HZ   LYS  98          1HZ       LYS  98 -14.400 -11.728 -15.413
  799   2HZ   LYS  98          2HZ       LYS  98 -15.532 -10.905 -16.361
  800   3HZ   LYS  98          3HZ       LYS  98 -15.797 -11.091 -14.700
  801    H    ASN  99           H        ASN  99  -8.541  -7.903 -13.242
  802    HA   ASN  99           HA       ASN  99  -8.672  -6.418 -15.673
  803   1HB   ASN  99          2HB       ASN  99  -8.201  -5.743 -13.094
  804   2HB   ASN  99          1HB       ASN  99  -6.557  -5.737 -13.724
  805   1HD2  ASN  99          1HD2      ASN  99  -9.700  -4.274 -13.894
  806   2HD2  ASN  99          2HD2      ASN  99  -9.223  -2.873 -14.786
  807    H    PHE 100           H        PHE 100  -6.081  -8.256 -14.065
  808    HA   PHE 100           HA       PHE 100  -4.426  -7.923 -16.464
  809   1HB   PHE 100          2HB       PHE 100  -3.761  -8.813 -13.659
  810   2HB   PHE 100          1HB       PHE 100  -2.616  -8.912 -14.991
  811    HD1  PHE 100           1HD      PHE 100  -3.269  -6.347 -16.392
  812    HD2  PHE 100           2HD      PHE 100  -2.760  -7.244 -12.261
  813    HE1  PHE 100           1HE      PHE 100  -2.590  -4.019 -15.973
  814    HE2  PHE 100           2HE      PHE 100  -2.081  -4.918 -11.837
  815    HZ   PHE 100           HZ       PHE 100  -1.996  -3.302 -13.693
  816    H    THR 101           H        THR 101  -2.860  -9.971 -16.639
  817    HA   THR 101           HA       THR 101  -4.455 -12.053 -17.700
  818    HB   THR 101           HB       THR 101  -2.279 -13.255 -18.012
  819    HG1  THR 101           1HG      THR 101  -1.480 -11.335 -16.236
  820   1HG2  THR 101          1HG2      THR 101  -3.205 -10.871 -19.227
  821   2HG2  THR 101          2HG2      THR 101  -2.197 -12.134 -19.933
  822   3HG2  THR 101          3HG2      THR 101  -1.448 -10.759 -19.120
  823    H    ASN 102           H        ASN 102  -3.216 -14.400 -17.073
  824    HA   ASN 102           HA       ASN 102  -4.546 -15.209 -14.736
  825   1HB   ASN 102          2HB       ASN 102  -3.779 -16.603 -16.771
  826   2HB   ASN 102          1HB       ASN 102  -2.241 -16.731 -15.923
  827   1HD2  ASN 102          1HD2      ASN 102  -5.670 -16.918 -15.021
  828   2HD2  ASN 102          2HD2      ASN 102  -5.535 -18.405 -14.152
  829    H    THR 103           H        THR 103  -2.075 -13.184 -14.696
  830    HA   THR 103           HA       THR 103  -0.482 -14.458 -12.623
  831    HB   THR 103           HB       THR 103   0.658 -13.110 -14.352
  832    HG1  THR 103           1HG      THR 103   0.944 -12.884 -11.690
  833   1HG2  THR 103          1HG2      THR 103   0.460 -10.660 -14.309
  834   2HG2  THR 103          2HG2      THR 103  -0.826 -10.791 -13.109
  835   3HG2  THR 103          3HG2      THR 103  -1.069 -11.428 -14.736
  836    H    GLN 104           H        GLN 104  -3.396 -13.243 -12.564
  837    HA   GLN 104           HA       GLN 104  -3.368 -11.194 -10.622
  838   1HB   GLN 104          2HB       GLN 104  -5.794 -12.163 -10.224
  839   2HB   GLN 104          1HB       GLN 104  -5.398 -11.279 -11.691
  840   1HG   GLN 104          2HG       GLN 104  -6.210 -13.010 -12.808
  841   2HG   GLN 104          1HG       GLN 104  -4.763 -13.889 -12.318
  842   1HE2  GLN 104          1HE2      GLN 104  -7.025 -15.267 -12.871
  843   2HE2  GLN 104          2HE2      GLN 104  -7.705 -15.914 -11.420
  844    H    ASN 105           H        ASN 105  -2.581 -14.440 -10.360
  845    HA   ASN 105           HA       ASN 105  -3.547 -14.881  -7.686
  846   1HB   ASN 105          2HB       ASN 105  -2.938 -16.606  -9.605
  847   2HB   ASN 105          1HB       ASN 105  -1.345 -16.524  -8.858
  848   1HD2  ASN 105          1HD2      ASN 105  -2.136 -18.886  -8.683
  849   2HD2  ASN 105          2HD2      ASN 105  -2.878 -19.301  -7.179
  850    H    LYS 106           H        LYS 106  -1.318 -12.826  -8.745
  851    HA   LYS 106           HA       LYS 106   0.614 -13.353  -6.595
  852   1HB   LYS 106          2HB       LYS 106   0.870 -12.410  -9.294
  853   2HB   LYS 106          1HB       LYS 106   1.479 -11.185  -8.190
  854   1HG   LYS 106          2HG       LYS 106   3.386 -12.319  -8.199
  855   2HG   LYS 106          1HG       LYS 106   2.560 -13.519  -7.204
  856   1HD   LYS 106          2HD       LYS 106   2.107 -14.898  -9.039
  857   2HD   LYS 106          1HD       LYS 106   2.393 -13.599 -10.200
  858   1HE   LYS 106          2HE       LYS 106   4.513 -14.841  -8.451
  859   2HE   LYS 106          1HE       LYS 106   4.210 -15.287 -10.130
  860   1HZ   LYS 106          1HZ       LYS 106   6.005 -13.498  -9.475
  861   2HZ   LYS 106          2HZ       LYS 106   4.670 -12.462  -9.539
  862   3HZ   LYS 106          3HZ       LYS 106   5.104 -13.364 -10.901
  863    H    VAL 107           H        VAL 107  -2.169 -11.869  -6.760
  864    HA   VAL 107           HA       VAL 107  -1.368  -9.293  -5.639
  865    HB   VAL 107           HB       VAL 107  -4.203 -10.233  -5.998
  866   1HG1  VAL 107          1HG1      VAL 107  -3.596  -7.455  -6.532
  867   2HG1  VAL 107          2HG1      VAL 107  -3.089  -7.940  -4.915
  868   3HG1  VAL 107          3HG1      VAL 107  -4.765  -8.160  -5.416
  869   1HG2  VAL 107          1HG2      VAL 107  -3.907 -10.320  -8.202
  870   2HG2  VAL 107          2HG2      VAL 107  -2.247  -9.744  -8.060
  871   3HG2  VAL 107          3HG2      VAL 107  -3.574  -8.588  -8.161
  872    H    LEU 108           H        LEU 108  -1.725  -8.674  -3.546
  873    HA   LEU 108           HA       LEU 108  -2.810 -10.725  -1.728
  874   1HB   LEU 108          2HB       LEU 108  -0.405  -8.948  -1.386
  875   2HB   LEU 108          1HB       LEU 108  -1.181  -9.742  -0.029
  876    HG   LEU 108           HG       LEU 108  -0.797 -11.920  -1.417
  877   1HD1  LEU 108          1HD1      LEU 108   0.411 -11.795  -3.272
  878   2HD1  LEU 108          2HD1      LEU 108   1.683 -10.900  -2.441
  879   3HD1  LEU 108          3HD1      LEU 108   0.323 -10.037  -3.157
  880   1HD2  LEU 108          1HD2      LEU 108   0.376 -10.934   0.731
  881   2HD2  LEU 108          2HD2      LEU 108   1.745 -10.786  -0.371
  882   3HD2  LEU 108          3HD2      LEU 108   1.006 -12.363  -0.088
  883    H    LYS 109           H        LYS 109  -4.658 -10.033  -0.911
  884    HA   LYS 109           HA       LYS 109  -5.227  -7.205  -0.638
  885   1HB   LYS 109          2HB       LYS 109  -7.460  -8.279   0.282
  886   2HB   LYS 109          1HB       LYS 109  -7.125  -8.219  -1.443
  887   1HG   LYS 109          2HG       LYS 109  -7.082 -10.438  -1.617
  888   2HG   LYS 109          1HG       LYS 109  -6.070 -10.616  -0.181
  889   1HD   LYS 109          2HD       LYS 109  -8.297 -10.000   1.070
  890   2HD   LYS 109          1HD       LYS 109  -9.044 -10.576  -0.423
  891   1HE   LYS 109          2HE       LYS 109  -6.996 -12.402   0.414
  892   2HE   LYS 109          1HE       LYS 109  -8.109 -12.104   1.748
  893   1HZ   LYS 109          1HZ       LYS 109  -9.942 -12.749   0.377
  894   2HZ   LYS 109          2HZ       LYS 109  -8.776 -13.972   0.306
  895   3HZ   LYS 109          3HZ       LYS 109  -8.951 -12.894  -0.987
  896    H    ILE 110           H        ILE 110  -5.690  -6.168   1.292
  897    HA   ILE 110           HA       ILE 110  -4.220  -6.987   3.555
  898    HB   ILE 110           HB       ILE 110  -4.829  -4.620   2.927
  899   1HG1  ILE 110          2HG1      ILE 110  -4.868  -3.847   5.219
  900   2HG1  ILE 110          1HG1      ILE 110  -5.492  -5.398   5.773
  901   1HG2  ILE 110          1HG2      ILE 110  -7.444  -5.363   4.229
  902   2HG2  ILE 110          2HG2      ILE 110  -7.202  -4.967   2.527
  903   3HG2  ILE 110          3HG2      ILE 110  -6.948  -3.736   3.763
  904   1HD1  ILE 110          1HD1      ILE 110  -2.869  -5.280   4.360
  905   2HD1  ILE 110          2HD1      ILE 110  -3.457  -6.446   5.547
  906   3HD1  ILE 110          3HD1      ILE 110  -2.980  -4.827   6.061
  907    H    THR 111           H        THR 111  -7.361  -7.825   2.503
  908    HA   THR 111           HA       THR 111  -8.686  -8.223   4.937
  909    HB   THR 111           HB       THR 111  -9.030  -9.996   2.521
  910    HG1  THR 111           1HG      THR 111 -10.785  -8.063   2.407
  911   1HG2  THR 111          1HG2      THR 111 -11.341  -9.032   4.064
  912   2HG2  THR 111          2HG2      THR 111 -10.252 -10.103   4.945
  913   3HG2  THR 111          3HG2      THR 111 -10.989 -10.641   3.435
  914    H    ASP 112           H        ASP 112  -6.463 -10.281   3.135
  915    HA   ASP 112           HA       ASP 112  -6.739 -12.490   4.968
  916   1HB   ASP 112          2HB       ASP 112  -5.902 -12.260   2.355
  917   2HB   ASP 112          1HB       ASP 112  -4.387 -12.499   3.218
  918    H    PHE 113           H        PHE 113  -5.200  -9.572   5.164
  919    HA   PHE 113           HA       PHE 113  -3.187 -10.652   7.023
  920   1HB   PHE 113          2HB       PHE 113  -2.936  -8.421   5.021
  921   2HB   PHE 113          1HB       PHE 113  -1.876  -8.517   6.424
  922    HD1  PHE 113           1HD      PHE 113  -2.907 -10.218   3.324
  923    HD2  PHE 113           2HD      PHE 113  -0.098 -10.078   6.518
  924    HE1  PHE 113           1HE      PHE 113  -1.452 -11.785   2.107
  925    HE2  PHE 113           2HE      PHE 113   1.363 -11.644   5.307
  926    HZ   PHE 113           HZ       PHE 113   0.687 -12.499   3.098
  927    H    SER 114           H        SER 114  -6.024  -9.342   7.130
  928    HA   SER 114           HA       SER 114  -5.424  -7.789   9.518
  929   1HB   SER 114          2HB       SER 114  -6.992  -6.705   7.173
  930   2HB   SER 114          1HB       SER 114  -7.049  -5.998   8.789
  931    HG   SER 114           HG       SER 114  -4.677  -6.367   7.281
  932    HA   PRO 115           HA       PRO 115  -8.733 -10.777  10.451
  933   1HB   PRO 115          2HB       PRO 115  -8.131  -9.743  13.171
  934   2HB   PRO 115          1HB       PRO 115  -8.255 -11.411  12.599
  935   1HG   PRO 115          2HG       PRO 115  -5.880 -10.331  13.122
  936   2HG   PRO 115          1HG       PRO 115  -6.100 -11.413  11.734
  937   1HD   PRO 115          2HD       PRO 115  -5.896  -8.429  11.801
  938   2HD   PRO 115          1HD       PRO 115  -5.216  -9.579  10.631
  939    H    SER 116           H        SER 116  -9.048  -8.631  13.155
  940    HA   SER 116           HA       SER 116 -11.764  -8.059  12.462
  941   1HB   SER 116          2HB       SER 116 -10.906  -6.412  14.627
  942   2HB   SER 116          1HB       SER 116 -11.930  -7.847  14.679
  943    HG   SER 116           HG       SER 116  -9.092  -7.811  14.748
  944    H    LEU 117           H        LEU 117  -9.208  -6.816  11.065
  945    HA   LEU 117           HA       LEU 117  -9.963  -4.002  11.258
  946   1HB   LEU 117          2HB       LEU 117  -7.553  -5.448  10.586
  947   2HB   LEU 117          1HB       LEU 117  -7.946  -4.284   9.334
  948    HG   LEU 117           HG       LEU 117  -7.443  -3.724  12.254
  949   1HD1  LEU 117          1HD1      LEU 117  -5.517  -2.608  11.558
  950   2HD1  LEU 117          2HD1      LEU 117  -6.056  -2.533   9.880
  951   3HD1  LEU 117          3HD1      LEU 117  -5.542  -4.072  10.574
  952   1HD2  LEU 117          1HD2      LEU 117  -7.726  -1.303  11.465
  953   2HD2  LEU 117          2HD2      LEU 117  -9.186  -2.251  11.752
  954   3HD2  LEU 117          3HD2      LEU 117  -8.613  -1.990  10.104
  955    H    ASN 118           H        ASN 118 -11.835  -5.785  10.099
  956    HA   ASN 118           HA       ASN 118 -11.755  -5.805   7.282
  957   1HB   ASN 118          2HB       ASN 118 -13.557  -6.634   9.346
  958   2HB   ASN 118          1HB       ASN 118 -14.462  -5.745   8.125
  959   1HD2  ASN 118          1HD2      ASN 118 -13.962  -6.399   5.838
  960   2HD2  ASN 118          2HD2      ASN 118 -13.787  -8.089   5.530
  961    H    TYR 119           H        TYR 119 -11.252  -3.787   6.458
  962    HA   TYR 119           HA       TYR 119 -13.275  -1.684   6.874
  963   1HB   TYR 119          2HB       TYR 119 -11.660  -0.053   6.776
  964   2HB   TYR 119          1HB       TYR 119 -10.727  -1.357   7.494
  965    HD1  TYR 119           1HD      TYR 119  -9.905  -3.021   5.308
  966    HD2  TYR 119           2HD      TYR 119 -10.321   1.213   5.405
  967    HE1  TYR 119           1HE      TYR 119  -8.255  -2.821   3.492
  968    HE2  TYR 119           2HE      TYR 119  -8.673   1.423   3.594
  969    HH   TYR 119           HH       TYR 119  -7.812  -0.925   1.608
  970    H    ASP 120           H        ASP 120 -13.366  -0.148   4.902
  971    HA   ASP 120           HA       ASP 120 -13.849  -1.827   2.567
  972   1HB   ASP 120          2HB       ASP 120 -15.449  -0.008   3.633
  973   2HB   ASP 120          1HB       ASP 120 -14.504   1.089   2.629
  974    H    GLU 121           H        GLU 121 -13.678   0.663   0.865
  975    HA   GLU 121           HA       GLU 121 -10.874   0.357   0.191
  976   1HB   GLU 121          2HB       GLU 121 -13.049   1.966  -1.158
  977   2HB   GLU 121          1HB       GLU 121 -11.432   1.708  -1.794
  978   1HG   GLU 121          2HG       GLU 121 -12.276  -0.030  -2.877
  979   2HG   GLU 121          1HG       GLU 121 -12.343  -0.846  -1.315
  980    H    VAL 122           H        VAL 122  -9.602   1.455   1.575
  981    HA   VAL 122           HA       VAL 122  -8.490   3.226   2.471
  982    HB   VAL 122           HB       VAL 122 -10.344   4.960   0.828
  983   1HG1  VAL 122          1HG1      VAL 122  -8.470   6.615   1.060
  984   2HG1  VAL 122          2HG1      VAL 122  -7.780   5.553   2.289
  985   3HG1  VAL 122          3HG1      VAL 122  -9.365   6.283   2.543
  986   1HG2  VAL 122          1HG2      VAL 122  -9.230   4.227  -0.949
  987   2HG2  VAL 122          2HG2      VAL 122  -8.163   3.254   0.064
  988   3HG2  VAL 122          3HG2      VAL 122  -7.766   4.939  -0.270
  989    HA   PRO 123           HA       PRO 123 -11.141   3.970   5.959
  990   1HB   PRO 123          2HB       PRO 123  -8.949   5.502   7.128
  991   2HB   PRO 123          1HB       PRO 123  -9.601   3.939   7.622
  992   1HG   PRO 123          2HG       PRO 123  -7.146   4.212   6.515
  993   2HG   PRO 123          1HG       PRO 123  -8.143   2.762   6.294
  994   1HD   PRO 123          2HD       PRO 123  -7.721   5.074   4.434
  995   2HD   PRO 123          1HD       PRO 123  -7.773   3.334   4.074
  996    H    ASP 124           H        ASP 124 -10.043   6.522   7.414
  997    HA   ASP 124           HA       ASP 124 -10.583   8.721   7.594
  998   1HB   ASP 124          2HB       ASP 124  -9.862   9.844   5.806
  999   2HB   ASP 124          1HB       ASP 124  -9.937   8.367   4.850
 1000    HA   PRO 125           HA       PRO 125 -14.921   8.894   8.203
 1001   1HB   PRO 125          2HB       PRO 125 -15.448  11.565   7.754
 1002   2HB   PRO 125          1HB       PRO 125 -14.813  10.895   9.259
 1003   1HG   PRO 125          2HG       PRO 125 -13.360  12.222   7.011
 1004   2HG   PRO 125          1HG       PRO 125 -13.103  12.375   8.759
 1005   1HD   PRO 125          2HD       PRO 125 -11.494  10.868   7.230
 1006   2HD   PRO 125          1HD       PRO 125 -11.920  10.387   8.887
 1007    H    TRP 126           H        TRP 126 -13.748  10.462   5.258
 1008    HA   TRP 126           HA       TRP 126 -16.199  10.730   3.937
 1009   1HB   TRP 126          2HB       TRP 126 -14.189  11.819   3.109
 1010   2HB   TRP 126          1HB       TRP 126 -13.438  10.259   2.791
 1011    HD1  TRP 126           HD       TRP 126 -13.753   9.304   0.422
 1012    HE1  TRP 126           1HE      TRP 126 -15.210   9.907  -1.613
 1013    HE3  TRP 126           3HE      TRP 126 -16.702  12.889   2.564
 1014    HZ2  TRP 126           2HZ      TRP 126 -17.326  11.665  -2.229
 1015    HZ3  TRP 126           3HZ      TRP 126 -18.419  13.983   1.182
 1016    HH2  TRP 126           HH       TRP 126 -18.723  13.383  -1.164
 1017    H    TYR 127           H        TYR 127 -14.269   7.933   4.563
 1018    HA   TYR 127           HA       TYR 127 -15.968   6.349   2.752
 1019   1HB   TYR 127          2HB       TYR 127 -13.198   5.780   3.810
 1020   2HB   TYR 127          1HB       TYR 127 -14.159   4.622   2.897
 1021    HD1  TYR 127           1HD      TYR 127 -15.167   5.787   0.625
 1022    HD2  TYR 127           2HD      TYR 127 -11.552   6.840   2.607
 1023    HE1  TYR 127           1HE      TYR 127 -14.289   6.710  -1.477
 1024    HE2  TYR 127           2HE      TYR 127 -10.663   7.771   0.512
 1025    HH   TYR 127           HH       TYR 127 -11.460   8.631  -1.603
 1026    H    SER 128           H        SER 128 -14.182   5.907   5.822
 1027    HA   SER 128           HA       SER 128 -16.063   3.874   6.655
 1028   1HB   SER 128          2HB       SER 128 -13.915   5.010   8.423
 1029   2HB   SER 128          1HB       SER 128 -14.566   3.371   8.378
 1030    HG   SER 128           HG       SER 128 -13.251   4.379   6.116
 1031    H    GLY 129           H        GLY 129 -14.932   6.950   8.101
 1032   1HA   GLY 129          2HA       GLY 129 -17.089   8.341   8.620
 1033   2HA   GLY 129          1HA       GLY 129 -17.383   6.998   9.712
 1034    H    ASN 130           H        ASN 130 -14.306   6.904  10.062
 1035    HA   ASN 130           HA       ASN 130 -14.106   9.227  11.860
 1036   1HB   ASN 130          2HB       ASN 130 -14.533   6.792  12.847
 1037   2HB   ASN 130          1HB       ASN 130 -12.787   6.675  12.650
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.535   8.518  13.571
 1039   2HD2  ASN 130          2HD2      ASN 130 -12.062   9.153  15.090
 1040    H    PHE 131           H        PHE 131 -11.854   9.719  12.518
 1041    HA   PHE 131           HA       PHE 131 -10.118   9.605  10.192
 1042   1HB   PHE 131          2HB       PHE 131  -9.274  10.967  12.706
 1043   2HB   PHE 131          1HB       PHE 131  -9.055  11.464  11.032
 1044    HD1  PHE 131           1HD      PHE 131 -10.818  12.648   9.843
 1045    HD2  PHE 131           2HD      PHE 131 -11.267  11.533  13.926
 1046    HE1  PHE 131           1HE      PHE 131 -12.718  14.198  10.054
 1047    HE2  PHE 131           2HE      PHE 131 -13.167  13.080  14.144
 1048    HZ   PHE 131           HZ       PHE 131 -13.895  14.415  12.206
 1049    H    ASP 132           H        ASP 132 -10.150   8.541  13.553
 1050    HA   ASP 132           HA       ASP 132  -7.533   7.640  13.800
 1051   1HB   ASP 132          2HB       ASP 132  -9.902   7.498  15.321
 1052   2HB   ASP 132          1HB       ASP 132  -9.331   5.840  15.151
 1053    H    GLU 133           H        GLU 133 -10.133   6.339  11.960
 1054    HA   GLU 133           HA       GLU 133  -9.480   3.639  11.838
 1055   1HB   GLU 133          2HB       GLU 133 -10.435   5.106   9.404
 1056   2HB   GLU 133          1HB       GLU 133 -10.862   3.496   9.963
 1057   1HG   GLU 133          2HG       GLU 133 -11.618   5.541  11.866
 1058   2HG   GLU 133          1HG       GLU 133 -12.338   5.808  10.277
 1059    H    THR 134           H        THR 134  -8.400   6.269   9.690
 1060    HA   THR 134           HA       THR 134  -6.850   4.886   7.914
 1061    HB   THR 134           HB       THR 134  -5.437   6.910   7.703
 1062    HG1  THR 134           1HG      THR 134  -5.940   7.305  10.173
 1063   1HG2  THR 134          1HG2      THR 134  -7.585   8.504   7.523
 1064   2HG2  THR 134          2HG2      THR 134  -8.398   6.944   7.661
 1065   3HG2  THR 134          3HG2      THR 134  -7.242   7.224   6.358
 1066    H    TYR 135           H        TYR 135  -5.887   5.969  11.149
 1067    HA   TYR 135           HA       TYR 135  -3.203   5.102  10.947
 1068   1HB   TYR 135          2HB       TYR 135  -3.768   6.726  12.614
 1069   2HB   TYR 135          1HB       TYR 135  -4.963   5.655  13.336
 1070    HD1  TYR 135           1HD      TYR 135  -4.363   4.609  15.297
 1071    HD2  TYR 135           2HD      TYR 135  -1.310   5.619  12.508
 1072    HE1  TYR 135           1HE      TYR 135  -2.664   3.757  16.856
 1073    HE2  TYR 135           2HE      TYR 135   0.397   4.768  14.060
 1074    HH   TYR 135           HH       TYR 135   0.795   3.848  16.038
 1075    H    LYS 136           H        LYS 136  -6.120   3.561  12.237
 1076    HA   LYS 136           HA       LYS 136  -4.935   1.317  13.373
 1077   1HB   LYS 136          2HB       LYS 136  -7.646   1.703  12.119
 1078   2HB   LYS 136          1HB       LYS 136  -7.179   0.214  12.929
 1079   1HG   LYS 136          2HG       LYS 136  -6.672   1.612  14.962
 1080   2HG   LYS 136          1HG       LYS 136  -7.449   2.957  14.125
 1081   1HD   LYS 136          2HD       LYS 136  -9.280   0.934  13.838
 1082   2HD   LYS 136          1HD       LYS 136  -8.627   0.636  15.451
 1083   1HE   LYS 136          2HE       LYS 136 -10.455   2.084  15.771
 1084   2HE   LYS 136          1HE       LYS 136  -9.019   3.098  15.907
 1085   1HZ   LYS 136          1HZ       LYS 136 -11.072   3.770  14.417
 1086   2HZ   LYS 136          2HZ       LYS 136 -10.238   2.852  13.266
 1087   3HZ   LYS 136          3HZ       LYS 136  -9.488   4.183  13.990
 1088    H    ILE 137           H        ILE 137  -6.374   1.542  10.108
 1089    HA   ILE 137           HA       ILE 137  -5.519  -1.043   9.328
 1090    HB   ILE 137           HB       ILE 137  -5.780   0.639   7.023
 1091   1HG1  ILE 137          2HG1      ILE 137  -6.995   2.085   8.748
 1092   2HG1  ILE 137          1HG1      ILE 137  -7.892   1.652   7.299
 1093   1HG2  ILE 137          1HG2      ILE 137  -6.386  -1.488   6.586
 1094   2HG2  ILE 137          2HG2      ILE 137  -7.985  -0.869   6.994
 1095   3HG2  ILE 137          3HG2      ILE 137  -7.047  -1.752   8.200
 1096   1HD1  ILE 137          1HD1      ILE 137  -9.378   1.424   9.104
 1097   2HD1  ILE 137          2HD1      ILE 137  -8.196   0.539  10.068
 1098   3HD1  ILE 137          3HD1      ILE 137  -8.918  -0.215   8.646
 1099    H    LEU 138           H        LEU 138  -4.245   2.177   8.463
 1100    HA   LEU 138           HA       LEU 138  -2.160   1.337   6.843
 1101   1HB   LEU 138          2HB       LEU 138  -2.715   3.768   8.446
 1102   2HB   LEU 138          1HB       LEU 138  -1.069   3.545   7.887
 1103    HG   LEU 138           HG       LEU 138  -2.365   4.952   6.356
 1104   1HD1  LEU 138          1HD1      LEU 138  -0.626   3.855   5.270
 1105   2HD1  LEU 138          2HD1      LEU 138  -2.034   3.489   4.273
 1106   3HD1  LEU 138          3HD1      LEU 138  -1.411   2.281   5.396
 1107   1HD2  LEU 138          1HD2      LEU 138  -4.565   3.868   6.833
 1108   2HD2  LEU 138          2HD2      LEU 138  -4.057   2.517   5.820
 1109   3HD2  LEU 138          3HD2      LEU 138  -4.235   4.127   5.120
 1110    H    SER 139           H        SER 139  -2.097   1.874  10.365
 1111    HA   SER 139           HA       SER 139   0.633   1.345  10.723
 1112   1HB   SER 139          2HB       SER 139  -1.243   2.259  12.372
 1113   2HB   SER 139          1HB       SER 139  -1.275   0.571  12.878
 1114    HG   SER 139           HG       SER 139   0.744   0.729  13.611
 1115    H    LEU 140           H        LEU 140  -2.138  -0.841  11.306
 1116    HA   LEU 140           HA       LEU 140  -0.632  -3.119  11.894
 1117   1HB   LEU 140          2HB       LEU 140  -3.361  -2.469  11.510
 1118   2HB   LEU 140          1HB       LEU 140  -3.020  -3.863  10.505
 1119    HG   LEU 140           HG       LEU 140  -1.848  -4.465  12.967
 1120   1HD1  LEU 140          1HD1      LEU 140  -4.593  -3.933  13.773
 1121   2HD1  LEU 140          2HD1      LEU 140  -3.660  -2.464  13.482
 1122   3HD1  LEU 140          3HD1      LEU 140  -3.081  -3.661  14.641
 1123   1HD2  LEU 140          1HD2      LEU 140  -3.827  -5.477  11.174
 1124   2HD2  LEU 140          2HD2      LEU 140  -4.398  -5.663  12.833
 1125   3HD2  LEU 140          3HD2      LEU 140  -2.846  -6.350  12.351
 1126    H    ALA 141           H        ALA 141  -2.223  -2.311   8.814
 1127    HA   ALA 141           HA       ALA 141  -1.327  -4.393   7.267
 1128   1HB   ALA 141          1HB       ALA 141  -1.337  -1.821   5.866
 1129   2HB   ALA 141          2HB       ALA 141  -2.789  -2.150   6.810
 1130   3HB   ALA 141          3HB       ALA 141  -2.271  -3.285   5.564
 1131    H    CYS 142           H        CYS 142   0.342  -1.314   7.870
 1132    HA   CYS 142           HA       CYS 142   2.490  -1.713   6.126
 1133   1HB   CYS 142          2HB       CYS 142   1.849   0.416   7.369
 1134   2HB   CYS 142          1HB       CYS 142   2.698  -0.255   8.758
 1135    HG   CYS 142           HG       CYS 142   5.116   0.274   7.989
 1136    H    LYS 143           H        LYS 143   2.226  -2.484   9.590
 1137    HA   LYS 143           HA       LYS 143   4.822  -3.521   9.870
 1138   1HB   LYS 143          2HB       LYS 143   3.035  -2.871  11.661
 1139   2HB   LYS 143          1HB       LYS 143   2.532  -4.548  11.505
 1140   1HG   LYS 143          2HG       LYS 143   5.022  -5.093  11.911
 1141   2HG   LYS 143          1HG       LYS 143   5.114  -3.442  12.525
 1142   1HD   LYS 143          2HD       LYS 143   2.989  -4.198  13.894
 1143   2HD   LYS 143          1HD       LYS 143   3.666  -5.805  13.618
 1144   1HE   LYS 143          2HE       LYS 143   4.434  -4.871  15.742
 1145   2HE   LYS 143          1HE       LYS 143   5.775  -5.100  14.620
 1146   1HZ   LYS 143          1HZ       LYS 143   6.151  -3.002  15.468
 1147   2HZ   LYS 143          2HZ       LYS 143   4.512  -2.589  15.502
 1148   3HZ   LYS 143          3HZ       LYS 143   5.337  -2.651  14.027
 1149    H    ASN 144           H        ASN 144   1.771  -5.366   9.756
 1150    HA   ASN 144           HA       ASN 144   2.817  -7.894   9.562
 1151   1HB   ASN 144          2HB       ASN 144   0.266  -6.635   9.014
 1152   2HB   ASN 144          1HB       ASN 144   0.575  -7.957   7.893
 1153   1HD2  ASN 144          1HD2      ASN 144  -0.496  -9.662   8.579
 1154   2HD2  ASN 144          2HD2      ASN 144  -0.533 -10.253  10.203
 1155    H    LEU 145           H        LEU 145   2.007  -5.735   6.850
 1156    HA   LEU 145           HA       LEU 145   2.786  -7.487   4.802
 1157   1HB   LEU 145          2HB       LEU 145   1.451  -5.287   4.676
 1158   2HB   LEU 145          1HB       LEU 145   3.016  -4.500   4.593
 1159    HG   LEU 145           HG       LEU 145   3.508  -5.965   2.580
 1160   1HD1  LEU 145          1HD1      LEU 145   1.120  -6.499   1.493
 1161   2HD1  LEU 145          2HD1      LEU 145   0.737  -6.776   3.192
 1162   3HD1  LEU 145          3HD1      LEU 145   2.044  -7.678   2.424
 1163   1HD2  LEU 145          1HD2      LEU 145   3.044  -3.660   2.244
 1164   2HD2  LEU 145          2HD2      LEU 145   1.320  -3.898   2.532
 1165   3HD2  LEU 145          3HD2      LEU 145   2.070  -4.553   1.077
 1166    H    LEU 146           H        LEU 146   4.611  -5.029   6.580
 1167    HA   LEU 146           HA       LEU 146   6.952  -5.089   5.050
 1168   1HB   LEU 146          2HB       LEU 146   6.077  -3.820   7.370
 1169   2HB   LEU 146          1HB       LEU 146   7.481  -4.739   7.877
 1170    HG   LEU 146           HG       LEU 146   7.845  -3.184   5.402
 1171   1HD1  LEU 146          1HD1      LEU 146   8.223  -1.091   6.735
 1172   2HD1  LEU 146          2HD1      LEU 146   7.350  -1.862   8.060
 1173   3HD1  LEU 146          3HD1      LEU 146   6.533  -1.554   6.528
 1174   1HD2  LEU 146          1HD2      LEU 146   9.745  -4.259   6.247
 1175   2HD2  LEU 146          2HD2      LEU 146   9.391  -3.772   7.905
 1176   3HD2  LEU 146          3HD2      LEU 146   9.939  -2.575   6.732
 1177    H    VAL 147           H        VAL 147   6.033  -6.996   7.896
 1178    HA   VAL 147           HA       VAL 147   8.463  -8.410   8.120
 1179    HB   VAL 147           HB       VAL 147   5.728  -9.325   9.017
 1180   1HG1  VAL 147          1HG1      VAL 147   7.963 -10.034  10.703
 1181   2HG1  VAL 147          2HG1      VAL 147   8.177 -10.648   9.063
 1182   3HG1  VAL 147          3HG1      VAL 147   6.728 -11.063   9.979
 1183   1HG2  VAL 147          1HG2      VAL 147   7.230  -8.270  11.162
 1184   2HG2  VAL 147          2HG2      VAL 147   5.733  -7.645  10.470
 1185   3HG2  VAL 147          3HG2      VAL 147   7.290  -7.086   9.858
 1186    H    PHE 148           H        PHE 148   5.338  -9.396   6.720
 1187    HA   PHE 148           HA       PHE 148   6.204 -11.909   5.810
 1188   1HB   PHE 148          2HB       PHE 148   3.834 -11.294   6.082
 1189   2HB   PHE 148          1HB       PHE 148   3.973 -10.177   4.729
 1190    HD1  PHE 148           1HD      PHE 148   4.585 -13.772   5.525
 1191    HD2  PHE 148           2HD      PHE 148   3.296 -10.898   2.663
 1192    HE1  PHE 148           1HE      PHE 148   3.997 -15.587   3.973
 1193    HE2  PHE 148           2HE      PHE 148   2.705 -12.708   1.105
 1194    HZ   PHE 148           HZ       PHE 148   3.054 -15.056   1.760
 1195    H    LEU 149           H        LEU 149   6.427  -8.721   4.384
 1196    HA   LEU 149           HA       LEU 149   6.972  -9.560   1.733
 1197   1HB   LEU 149          2HB       LEU 149   6.285  -7.229   2.596
 1198   2HB   LEU 149          1HB       LEU 149   7.995  -7.000   2.922
 1199    HG   LEU 149           HG       LEU 149   8.380  -7.563   0.461
 1200   1HD1  LEU 149          1HD1      LEU 149   5.395  -7.266   0.507
 1201   2HD1  LEU 149          2HD1      LEU 149   6.368  -8.549  -0.214
 1202   3HD1  LEU 149          3HD1      LEU 149   6.344  -6.943  -0.944
 1203   1HD2  LEU 149          1HD2      LEU 149   7.608  -5.150   1.771
 1204   2HD2  LEU 149          2HD2      LEU 149   6.984  -5.135   0.122
 1205   3HD2  LEU 149          3HD2      LEU 149   8.708  -5.371   0.409
 1206    H    SER 150           H        SER 150   9.153  -8.459   4.340
 1207    HA   SER 150           HA       SER 150  11.200 -10.272   3.413
 1208   1HB   SER 150          2HB       SER 150  12.676  -7.915   3.565
 1209   2HB   SER 150          1HB       SER 150  12.254  -8.792   2.093
 1210    HG   SER 150           HG       SER 150  10.401  -7.002   3.199
 1211    H    LYS 151           H        LYS 151  10.485 -10.923   5.631
 1212    HA   LYS 151           HA       LYS 151  12.460 -10.321   7.521
 1213   1HB   LYS 151          2HB       LYS 151  11.034  -8.184   7.566
 1214   2HB   LYS 151          1HB       LYS 151   9.804  -9.168   8.347
 1215   1HG   LYS 151          2HG       LYS 151  11.612  -9.767  10.046
 1216   2HG   LYS 151          1HG       LYS 151  12.523  -8.419   9.362
 1217   1HD   LYS 151          2HD       LYS 151   9.697  -8.128  10.351
 1218   2HD   LYS 151          1HD       LYS 151  11.096  -7.917  11.406
 1219   1HE   LYS 151          2HE       LYS 151  10.544  -6.363   8.879
 1220   2HE   LYS 151          1HE       LYS 151  10.279  -5.779  10.521
 1221   1HZ   LYS 151          1HZ       LYS 151  12.552  -5.461   9.080
 1222   2HZ   LYS 151          2HZ       LYS 151  12.940  -6.766  10.084
 1223   3HZ   LYS 151          3HZ       LYS 151  12.427  -5.303  10.761
 1224    H    HIS 152           H        HIS 152   9.792 -11.969   6.410
 1225    HA   HIS 152           HA       HIS 152   9.270 -13.411   8.884
 1226   1HB   HIS 152          2HB       HIS 152   7.736 -12.780   6.619
 1227   2HB   HIS 152          1HB       HIS 152   7.966 -14.525   6.559
 1228    HD1  HIS 152           1HD      HIS 152   7.995 -13.726  10.011
 1229    HD2  HIS 152           2HD      HIS 152   5.013 -14.061   7.137
 1230    HE1  HIS 152           1HE      HIS 152   5.858 -14.054  11.295
 1231    HE2  HIS 152           2HE      HIS 152   4.081 -14.341   9.533
 1232    H    HIS 153           H        HIS 153  10.069 -14.337   5.528
 1233    HA   HIS 153           HA       HIS 153  11.340 -16.763   6.588
 1234   1HB   HIS 153          2HB       HIS 153   9.650 -16.271   4.346
 1235   2HB   HIS 153          1HB       HIS 153  11.214 -16.802   3.740
 1236    HD1  HIS 153           1HD      HIS 153   9.017 -17.957   6.637
 1237    HD2  HIS 153           2HD      HIS 153  11.117 -19.470   3.387
 1238    HE1  HIS 153           1HE      HIS 153   8.691 -20.449   6.727
 1239    HE2  HIS 153           2HE      HIS 153   9.894 -21.335   4.699
 1240    H    HIS 154           H        HIS 154  13.017 -17.444   4.563
 1241    HA   HIS 154           HA       HIS 154  14.817 -15.197   4.087
 1242   1HB   HIS 154          2HB       HIS 154  15.268 -17.267   6.074
 1243   2HB   HIS 154          1HB       HIS 154  16.547 -17.246   4.865
 1244    HD1  HIS 154           1HD      HIS 154  15.642 -15.737   7.976
 1245    HD2  HIS 154           2HD      HIS 154  17.609 -14.450   4.550
 1246    HE1  HIS 154           1HE      HIS 154  16.933 -13.694   8.671
 1247    HE2  HIS 154           2HE      HIS 154  18.041 -12.879   6.559
 1248    H    HIS 155           H        HIS 155  16.988 -16.553   3.115
 1249    HA   HIS 155           HA       HIS 155  17.788 -17.459   1.189
 1250   1HB   HIS 155          2HB       HIS 155  16.423 -19.438   2.501
 1251   2HB   HIS 155          1HB       HIS 155  15.664 -19.475   0.913
 1252    HD1  HIS 155           1HD      HIS 155  19.281 -19.235   2.111
 1253    HD2  HIS 155           2HD      HIS 155  16.924 -21.280  -0.632
 1254    HE1  HIS 155           1HE      HIS 155  20.850 -20.784   0.899
 1255    HE2  HIS 155           2HE      HIS 155  19.382 -22.078  -0.688
 1256    H    HIS 156           H        HIS 156  15.828 -15.334   0.968
 1257    HA   HIS 156           HA       HIS 156  15.039 -15.804  -1.808
 1258   1HB   HIS 156          2HB       HIS 156  13.198 -15.570   0.410
 1259   2HB   HIS 156          1HB       HIS 156  12.954 -14.262  -0.742
 1260    HD1  HIS 156           1HD      HIS 156  12.162 -17.760  -0.160
 1261    HD2  HIS 156           2HD      HIS 156  12.449 -15.250  -3.460
 1262    HE1  HIS 156           1HE      HIS 156  10.934 -18.939  -2.010
 1263    HE2  HIS 156           2HE      HIS 156  11.206 -17.447  -4.022
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  15.753 -10.358  -8.257
    2   2H    MET   1          2HT       MET   1  16.581  -9.628  -6.975
    3   3H    MET   1          3HT       MET   1  17.100  -9.381  -8.566
    4    HA   MET   1           HA       MET   1  15.885  -7.468  -7.623
    5   1HB   MET   1          2HB       MET   1  14.963  -8.969 -10.055
    6   2HB   MET   1          1HB       MET   1  14.219  -7.434  -9.630
    7   1HG   MET   1          2HG       MET   1  16.476  -6.401  -9.663
    8   2HG   MET   1          1HG       MET   1  17.118  -7.933 -10.254
    9   1HE   MET   1          1HE       MET   1  17.405  -6.333 -13.648
   10   2HE   MET   1          2HE       MET   1  17.876  -7.751 -12.713
   11   3HE   MET   1          3HE       MET   1  18.119  -6.136 -12.048
   12    H    LYS   2           H        LYS   2  14.466  -7.044  -6.068
   13    HA   LYS   2           HA       LYS   2  12.010  -8.668  -5.929
   14   1HB   LYS   2          2HB       LYS   2  13.981  -8.054  -3.914
   15   2HB   LYS   2          1HB       LYS   2  12.405  -7.440  -3.431
   16   1HG   LYS   2          2HG       LYS   2  12.419  -9.574  -2.547
   17   2HG   LYS   2          1HG       LYS   2  11.549  -9.791  -4.067
   18   1HD   LYS   2          2HD       LYS   2  13.459 -10.722  -5.127
   19   2HD   LYS   2          1HD       LYS   2  14.513 -10.245  -3.793
   20   1HE   LYS   2          2HE       LYS   2  14.097 -12.142  -2.712
   21   2HE   LYS   2          1HE       LYS   2  12.358 -11.875  -2.820
   22   1HZ   LYS   2          1HZ       LYS   2  12.907 -12.664  -5.306
   23   2HZ   LYS   2          2HZ       LYS   2  12.445 -13.723  -4.071
   24   3HZ   LYS   2          3HZ       LYS   2  14.081 -13.538  -4.456
   25    H    LYS   3           H        LYS   3  10.417  -7.496  -6.777
   26    HA   LYS   3           HA       LYS   3  10.141  -4.694  -5.909
   27   1HB   LYS   3          2HB       LYS   3  10.034  -5.894  -8.599
   28   2HB   LYS   3          1HB       LYS   3   8.737  -4.766  -8.239
   29   1HG   LYS   3          2HG       LYS   3  10.638  -3.198  -7.460
   30   2HG   LYS   3          1HG       LYS   3  11.674  -4.269  -8.405
   31   1HD   LYS   3          2HD       LYS   3  10.813  -3.577 -10.386
   32   2HD   LYS   3          1HD       LYS   3   9.195  -3.341  -9.720
   33   1HE   LYS   3          2HE       LYS   3   9.649  -1.157  -9.857
   34   2HE   LYS   3          1HE       LYS   3  10.649  -1.415  -8.428
   35   1HZ   LYS   3          1HZ       LYS   3  11.612  -1.560 -11.233
   36   2HZ   LYS   3          2HZ       LYS   3  12.561  -1.734  -9.845
   37   3HZ   LYS   3          3HZ       LYS   3  11.838  -0.245 -10.193
   38    H    ILE   4           H        ILE   4   8.221  -4.100  -5.078
   39    HA   ILE   4           HA       ILE   4   5.997  -6.029  -5.237
   40    HB   ILE   4           HB       ILE   4   5.903  -4.339  -2.876
   41   1HG1  ILE   4          2HG1      ILE   4   8.407  -4.653  -3.164
   42   2HG1  ILE   4          1HG1      ILE   4   7.736  -5.214  -1.638
   43   1HG2  ILE   4          1HG2      ILE   4   6.018  -7.335  -2.983
   44   2HG2  ILE   4          2HG2      ILE   4   4.581  -6.435  -3.469
   45   3HG2  ILE   4          3HG2      ILE   4   5.190  -6.303  -1.819
   46   1HD1  ILE   4          1HD1      ILE   4   8.278  -7.022  -3.978
   47   2HD1  ILE   4          2HD1      ILE   4   7.883  -7.485  -2.324
   48   3HD1  ILE   4          3HD1      ILE   4   9.432  -6.720  -2.679
   49    H    LEU   5           H        LEU   5   4.463  -5.151  -6.471
   50    HA   LEU   5           HA       LEU   5   4.100  -2.253  -6.474
   51   1HB   LEU   5          2HB       LEU   5   3.985  -4.215  -8.465
   52   2HB   LEU   5          1HB       LEU   5   2.332  -3.679  -8.245
   53    HG   LEU   5           HG       LEU   5   4.617  -1.775  -8.730
   54   1HD1  LEU   5          1HD1      LEU   5   2.669  -2.846 -10.761
   55   2HD1  LEU   5          2HD1      LEU   5   4.341  -3.384 -10.603
   56   3HD1  LEU   5          3HD1      LEU   5   3.989  -1.712 -11.040
   57   1HD2  LEU   5          1HD2      LEU   5   1.635  -1.445  -9.034
   58   2HD2  LEU   5          2HD2      LEU   5   2.864  -0.206  -9.284
   59   3HD2  LEU   5          3HD2      LEU   5   2.587  -0.858  -7.669
   60    H    PHE   6           H        PHE   6   2.720  -1.479  -5.003
   61    HA   PHE   6           HA       PHE   6   0.429  -3.080  -4.156
   62   1HB   PHE   6          2HB       PHE   6   1.229  -0.351  -3.129
   63   2HB   PHE   6          1HB       PHE   6   0.169  -1.520  -2.354
   64    HD1  PHE   6           1HD      PHE   6   2.741  -0.061  -1.343
   65    HD2  PHE   6           2HD      PHE   6   1.972  -3.963  -2.862
   66    HE1  PHE   6           1HE      PHE   6   4.650  -0.935  -0.059
   67    HE2  PHE   6           2HE      PHE   6   3.880  -4.839  -1.584
   68    HZ   PHE   6           HZ       PHE   6   5.221  -3.326  -0.182
   69    H    ILE   7           H        ILE   7  -1.657  -2.604  -4.704
   70    HA   ILE   7           HA       ILE   7  -2.052  -0.241  -6.426
   71    HB   ILE   7           HB       ILE   7  -3.811  -2.664  -6.557
   72   1HG1  ILE   7          2HG1      ILE   7  -1.624  -2.378  -8.546
   73   2HG1  ILE   7          1HG1      ILE   7  -1.171  -2.973  -6.952
   74   1HG2  ILE   7          1HG2      ILE   7  -3.944  -1.796  -8.970
   75   2HG2  ILE   7          2HG2      ILE   7  -3.207  -0.327  -8.331
   76   3HG2  ILE   7          3HG2      ILE   7  -4.762  -0.877  -7.708
   77   1HD1  ILE   7          1HD1      ILE   7  -2.441  -4.350  -9.119
   78   2HD1  ILE   7          2HD1      ILE   7  -3.448  -4.419  -7.673
   79   3HD1  ILE   7          3HD1      ILE   7  -1.780  -4.990  -7.615
   80    H    CYS   8           H        CYS   8  -3.079   1.294  -5.332
   81    HA   CYS   8           HA       CYS   8  -5.312   0.523  -3.575
   82   1HB   CYS   8          2HB       CYS   8  -4.013   3.205  -3.391
   83   2HB   CYS   8          1HB       CYS   8  -4.805   2.258  -2.137
   84    HG   CYS   8           HG       CYS   8  -2.099   2.505  -1.492
   85    H    LEU   9           H        LEU   9  -7.287   1.218  -4.043
   86    HA   LEU   9           HA       LEU   9  -7.899   2.360  -6.520
   87   1HB   LEU   9          2HB       LEU   9  -9.306   1.098  -4.558
   88   2HB   LEU   9          1HB       LEU   9  -9.895   2.742  -4.397
   89    HG   LEU   9           HG       LEU   9 -10.310   2.621  -6.945
   90   1HD1  LEU   9          1HD1      LEU   9  -9.384  -0.067  -6.366
   91   2HD1  LEU   9          2HD1      LEU   9  -9.612   0.744  -7.917
   92   3HD1  LEU   9          3HD1      LEU   9 -10.974  -0.052  -7.130
   93   1HD2  LEU   9          1HD2      LEU   9 -12.410   1.063  -6.312
   94   2HD2  LEU   9          2HD2      LEU   9 -12.283   2.763  -5.863
   95   3HD2  LEU   9          3HD2      LEU   9 -11.859   1.510  -4.698
   96    H    GLY  10           H        GLY  10  -7.091   3.841  -3.494
   97   1HA   GLY  10          2HA       GLY  10  -7.530   6.470  -4.748
   98   2HA   GLY  10          1HA       GLY  10  -8.106   6.173  -3.115
   99    H    ASN  11           H        ASN  11  -5.353   6.809  -5.121
  100    HA   ASN  11           HA       ASN  11  -3.431   6.520  -2.994
  101   1HB   ASN  11          2HB       ASN  11  -3.136   6.339  -5.637
  102   2HB   ASN  11          1HB       ASN  11  -2.769   8.052  -5.459
  103   1HD2  ASN  11          1HD2      ASN  11  -1.041   8.644  -4.015
  104   2HD2  ASN  11          2HD2      ASN  11   0.274   7.553  -3.765
  105    H    ILE  12           H        ILE  12  -5.413   8.169  -2.129
  106    HA   ILE  12           HA       ILE  12  -4.008  10.736  -1.893
  107    HB   ILE  12           HB       ILE  12  -6.090  11.975  -2.059
  108   1HG1  ILE  12          2HG1      ILE  12  -7.554   9.558  -3.035
  109   2HG1  ILE  12          1HG1      ILE  12  -7.395   9.803  -1.298
  110   1HG2  ILE  12          1HG2      ILE  12  -4.694  11.257  -4.109
  111   2HG2  ILE  12          2HG2      ILE  12  -6.296  11.948  -4.372
  112   3HG2  ILE  12          3HG2      ILE  12  -6.062  10.203  -4.472
  113   1HD1  ILE  12          1HD1      ILE  12  -9.221  11.043  -1.449
  114   2HD1  ILE  12          2HD1      ILE  12  -9.120  11.116  -3.209
  115   3HD1  ILE  12          3HD1      ILE  12  -8.209  12.262  -2.225
  116    H    CYS  13           H        CYS  13  -4.822   8.156  -0.248
  117    HA   CYS  13           HA       CYS  13  -5.204   9.640   2.217
  118   1HB   CYS  13          2HB       CYS  13  -7.494   9.195   1.495
  119   2HB   CYS  13          1HB       CYS  13  -7.130   7.478   1.358
  120    HG   CYS  13           HG       CYS  13  -8.696   7.960   3.652
  121    H    ARG  14           H        ARG  14  -5.727   6.208   1.490
  122    HA   ARG  14           HA       ARG  14  -3.962   5.430   3.604
  123   1HB   ARG  14          2HB       ARG  14  -5.434   3.748   3.535
  124   2HB   ARG  14          1HB       ARG  14  -5.961   4.177   1.916
  125   1HG   ARG  14          2HG       ARG  14  -3.357   2.890   1.919
  126   2HG   ARG  14          1HG       ARG  14  -4.609   1.892   2.659
  127   1HD   ARG  14          2HD       ARG  14  -5.486   3.202   0.209
  128   2HD   ARG  14          1HD       ARG  14  -4.110   2.127  -0.036
  129    HE   ARG  14           HE       ARG  14  -6.718   1.323   1.069
  130   1HH1  ARG  14          1HH1      ARG  14  -3.691   0.567  -0.482
  131   2HH1  ARG  14          2HH1      ARG  14  -4.114  -1.084  -0.790
  132   1HH2  ARG  14          1HH2      ARG  14  -7.280  -0.847   0.674
  133   2HH2  ARG  14          2HH2      ARG  14  -6.156  -1.887  -0.136
  134    H    SER  15           H        SER  15  -3.796   5.386   0.073
  135    HA   SER  15           HA       SER  15  -1.395   3.933  -0.134
  136   1HB   SER  15          2HB       SER  15  -1.847   5.941  -2.228
  137   2HB   SER  15          1HB       SER  15  -1.656   4.192  -2.354
  138    HG   SER  15           HG       SER  15  -3.904   4.310  -1.272
  139    HA   PRO  16           HA       PRO  16   0.837   8.259  -0.419
  140   1HB   PRO  16          2HB       PRO  16  -0.390  10.299   0.919
  141   2HB   PRO  16          1HB       PRO  16  -0.587  10.009  -0.813
  142   1HG   PRO  16          2HG       PRO  16  -2.377   9.223   1.455
  143   2HG   PRO  16          1HG       PRO  16  -2.805   9.918  -0.121
  144   1HD   PRO  16          2HD       PRO  16  -3.063   7.291   0.374
  145   2HD   PRO  16          1HD       PRO  16  -2.568   7.894  -1.222
  146    H    MET  17           H        MET  17  -1.199   7.851   2.483
  147    HA   MET  17           HA       MET  17   0.656   8.700   4.377
  148   1HB   MET  17          2HB       MET  17  -1.900   7.777   4.486
  149   2HB   MET  17          1HB       MET  17  -1.031   6.416   5.180
  150   1HG   MET  17          2HG       MET  17  -0.891   9.265   6.140
  151   2HG   MET  17          1HG       MET  17  -1.816   7.965   6.889
  152   1HE   MET  17          1HE       MET  17   0.212   6.488   9.300
  153   2HE   MET  17          2HE       MET  17  -1.304   7.184   8.726
  154   3HE   MET  17          3HE       MET  17  -0.119   8.203   9.543
  155    H    ALA  18           H        ALA  18  -0.061   5.351   3.375
  156    HA   ALA  18           HA       ALA  18   2.095   4.204   4.797
  157   1HB   ALA  18          1HB       ALA  18   1.012   2.349   4.256
  158   2HB   ALA  18          2HB       ALA  18   1.440   2.579   2.561
  159   3HB   ALA  18          3HB       ALA  18  -0.048   3.279   3.196
  160    H    GLU  19           H        GLU  19   1.913   5.870   1.790
  161    HA   GLU  19           HA       GLU  19   4.147   4.735   0.490
  162   1HB   GLU  19          2HB       GLU  19   2.557   6.123  -0.725
  163   2HB   GLU  19          1HB       GLU  19   2.968   7.512   0.271
  164   1HG   GLU  19          2HG       GLU  19   4.812   7.976  -0.910
  165   2HG   GLU  19          1HG       GLU  19   5.245   6.279  -1.098
  166    H    PHE  20           H        PHE  20   3.793   7.509   2.665
  167    HA   PHE  20           HA       PHE  20   6.555   8.209   2.624
  168   1HB   PHE  20          2HB       PHE  20   5.336  10.025   3.314
  169   2HB   PHE  20          1HB       PHE  20   4.145   9.038   4.148
  170    HD1  PHE  20           1HD      PHE  20   7.635  10.280   4.405
  171    HD2  PHE  20           2HD      PHE  20   4.204   8.830   6.467
  172    HE1  PHE  20           1HE      PHE  20   8.698  10.829   6.556
  173    HE2  PHE  20           2HE      PHE  20   5.262   9.379   8.619
  174    HZ   PHE  20           HZ       PHE  20   7.510  10.379   8.666
  175    H    ILE  21           H        ILE  21   4.515   6.332   4.838
  176    HA   ILE  21           HA       ILE  21   6.427   5.843   6.821
  177    HB   ILE  21           HB       ILE  21   4.265   3.910   5.998
  178   1HG1  ILE  21          2HG1      ILE  21   4.042   6.235   7.922
  179   2HG1  ILE  21          1HG1      ILE  21   3.389   6.227   6.287
  180   1HG2  ILE  21          1HG2      ILE  21   5.552   4.433   8.674
  181   2HG2  ILE  21          2HG2      ILE  21   5.926   3.078   7.608
  182   3HG2  ILE  21          3HG2      ILE  21   4.319   3.222   8.322
  183   1HD1  ILE  21          1HD1      ILE  21   2.361   3.930   7.421
  184   2HD1  ILE  21          2HD1      ILE  21   1.514   5.458   7.180
  185   3HD1  ILE  21          3HD1      ILE  21   2.301   5.119   8.722
  186    H    MET  22           H        MET  22   5.475   3.768   4.091
  187    HA   MET  22           HA       MET  22   7.299   1.721   4.506
  188   1HB   MET  22          2HB       MET  22   5.988   2.757   2.001
  189   2HB   MET  22          1HB       MET  22   7.043   1.351   1.987
  190   1HG   MET  22          2HG       MET  22   5.557   0.047   3.134
  191   2HG   MET  22          1HG       MET  22   4.795   1.423   3.929
  192   1HE   MET  22          1HE       MET  22   2.754  -0.060   3.549
  193   2HE   MET  22          2HE       MET  22   3.115  -1.168   2.224
  194   3HE   MET  22          3HE       MET  22   1.778  -0.027   2.080
  195    H    LYS  23           H        LYS  23   7.639   4.565   2.383
  196    HA   LYS  23           HA       LYS  23  10.176   4.016   1.404
  197   1HB   LYS  23          2HB       LYS  23  10.092   6.084   0.466
  198   2HB   LYS  23          1HB       LYS  23   8.408   5.976   0.952
  199   1HG   LYS  23          2HG       LYS  23   9.052   7.172   3.070
  200   2HG   LYS  23          1HG       LYS  23  10.633   7.450   2.336
  201   1HD   LYS  23          2HD       LYS  23   8.166   8.202   0.832
  202   2HD   LYS  23          1HD       LYS  23   8.738   9.248   2.134
  203   1HE   LYS  23          2HE       LYS  23  10.244   8.412  -0.340
  204   2HE   LYS  23          1HE       LYS  23   9.664  10.027   0.062
  205   1HZ   LYS  23          1HZ       LYS  23  11.893  10.096   0.619
  206   2HZ   LYS  23          2HZ       LYS  23  11.908   8.526   1.249
  207   3HZ   LYS  23          3HZ       LYS  23  11.160   9.775   2.111
  208    H    ASP  24           H        ASP  24   9.222   5.419   4.473
  209    HA   ASP  24           HA       ASP  24  11.795   6.352   5.227
  210   1HB   ASP  24          2HB       ASP  24   9.411   6.884   6.197
  211   2HB   ASP  24          1HB       ASP  24   9.757   5.520   7.255
  212    H    LEU  25           H        LEU  25   9.948   3.540   6.423
  213    HA   LEU  25           HA       LEU  25  12.115   2.410   7.829
  214   1HB   LEU  25          2HB       LEU  25   9.385   1.603   7.084
  215   2HB   LEU  25          1HB       LEU  25  10.500   0.277   7.350
  216    HG   LEU  25           HG       LEU  25  10.122   2.470   9.376
  217   1HD1  LEU  25          1HD1      LEU  25   8.100   1.699   9.857
  218   2HD1  LEU  25          2HD1      LEU  25   8.821   0.135  10.241
  219   3HD1  LEU  25          3HD1      LEU  25   8.235   0.459   8.610
  220   1HD2  LEU  25          1HD2      LEU  25  12.141   1.040   9.513
  221   2HD2  LEU  25          2HD2      LEU  25  11.092  -0.371   9.655
  222   3HD2  LEU  25          3HD2      LEU  25  11.071   0.873  10.906
  223    H    VAL  26           H        VAL  26  11.286   2.346   4.492
  224    HA   VAL  26           HA       VAL  26  12.407  -0.103   3.723
  225    HB   VAL  26           HB       VAL  26  11.659   2.398   2.335
  226   1HG1  VAL  26          1HG1      VAL  26  13.891   0.690   1.401
  227   2HG1  VAL  26          2HG1      VAL  26  13.570   2.400   1.110
  228   3HG1  VAL  26          3HG1      VAL  26  12.691   1.171   0.201
  229   1HG2  VAL  26          1HG2      VAL  26   9.990   1.065   1.741
  230   2HG2  VAL  26          2HG2      VAL  26  10.773  -0.295   2.550
  231   3HG2  VAL  26          3HG2      VAL  26  11.123   0.044   0.854
  232    H    LYS  27           H        LYS  27  13.903   3.133   3.802
  233    HA   LYS  27           HA       LYS  27  16.369   2.531   2.775
  234   1HB   LYS  27          2HB       LYS  27  15.396   4.779   3.594
  235   2HB   LYS  27          1HB       LYS  27  16.110   4.355   5.144
  236   1HG   LYS  27          2HG       LYS  27  18.097   3.953   3.181
  237   2HG   LYS  27          1HG       LYS  27  17.345   5.517   2.859
  238   1HD   LYS  27          2HD       LYS  27  17.758   6.221   5.143
  239   2HD   LYS  27          1HD       LYS  27  18.418   4.632   5.538
  240   1HE   LYS  27          2HE       LYS  27  20.428   5.305   4.881
  241   2HE   LYS  27          1HE       LYS  27  19.799   5.600   3.260
  242   1HZ   LYS  27          1HZ       LYS  27  19.487   7.818   3.688
  243   2HZ   LYS  27          2HZ       LYS  27  20.879   7.519   4.602
  244   3HZ   LYS  27          3HZ       LYS  27  19.371   7.609   5.364
  245    H    LYS  28           H        LYS  28  15.248   1.926   6.078
  246    HA   LYS  28           HA       LYS  28  17.792   1.304   7.123
  247   1HB   LYS  28          2HB       LYS  28  16.738   0.739   9.106
  248   2HB   LYS  28          1HB       LYS  28  15.646   1.910   8.385
  249   1HG   LYS  28          2HG       LYS  28  14.052   0.425   8.842
  250   2HG   LYS  28          1HG       LYS  28  14.657  -0.456   7.438
  251   1HD   LYS  28          2HD       LYS  28  15.032  -2.172   8.812
  252   2HD   LYS  28          1HD       LYS  28  16.342  -1.219   9.512
  253   1HE   LYS  28          2HE       LYS  28  15.144  -1.660  11.403
  254   2HE   LYS  28          1HE       LYS  28  14.352  -0.168  10.899
  255   1HZ   LYS  28          1HZ       LYS  28  12.798  -1.781   9.633
  256   2HZ   LYS  28          2HZ       LYS  28  12.581  -1.558  11.295
  257   3HZ   LYS  28          3HZ       LYS  28  13.375  -2.937  10.725
  258    H    ALA  29           H        ALA  29  15.196  -0.970   6.067
  259    HA   ALA  29           HA       ALA  29  17.339  -2.975   5.799
  260   1HB   ALA  29          1HB       ALA  29  16.236  -3.512   7.828
  261   2HB   ALA  29          2HB       ALA  29  15.731  -4.694   6.620
  262   3HB   ALA  29          3HB       ALA  29  14.648  -3.377   7.071
  263    H    ASN  30           H        ASN  30  15.935  -1.347   3.717
  264    HA   ASN  30           HA       ASN  30  15.000  -3.632   2.115
  265   1HB   ASN  30          2HB       ASN  30  13.653  -1.009   2.558
  266   2HB   ASN  30          1HB       ASN  30  13.537  -1.741   0.962
  267   1HD2  ASN  30          1HD2      ASN  30  12.121  -3.333   0.640
  268   2HD2  ASN  30          2HD2      ASN  30  11.165  -4.073   1.874
  269    H    LEU  31           H        LEU  31  15.931  -0.199   1.808
  270    HA   LEU  31           HA       LEU  31  16.823  -0.407  -0.857
  271   1HB   LEU  31          2HB       LEU  31  16.295   1.708   0.455
  272   2HB   LEU  31          1HB       LEU  31  17.878   1.540   1.190
  273    HG   LEU  31           HG       LEU  31  18.603   1.434  -1.390
  274   1HD1  LEU  31          1HD1      LEU  31  17.299   3.152  -2.613
  275   2HD1  LEU  31          2HD1      LEU  31  16.099   3.106  -1.322
  276   3HD1  LEU  31          3HD1      LEU  31  16.396   1.670  -2.301
  277   1HD2  LEU  31          1HD2      LEU  31  19.683   3.305  -0.843
  278   2HD2  LEU  31          2HD2      LEU  31  18.850   3.203   0.708
  279   3HD2  LEU  31          3HD2      LEU  31  18.181   4.195  -0.588
  280    H    GLU  32           H        GLU  32  18.201  -1.367   2.118
  281    HA   GLU  32           HA       GLU  32  20.945  -1.333   1.354
  282   1HB   GLU  32          2HB       GLU  32  19.683  -3.100   3.447
  283   2HB   GLU  32          1HB       GLU  32  21.347  -2.534   3.379
  284   1HG   GLU  32          2HG       GLU  32  19.418  -0.358   3.438
  285   2HG   GLU  32          1HG       GLU  32  19.304  -1.419   4.843
  286    H    LYS  33           H        LYS  33  18.337  -3.677   1.167
  287    HA   LYS  33           HA       LYS  33  20.149  -5.642  -0.040
  288   1HB   LYS  33          2HB       LYS  33  17.732  -5.806   1.568
  289   2HB   LYS  33          1HB       LYS  33  17.606  -6.777   0.106
  290   1HG   LYS  33          2HG       LYS  33  19.186  -8.248   0.779
  291   2HG   LYS  33          1HG       LYS  33  20.114  -7.026   1.650
  292   1HD   LYS  33          2HD       LYS  33  17.425  -7.829   2.672
  293   2HD   LYS  33          1HD       LYS  33  18.809  -8.887   2.955
  294   1HE   LYS  33          2HE       LYS  33  19.628  -6.251   3.560
  295   2HE   LYS  33          1HE       LYS  33  18.060  -6.496   4.327
  296   1HZ   LYS  33          1HZ       LYS  33  19.009  -7.744   5.871
  297   2HZ   LYS  33          2HZ       LYS  33  20.526  -7.389   5.213
  298   3HZ   LYS  33          3HZ       LYS  33  19.691  -8.771   4.711
  299    H    GLU  34           H        GLU  34  18.845  -3.100  -1.187
  300    HA   GLU  34           HA       GLU  34  18.074  -2.375  -3.189
  301   1HB   GLU  34          2HB       GLU  34  19.137  -5.084  -3.899
  302   2HB   GLU  34          1HB       GLU  34  18.305  -4.119  -5.111
  303   1HG   GLU  34          2HG       GLU  34  19.942  -2.483  -5.120
  304   2HG   GLU  34          1HG       GLU  34  20.555  -2.947  -3.534
  305    H    PHE  35           H        PHE  35  16.006  -2.675  -1.768
  306    HA   PHE  35           HA       PHE  35  14.125  -4.433  -3.199
  307   1HB   PHE  35          2HB       PHE  35  14.312  -3.543  -0.361
  308   2HB   PHE  35          1HB       PHE  35  12.702  -3.772  -1.037
  309    HD1  PHE  35           1HD      PHE  35  15.984  -5.555  -0.957
  310    HD2  PHE  35           2HD      PHE  35  11.743  -5.832  -0.743
  311    HE1  PHE  35           1HE      PHE  35  16.167  -7.974  -0.552
  312    HE2  PHE  35           2HE      PHE  35  11.919  -8.252  -0.337
  313    HZ   PHE  35           HZ       PHE  35  14.133  -9.327  -0.241
  314    H    PHE  36           H        PHE  36  12.348  -3.574  -4.175
  315    HA   PHE  36           HA       PHE  36  12.068  -0.642  -4.043
  316   1HB   PHE  36          2HB       PHE  36  12.535  -2.327  -6.277
  317   2HB   PHE  36          1HB       PHE  36  10.896  -1.701  -6.429
  318    HD1  PHE  36           1HD      PHE  36  14.220  -1.103  -7.221
  319    HD2  PHE  36           2HD      PHE  36  10.716   0.908  -5.883
  320    HE1  PHE  36           1HE      PHE  36  15.115   1.021  -8.081
  321    HE2  PHE  36           2HE      PHE  36  11.604   3.037  -6.742
  322    HZ   PHE  36           HZ       PHE  36  13.807   3.094  -7.842
  323    H    ILE  37           H        ILE  37  10.066   0.253  -3.856
  324    HA   ILE  37           HA       ILE  37   7.739  -1.535  -3.756
  325    HB   ILE  37           HB       ILE  37   6.997   0.051  -1.784
  326   1HG1  ILE  37          2HG1      ILE  37   9.450   0.015  -0.464
  327   2HG1  ILE  37          1HG1      ILE  37   9.840   0.606  -2.077
  328   1HG2  ILE  37          1HG2      ILE  37   7.179  -2.389  -1.685
  329   2HG2  ILE  37          2HG2      ILE  37   7.745  -1.631  -0.196
  330   3HG2  ILE  37          3HG2      ILE  37   8.909  -2.244  -1.371
  331   1HD1  ILE  37          1HD1      ILE  37   7.693   1.767  -0.322
  332   2HD1  ILE  37          2HD1      ILE  37   8.285   2.410  -1.853
  333   3HD1  ILE  37          3HD1      ILE  37   9.338   2.390  -0.440
  334    H    ASN  38           H        ASN  38   6.388  -0.796  -5.266
  335    HA   ASN  38           HA       ASN  38   6.064   2.125  -5.536
  336   1HB   ASN  38          2HB       ASN  38   5.178   0.876  -7.919
  337   2HB   ASN  38          1HB       ASN  38   6.576   1.926  -7.704
  338   1HD2  ASN  38          1HD2      ASN  38   5.640  -1.437  -7.038
  339   2HD2  ASN  38          2HD2      ASN  38   7.121  -2.135  -7.594
  340    H    SER  39           H        SER  39   4.087   2.901  -5.184
  341    HA   SER  39           HA       SER  39   1.810   1.034  -5.306
  342   1HB   SER  39          2HB       SER  39   0.782   2.272  -3.447
  343   2HB   SER  39          1HB       SER  39   2.348   1.615  -2.974
  344    HG   SER  39           HG       SER  39   1.691   4.006  -2.596
  345    H    ALA  40           H        ALA  40   0.303   1.577  -6.734
  346    HA   ALA  40           HA       ALA  40  -0.141   4.411  -7.352
  347   1HB   ALA  40          1HB       ALA  40   1.024   4.083  -9.252
  348   2HB   ALA  40          2HB       ALA  40  -0.480   3.349  -9.808
  349   3HB   ALA  40          3HB       ALA  40   0.825   2.331  -9.199
  350    H    GLY  41           H        GLY  41  -2.092   4.375  -9.116
  351   1HA   GLY  41          2HA       GLY  41  -4.246   2.953  -7.716
  352   2HA   GLY  41          1HA       GLY  41  -4.448   4.362  -8.748
  353    H    THR  42           H        THR  42  -6.223   2.799  -9.512
  354    HA   THR  42           HA       THR  42  -5.330   0.637 -11.205
  355    HB   THR  42           HB       THR  42  -7.607   0.135 -11.591
  356    HG1  THR  42           1HG      THR  42  -8.978   2.072 -10.431
  357   1HG2  THR  42          1HG2      THR  42  -7.977   1.259  -8.876
  358   2HG2  THR  42          2HG2      THR  42  -6.619   0.159  -9.106
  359   3HG2  THR  42          3HG2      THR  42  -8.259  -0.375  -9.473
  360    H    SER  43           H        SER  43  -6.912   3.788 -11.726
  361    HA   SER  43           HA       SER  43  -5.962   3.681 -14.514
  362   1HB   SER  43          2HB       SER  43  -8.591   4.767 -13.482
  363   2HB   SER  43          1HB       SER  43  -7.993   5.027 -15.120
  364    HG   SER  43           HG       SER  43  -8.718   2.585 -13.887
  365    H    GLY  44           H        GLY  44  -5.427   5.102 -11.673
  366   1HA   GLY  44          2HA       GLY  44  -4.446   7.066 -11.010
  367   2HA   GLY  44          1HA       GLY  44  -3.942   7.241 -12.683
  368    H    GLU  45           H        GLU  45  -7.316   7.035 -11.897
  369    HA   GLU  45           HA       GLU  45  -8.019   9.369 -13.235
  370   1HB   GLU  45          2HB       GLU  45  -9.354   7.458 -11.451
  371   2HB   GLU  45          1HB       GLU  45 -10.045   9.074 -11.408
  372   1HG   GLU  45          2HG       GLU  45  -9.714   8.582 -14.100
  373   2HG   GLU  45          1HG       GLU  45 -10.225   7.026 -13.447
  374    H    HIS  46           H        HIS  46  -7.848   8.846  -9.714
  375    HA   HIS  46           HA       HIS  46  -7.235  11.706  -9.411
  376   1HB   HIS  46          2HB       HIS  46  -8.524  11.650  -7.255
  377   2HB   HIS  46          1HB       HIS  46  -9.518  11.473  -8.698
  378    HD1  HIS  46           1HD      HIS  46  -8.585   9.784  -5.561
  379    HD2  HIS  46           2HD      HIS  46 -10.515   8.809  -9.110
  380    HE1  HIS  46           1HE      HIS  46  -9.774   7.615  -5.106
  381    HE2  HIS  46           2HE      HIS  46 -10.934   7.041  -7.269
  382    H    ASP  47           H        ASP  47  -6.794   8.423  -8.394
  383    HA   ASP  47           HA       ASP  47  -5.402   8.529  -6.064
  384   1HB   ASP  47          2HB       ASP  47  -4.007   6.810  -7.969
  385   2HB   ASP  47          1HB       ASP  47  -4.907   6.375  -6.515
  386    H    GLY  48           H        GLY  48  -4.106  10.320  -5.698
  387   1HA   GLY  48          2HA       GLY  48  -1.433  10.247  -6.238
  388   2HA   GLY  48          1HA       GLY  48  -2.104  11.122  -7.605
  389    H    GLU  49           H        GLU  49  -4.230  12.295  -5.817
  390    HA   GLU  49           HA       GLU  49  -3.048  14.744  -5.298
  391   1HB   GLU  49          2HB       GLU  49  -5.439  13.541  -3.891
  392   2HB   GLU  49          1HB       GLU  49  -5.018  15.246  -3.913
  393   1HG   GLU  49          2HG       GLU  49  -5.111  14.815  -6.539
  394   2HG   GLU  49          1HG       GLU  49  -6.233  13.561  -6.013
  395    H    GLY  50           H        GLY  50  -3.559  12.024  -3.077
  396   1HA   GLY  50          2HA       GLY  50  -2.586  11.510  -1.064
  397   2HA   GLY  50          1HA       GLY  50  -1.243  12.519  -1.577
  398    H    MET  51           H        MET  51  -4.583  12.872  -0.377
  399    HA   MET  51           HA       MET  51  -3.839  14.353   1.897
  400   1HB   MET  51          2HB       MET  51  -3.362  16.026   0.042
  401   2HB   MET  51          1HB       MET  51  -5.097  16.070  -0.241
  402   1HG   MET  51          2HG       MET  51  -4.794  16.466   2.502
  403   2HG   MET  51          1HG       MET  51  -3.524  17.427   1.746
  404   1HE   MET  51          1HE       MET  51  -6.922  16.908   2.729
  405   2HE   MET  51          2HE       MET  51  -7.900  18.215   2.061
  406   3HE   MET  51          3HE       MET  51  -6.695  18.561   3.302
  407    H    HIS  52           H        HIS  52  -5.326  13.299   3.095
  408    HA   HIS  52           HA       HIS  52  -8.137  13.825   2.471
  409   1HB   HIS  52          2HB       HIS  52  -6.931  11.284   2.190
  410   2HB   HIS  52          1HB       HIS  52  -7.928  11.211   3.640
  411    HD1  HIS  52           1HD      HIS  52  -9.579  13.569   1.608
  412    HD2  HIS  52           2HD      HIS  52  -9.245   9.428   1.514
  413    HE1  HIS  52           1HE      HIS  52 -11.523  12.769   0.229
  414    HE2  HIS  52           2HE      HIS  52 -11.281  10.262   0.155
  415    H    TYR  53           H        TYR  53  -9.575  13.437   4.336
  416    HA   TYR  53           HA       TYR  53  -8.828  14.854   6.564
  417   1HB   TYR  53          2HB       TYR  53 -10.926  12.683   6.474
  418   2HB   TYR  53          1HB       TYR  53 -10.842  14.008   7.630
  419    HD1  TYR  53           1HD      TYR  53 -12.226  12.919   4.569
  420    HD2  TYR  53           2HD      TYR  53 -10.901  16.412   6.602
  421    HE1  TYR  53           1HE      TYR  53 -13.590  14.304   3.064
  422    HE2  TYR  53           2HE      TYR  53 -12.263  17.809   5.103
  423    HH   TYR  53           HH       TYR  53 -13.307  17.734   2.960
  424    H    GLY  54           H        GLY  54  -9.652  11.434   6.913
  425   1HA   GLY  54          2HA       GLY  54  -8.485  10.945   9.319
  426   2HA   GLY  54          1HA       GLY  54  -8.641   9.726   8.069
  427    H    THR  55           H        THR  55  -6.832  10.519   6.182
  428    HA   THR  55           HA       THR  55  -4.438   9.566   7.231
  429    HB   THR  55           HB       THR  55  -5.295   9.852   4.728
  430    HG1  THR  55           1HG      THR  55  -2.515   9.999   5.017
  431   1HG2  THR  55          1HG2      THR  55  -5.098  12.070   4.187
  432   2HG2  THR  55          2HG2      THR  55  -3.490  11.508   3.730
  433   3HG2  THR  55          3HG2      THR  55  -3.730  12.328   5.271
  434    H    LYS  56           H        LYS  56  -5.404  12.914   6.553
  435    HA   LYS  56           HA       LYS  56  -2.997  14.160   7.204
  436   1HB   LYS  56          2HB       LYS  56  -5.388  15.033   6.305
  437   2HB   LYS  56          1HB       LYS  56  -5.484  15.568   7.978
  438   1HG   LYS  56          2HG       LYS  56  -3.087  16.512   7.476
  439   2HG   LYS  56          1HG       LYS  56  -3.652  16.441   5.806
  440   1HD   LYS  56          2HD       LYS  56  -5.672  17.581   7.516
  441   2HD   LYS  56          1HD       LYS  56  -4.149  18.455   7.683
  442   1HE   LYS  56          2HE       LYS  56  -4.040  18.718   5.249
  443   2HE   LYS  56          1HE       LYS  56  -5.568  17.854   5.090
  444   1HZ   LYS  56          1HZ       LYS  56  -5.073  20.539   6.208
  445   2HZ   LYS  56          2HZ       LYS  56  -6.462  19.673   6.636
  446   3HZ   LYS  56          3HZ       LYS  56  -6.180  20.070   5.016
  447    H    ASN  57           H        ASN  57  -5.723  13.260   9.281
  448    HA   ASN  57           HA       ASN  57  -4.817  14.486  11.629
  449   1HB   ASN  57          2HB       ASN  57  -6.734  13.659  12.449
  450   2HB   ASN  57          1HB       ASN  57  -7.000  12.912  10.877
  451   1HD2  ASN  57          1HD2      ASN  57  -5.882  12.411  14.138
  452   2HD2  ASN  57          2HD2      ASN  57  -5.937  10.686  14.100
  453    H    LYS  58           H        LYS  58  -4.344  11.163  10.464
  454    HA   LYS  58           HA       LYS  58  -2.806  10.268  12.639
  455   1HB   LYS  58          2HB       LYS  58  -3.644   9.275  10.067
  456   2HB   LYS  58          1HB       LYS  58  -1.958   8.868  10.347
  457   1HG   LYS  58          2HG       LYS  58  -3.712   7.185  11.087
  458   2HG   LYS  58          1HG       LYS  58  -2.453   7.607  12.246
  459   1HD   LYS  58          2HD       LYS  58  -4.801   9.334  12.415
  460   2HD   LYS  58          1HD       LYS  58  -5.159   7.635  12.730
  461   1HE   LYS  58          2HE       LYS  58  -2.892   7.938  14.164
  462   2HE   LYS  58          1HE       LYS  58  -3.568   9.561  14.291
  463   1HZ   LYS  58          1HZ       LYS  58  -4.876   8.780  15.883
  464   2HZ   LYS  58          2HZ       LYS  58  -4.373   7.188  15.614
  465   3HZ   LYS  58          3HZ       LYS  58  -5.669   7.826  14.733
  466    H    LEU  59           H        LEU  59  -1.954  11.861   9.641
  467    HA   LEU  59           HA       LEU  59   0.848  11.528   9.861
  468   1HB   LEU  59          2HB       LEU  59  -0.791  13.575   8.369
  469   2HB   LEU  59          1HB       LEU  59   0.948  13.414   8.217
  470    HG   LEU  59           HG       LEU  59  -0.927  11.138   7.607
  471   1HD1  LEU  59          1HD1      LEU  59  -0.395  11.842   5.183
  472   2HD1  LEU  59          2HD1      LEU  59  -0.066  13.427   5.883
  473   3HD1  LEU  59          3HD1      LEU  59  -1.664  12.699   6.060
  474   1HD2  LEU  59          1HD2      LEU  59   1.168  10.710   6.062
  475   2HD2  LEU  59          2HD2      LEU  59   1.149  10.199   7.748
  476   3HD2  LEU  59          3HD2      LEU  59   1.976  11.686   7.288
  477    H    ALA  60           H        ALA  60  -1.175  14.409  10.464
  478    HA   ALA  60           HA       ALA  60   0.785  16.059  11.497
  479   1HB   ALA  60          1HB       ALA  60  -2.117  15.935  12.310
  480   2HB   ALA  60          2HB       ALA  60  -1.453  16.846  10.953
  481   3HB   ALA  60          3HB       ALA  60  -1.020  17.285  12.605
  482    H    GLN  61           H        GLN  61  -0.923  13.420  13.030
  483    HA   GLN  61           HA       GLN  61  -0.442  13.960  15.710
  484   1HB   GLN  61          2HB       GLN  61  -0.811  11.449  14.134
  485   2HB   GLN  61          1HB       GLN  61  -0.309  11.327  15.815
  486   1HG   GLN  61          2HG       GLN  61  -2.407  13.117  15.891
  487   2HG   GLN  61          1HG       GLN  61  -2.909  11.929  14.688
  488   1HE2  GLN  61          1HE2      GLN  61  -1.608   9.690  15.773
  489   2HE2  GLN  61          2HE2      GLN  61  -2.401   9.268  17.249
  490    H    LEU  62           H        LEU  62   1.649  12.323  13.354
  491    HA   LEU  62           HA       LEU  62   3.976  13.054  14.911
  492   1HB   LEU  62          2HB       LEU  62   4.676  10.480  14.499
  493   2HB   LEU  62          1HB       LEU  62   4.011  11.089  16.002
  494    HG   LEU  62           HG       LEU  62   1.835  10.370  14.309
  495   1HD1  LEU  62          1HD1      LEU  62   2.554   8.611  13.166
  496   2HD1  LEU  62          2HD1      LEU  62   2.877   7.798  14.697
  497   3HD1  LEU  62          3HD1      LEU  62   4.151   8.727  13.906
  498   1HD2  LEU  62          1HD2      LEU  62   1.723  10.427  16.715
  499   2HD2  LEU  62          2HD2      LEU  62   2.961   9.177  16.838
  500   3HD2  LEU  62          3HD2      LEU  62   1.382   8.789  16.157
  501    H    ASN  63           H        ASN  63   2.681  11.321  12.116
  502    HA   ASN  63           HA       ASN  63   5.087  11.360  10.605
  503   1HB   ASN  63          2HB       ASN  63   2.286  11.207   9.481
  504   2HB   ASN  63          1HB       ASN  63   3.771  10.562   8.782
  505   1HD2  ASN  63          1HD2      ASN  63   1.195  10.040  10.976
  506   2HD2  ASN  63          2HD2      ASN  63   1.636   8.443  11.463
  507    H    ILE  64           H        ILE  64   4.245  12.320   8.111
  508    HA   ILE  64           HA       ILE  64   4.406  15.208   8.587
  509    HB   ILE  64           HB       ILE  64   4.923  13.646   6.054
  510   1HG1  ILE  64          2HG1      ILE  64   6.917  14.996   7.881
  511   2HG1  ILE  64          1HG1      ILE  64   6.539  13.279   7.956
  512   1HG2  ILE  64          1HG2      ILE  64   6.161  16.002   5.686
  513   2HG2  ILE  64          2HG2      ILE  64   4.798  16.526   6.674
  514   3HG2  ILE  64          3HG2      ILE  64   4.511  15.675   5.156
  515   1HD1  ILE  64          1HD1      ILE  64   8.532  13.519   6.703
  516   2HD1  ILE  64          2HD1      ILE  64   7.823  14.779   5.695
  517   3HD1  ILE  64          3HD1      ILE  64   7.249  13.117   5.562
  518    H    GLU  65           H        GLU  65   2.765  16.535   8.103
  519    HA   GLU  65           HA       GLU  65   0.211  15.692   7.631
  520   1HB   GLU  65          2HB       GLU  65   1.503  18.170   7.911
  521   2HB   GLU  65          1HB       GLU  65   0.536  18.284   6.447
  522   1HG   GLU  65          2HG       GLU  65  -1.348  17.287   7.935
  523   2HG   GLU  65          1HG       GLU  65  -0.338  17.852   9.265
  524    H    HIS  66           H        HIS  66   2.698  15.999   5.350
  525    HA   HIS  66           HA       HIS  66   1.345  14.649   3.324
  526   1HB   HIS  66          2HB       HIS  66   1.269  16.669   1.674
  527   2HB   HIS  66          1HB       HIS  66  -0.063  16.418   2.794
  528    HD1  HIS  66           1HD      HIS  66  -0.843  18.624   3.567
  529    HD2  HIS  66           2HD      HIS  66   3.298  18.483   3.267
  530    HE1  HIS  66           1HE      HIS  66  -0.035  20.867   4.364
  531    HE2  HIS  66           2HE      HIS  66   2.478  20.717   4.281
  532    H    LYS  67           H        LYS  67   2.725  13.919   1.838
  533    HA   LYS  67           HA       LYS  67   4.933  15.230   0.769
  534   1HB   LYS  67          2HB       LYS  67   5.444  14.446   3.403
  535   2HB   LYS  67          1HB       LYS  67   6.224  13.216   2.418
  536   1HG   LYS  67          2HG       LYS  67   7.939  14.590   2.171
  537   2HG   LYS  67          1HG       LYS  67   6.893  15.662   1.237
  538   1HD   LYS  67          2HD       LYS  67   6.393  16.986   3.100
  539   2HD   LYS  67          1HD       LYS  67   6.938  15.750   4.235
  540   1HE   LYS  67          2HE       LYS  67   8.821  17.067   2.301
  541   2HE   LYS  67          1HE       LYS  67   8.453  17.778   3.872
  542   1HZ   LYS  67          1HZ       LYS  67  10.096  16.503   4.628
  543   2HZ   LYS  67          2HZ       LYS  67  10.144  15.555   3.230
  544   3HZ   LYS  67          3HZ       LYS  67   9.041  15.191   4.460
  545    H    ASN  68           H        ASN  68   2.818  13.492  -0.006
  546    HA   ASN  68           HA       ASN  68   4.390  11.472  -1.401
  547   1HB   ASN  68          2HB       ASN  68   1.860  10.746   0.084
  548   2HB   ASN  68          1HB       ASN  68   2.879   9.660  -0.856
  549   1HD2  ASN  68          1HD2      ASN  68   5.155   9.492  -0.116
  550   2HD2  ASN  68          2HD2      ASN  68   5.446   9.490   1.586
  551    H    PHE  69           H        PHE  69   2.709  14.004  -1.899
  552    HA   PHE  69           HA       PHE  69   0.487  13.163  -3.474
  553   1HB   PHE  69          2HB       PHE  69   1.016  15.647  -4.443
  554   2HB   PHE  69          1HB       PHE  69   0.084  15.334  -2.984
  555    HD1  PHE  69           1HD      PHE  69   3.547  16.005  -4.159
  556    HD2  PHE  69           2HD      PHE  69   0.748  16.244  -0.963
  557    HE1  PHE  69           1HE      PHE  69   5.159  17.323  -2.850
  558    HE2  PHE  69           2HE      PHE  69   2.355  17.562   0.353
  559    HZ   PHE  69           HZ       PHE  69   4.565  18.104  -0.591
  560    H    THR  70           H        THR  70   0.916  11.810  -5.113
  561    HA   THR  70           HA       THR  70   2.392  12.863  -7.374
  562    HB   THR  70           HB       THR  70   4.265  11.779  -6.555
  563    HG1  THR  70           1HG      THR  70   4.268  10.768  -8.436
  564   1HG2  THR  70          1HG2      THR  70   2.333   9.814  -5.382
  565   2HG2  THR  70          2HG2      THR  70   3.600  10.746  -4.586
  566   3HG2  THR  70          3HG2      THR  70   4.025   9.369  -5.603
  567    H    SER  71           H        SER  71   0.820  12.729  -8.850
  568    HA   SER  71           HA       SER  71  -1.274  10.868  -8.860
  569   1HB   SER  71          2HB       SER  71  -1.607  11.610 -11.242
  570   2HB   SER  71          1HB       SER  71  -1.517  12.929 -10.075
  571    HG   SER  71           HG       SER  71   0.098  12.377 -12.185
  572    H    LYS  72           H        LYS  72  -0.864   8.737  -8.887
  573    HA   LYS  72           HA       LYS  72   0.965   7.718 -10.955
  574   1HB   LYS  72          2HB       LYS  72   0.262   6.637  -8.233
  575   2HB   LYS  72          1HB       LYS  72   1.047   5.651  -9.460
  576   1HG   LYS  72          2HG       LYS  72   2.797   7.539  -9.548
  577   2HG   LYS  72          1HG       LYS  72   2.107   8.039  -8.002
  578   1HD   LYS  72          2HD       LYS  72   2.759   6.072  -6.937
  579   2HD   LYS  72          1HD       LYS  72   2.950   5.198  -8.459
  580   1HE   LYS  72          2HE       LYS  72   5.134   5.612  -8.229
  581   2HE   LYS  72          1HE       LYS  72   4.740   7.259  -8.723
  582   1HZ   LYS  72          1HZ       LYS  72   5.179   8.032  -6.695
  583   2HZ   LYS  72          2HZ       LYS  72   5.928   6.547  -6.388
  584   3HZ   LYS  72          3HZ       LYS  72   4.321   6.794  -5.923
  585    H    LYS  73           H        LYS  73   0.423   5.661 -11.932
  586    HA   LYS  73           HA       LYS  73  -2.322   4.748 -11.748
  587   1HB   LYS  73          2HB       LYS  73  -2.367   4.959 -14.387
  588   2HB   LYS  73          1HB       LYS  73  -2.907   6.273 -13.354
  589   1HG   LYS  73          2HG       LYS  73  -1.044   7.560 -13.783
  590   2HG   LYS  73          1HG       LYS  73  -0.062   6.167 -14.244
  591   1HD   LYS  73          2HD       LYS  73  -0.555   6.524 -16.380
  592   2HD   LYS  73          1HD       LYS  73  -2.270   6.308 -16.023
  593   1HE   LYS  73          2HE       LYS  73  -1.569   8.880 -15.113
  594   2HE   LYS  73          1HE       LYS  73  -0.850   8.699 -16.712
  595   1HZ   LYS  73          1HZ       LYS  73  -3.260   9.558 -16.492
  596   2HZ   LYS  73          2HZ       LYS  73  -3.658   7.928 -16.271
  597   3HZ   LYS  73          3HZ       LYS  73  -2.898   8.426 -17.698
  598    H    LEU  74           H        LEU  74  -1.533   2.735 -11.188
  599    HA   LEU  74           HA       LEU  74   0.576   1.359 -12.372
  600   1HB   LEU  74          2HB       LEU  74  -0.133   0.345 -10.440
  601   2HB   LEU  74          1HB       LEU  74  -1.831   0.585 -10.805
  602    HG   LEU  74           HG       LEU  74  -0.882  -1.237 -12.730
  603   1HD1  LEU  74          1HD1      LEU  74  -0.186  -3.055 -11.027
  604   2HD1  LEU  74          2HD1      LEU  74   0.271  -1.689 -10.011
  605   3HD1  LEU  74          3HD1      LEU  74   1.019  -1.898 -11.594
  606   1HD2  LEU  74          1HD2      LEU  74  -2.842  -2.121 -12.186
  607   2HD2  LEU  74          2HD2      LEU  74  -2.972  -0.954 -10.870
  608   3HD2  LEU  74          3HD2      LEU  74  -2.248  -2.536 -10.578
  609    H    THR  75           H        THR  75   0.839   0.368 -14.286
  610    HA   THR  75           HA       THR  75  -1.556  -0.259 -15.880
  611    HB   THR  75           HB       THR  75   0.702   0.426 -17.558
  612    HG1  THR  75           1HG      THR  75  -0.165   2.301 -15.623
  613   1HG2  THR  75          1HG2      THR  75  -2.194   0.950 -17.350
  614   2HG2  THR  75          2HG2      THR  75  -1.218   0.515 -18.753
  615   3HG2  THR  75          3HG2      THR  75  -1.249   2.185 -18.184
  616    H    GLN  76           H        GLN  76  -0.358  -1.347 -18.083
  617    HA   GLN  76           HA       GLN  76   0.277  -3.950 -17.201
  618   1HB   GLN  76          2HB       GLN  76   0.974  -4.228 -19.678
  619   2HB   GLN  76          1HB       GLN  76  -0.710  -3.881 -19.309
  620   1HG   GLN  76          2HG       GLN  76  -0.665  -1.989 -20.464
  621   2HG   GLN  76          1HG       GLN  76   0.822  -1.457 -19.679
  622   1HE2  GLN  76          1HE2      GLN  76   0.529  -0.784 -22.225
  623   2HE2  GLN  76          2HE2      GLN  76   1.546  -1.730 -23.253
  624    H    LYS  77           H        LYS  77   2.292  -1.419 -18.681
  625    HA   LYS  77           HA       LYS  77   4.708  -2.826 -18.655
  626   1HB   LYS  77          2HB       LYS  77   5.679  -0.395 -18.492
  627   2HB   LYS  77          1HB       LYS  77   4.825  -0.916 -19.938
  628   1HG   LYS  77          2HG       LYS  77   2.777   0.079 -18.483
  629   2HG   LYS  77          1HG       LYS  77   4.104   1.110 -17.941
  630   1HD   LYS  77          2HD       LYS  77   4.600   1.240 -20.530
  631   2HD   LYS  77          1HD       LYS  77   2.886   0.836 -20.643
  632   1HE   LYS  77          2HE       LYS  77   2.228   2.790 -19.566
  633   2HE   LYS  77          1HE       LYS  77   3.819   3.042 -18.848
  634   1HZ   LYS  77          1HZ       LYS  77   3.889   4.566 -20.512
  635   2HZ   LYS  77          2HZ       LYS  77   2.869   3.690 -21.537
  636   3HZ   LYS  77          3HZ       LYS  77   4.490   3.236 -21.368
  637    H    LEU  78           H        LEU  78   3.265  -0.694 -16.217
  638    HA   LEU  78           HA       LEU  78   5.403  -0.706 -14.404
  639   1HB   LEU  78          2HB       LEU  78   2.508  -0.096 -14.276
  640   2HB   LEU  78          1HB       LEU  78   3.296  -0.445 -12.749
  641    HG   LEU  78           HG       LEU  78   5.037   1.349 -13.821
  642   1HD1  LEU  78          1HD1      LEU  78   4.113   2.822 -15.229
  643   2HD1  LEU  78          2HD1      LEU  78   2.556   2.789 -14.401
  644   3HD1  LEU  78          3HD1      LEU  78   2.962   1.530 -15.569
  645   1HD2  LEU  78          1HD2      LEU  78   3.797   3.028 -12.378
  646   2HD2  LEU  78          2HD2      LEU  78   4.317   1.539 -11.588
  647   3HD2  LEU  78          3HD2      LEU  78   2.631   1.742 -12.063
  648    H    CYS  79           H        CYS  79   2.549  -2.810 -14.627
  649    HA   CYS  79           HA       CYS  79   3.114  -4.397 -12.378
  650   1HB   CYS  79          2HB       CYS  79   0.965  -4.755 -13.090
  651   2HB   CYS  79          1HB       CYS  79   1.398  -4.658 -14.793
  652    HG   CYS  79           HG       CYS  79   0.359  -7.225 -14.059
  653    H    ASP  80           H        ASP  80   4.147  -4.604 -15.732
  654    HA   ASP  80           HA       ASP  80   5.308  -7.162 -15.644
  655   1HB   ASP  80          2HB       ASP  80   5.008  -5.137 -17.551
  656   2HB   ASP  80          1HB       ASP  80   6.750  -5.344 -17.386
  657    H    GLU  81           H        GLU  81   6.298  -4.174 -14.293
  658    HA   GLU  81           HA       GLU  81   9.102  -4.817 -14.154
  659   1HB   GLU  81          2HB       GLU  81   7.500  -2.654 -12.778
  660   2HB   GLU  81          1HB       GLU  81   9.253  -2.787 -12.742
  661   1HG   GLU  81          2HG       GLU  81   8.369  -2.849 -15.453
  662   2HG   GLU  81          1HG       GLU  81   7.637  -1.470 -14.634
  663    H    SER  82           H        SER  82   6.558  -4.372 -11.668
  664    HA   SER  82           HA       SER  82   8.089  -5.419  -9.559
  665   1HB   SER  82          2HB       SER  82   6.330  -4.729  -8.360
  666   2HB   SER  82          1HB       SER  82   5.522  -4.310  -9.871
  667    HG   SER  82           HG       SER  82   4.849  -6.188  -8.140
  668    H    ASP  83           H        ASP  83   7.922  -7.427  -8.467
  669    HA   ASP  83           HA       ASP  83   7.341  -9.654 -10.284
  670   1HB   ASP  83          2HB       ASP  83   8.876  -9.762  -7.684
  671   2HB   ASP  83          1HB       ASP  83   8.835 -10.979  -8.957
  672    H    PHE  84           H        PHE  84   6.270  -8.130  -7.401
  673    HA   PHE  84           HA       PHE  84   4.320 -10.294  -7.006
  674   1HB   PHE  84          2HB       PHE  84   6.236  -9.165  -5.075
  675   2HB   PHE  84          1HB       PHE  84   4.582  -9.289  -4.482
  676    HD1  PHE  84           1HD      PHE  84   4.107 -11.186  -3.306
  677    HD2  PHE  84           2HD      PHE  84   6.946 -11.395  -6.471
  678    HE1  PHE  84           1HE      PHE  84   4.454 -13.576  -2.834
  679    HE2  PHE  84           2HE      PHE  84   7.295 -13.786  -6.006
  680    HZ   PHE  84           HZ       PHE  84   6.047 -14.879  -4.186
  681    H    LEU  85           H        LEU  85   2.266  -9.646  -6.917
  682    HA   LEU  85           HA       LEU  85   1.734  -6.757  -6.791
  683   1HB   LEU  85          2HB       LEU  85   0.310  -9.060  -8.081
  684   2HB   LEU  85          1HB       LEU  85  -0.565  -7.588  -7.704
  685    HG   LEU  85           HG       LEU  85   0.124  -7.537 -10.013
  686   1HD1  LEU  85          1HD1      LEU  85   1.685  -5.503  -9.912
  687   2HD1  LEU  85          2HD1      LEU  85   1.549  -5.663  -8.161
  688   3HD1  LEU  85          3HD1      LEU  85   0.107  -5.381  -9.136
  689   1HD2  LEU  85          1HD2      LEU  85   2.489  -8.758  -9.000
  690   2HD2  LEU  85          2HD2      LEU  85   2.934  -7.277  -9.848
  691   3HD2  LEU  85          3HD2      LEU  85   1.996  -8.520 -10.675
  692    H    ILE  86           H        ILE  86   0.395  -5.909  -5.245
  693    HA   ILE  86           HA       ILE  86  -0.950  -7.807  -3.448
  694    HB   ILE  86           HB       ILE  86   0.716  -5.456  -2.548
  695   1HG1  ILE  86          2HG1      ILE  86   1.080  -8.418  -2.041
  696   2HG1  ILE  86          1HG1      ILE  86   1.983  -7.496  -3.238
  697   1HG2  ILE  86          1HG2      ILE  86  -0.221  -7.283  -0.495
  698   2HG2  ILE  86          2HG2      ILE  86  -1.546  -6.482  -1.338
  699   3HG2  ILE  86          3HG2      ILE  86  -0.289  -5.522  -0.558
  700   1HD1  ILE  86          1HD1      ILE  86   2.323  -7.668  -0.342
  701   2HD1  ILE  86          2HD1      ILE  86   2.407  -6.029  -0.990
  702   3HD1  ILE  86          3HD1      ILE  86   3.489  -7.279  -1.607
  703    H    THR  87           H        THR  87  -2.982  -7.357  -3.085
  704    HA   THR  87           HA       THR  87  -3.934  -4.590  -3.424
  705    HB   THR  87           HB       THR  87  -6.095  -5.507  -4.213
  706    HG1  THR  87           1HG      THR  87  -5.828  -7.623  -3.278
  707   1HG2  THR  87          1HG2      THR  87  -3.583  -6.104  -5.742
  708   2HG2  THR  87          2HG2      THR  87  -4.743  -4.796  -5.978
  709   3HG2  THR  87          3HG2      THR  87  -5.170  -6.446  -6.434
  710    H    MET  88           H        MET  88  -5.136  -3.792  -1.779
  711    HA   MET  88           HA       MET  88  -5.845  -5.667   0.378
  712   1HB   MET  88          2HB       MET  88  -5.679  -2.842   1.135
  713   2HB   MET  88          1HB       MET  88  -4.991  -4.259   1.916
  714   1HG   MET  88          2HG       MET  88  -3.235  -4.228   0.082
  715   2HG   MET  88          1HG       MET  88  -3.837  -2.619  -0.314
  716   1HE   MET  88          1HE       MET  88  -1.484  -1.522   0.051
  717   2HE   MET  88          2HE       MET  88  -0.806  -3.115   0.392
  718   3HE   MET  88          3HE       MET  88  -0.493  -1.769   1.488
  719    H    ASP  89           H        ASP  89  -6.985  -3.391  -1.887
  720    HA   ASP  89           HA       ASP  89  -9.407  -2.724  -0.470
  721   1HB   ASP  89          2HB       ASP  89  -8.830  -2.320  -3.408
  722   2HB   ASP  89          1HB       ASP  89 -10.028  -1.481  -2.430
  723    H    ASN  90           H        ASN  90 -11.262  -3.831  -0.505
  724    HA   ASN  90           HA       ASN  90 -11.410  -6.426  -1.497
  725   1HB   ASN  90          2HB       ASN  90 -13.009  -4.770   0.091
  726   2HB   ASN  90          1HB       ASN  90 -14.038  -5.226  -1.265
  727   1HD2  ASN  90          1HD2      ASN  90 -13.003  -6.101   1.741
  728   2HD2  ASN  90          2HD2      ASN  90 -13.399  -7.782   1.699
  729    H    SER  91           H        SER  91 -12.163  -3.392  -3.016
  730    HA   SER  91           HA       SER  91 -13.578  -4.645  -5.217
  731   1HB   SER  91          2HB       SER  91 -14.196  -2.517  -5.874
  732   2HB   SER  91          1HB       SER  91 -13.959  -2.263  -4.145
  733    HG   SER  91           HG       SER  91 -11.921  -1.418  -4.587
  734    H    ASN  92           H        ASN  92 -10.419  -3.285  -4.534
  735    HA   ASN  92           HA       ASN  92  -9.435  -3.082  -7.145
  736   1HB   ASN  92          2HB       ASN  92  -8.419  -2.299  -4.874
  737   2HB   ASN  92          1HB       ASN  92  -7.659  -3.888  -4.871
  738   1HD2  ASN  92          1HD2      ASN  92  -8.293  -1.384  -7.308
  739   2HD2  ASN  92          2HD2      ASN  92  -6.674  -1.321  -7.907
  740    H    PHE  93           H        PHE  93  -9.753  -5.837  -5.019
  741    HA   PHE  93           HA       PHE  93  -8.021  -7.597  -6.377
  742   1HB   PHE  93          2HB       PHE  93  -8.800  -8.073  -4.121
  743   2HB   PHE  93          1HB       PHE  93 -10.463  -8.177  -4.687
  744    HD1  PHE  93           1HD      PHE  93 -11.347 -10.239  -5.196
  745    HD2  PHE  93           2HD      PHE  93  -7.122  -9.733  -5.237
  746    HE1  PHE  93           1HE      PHE  93 -11.067 -12.652  -5.584
  747    HE2  PHE  93           2HE      PHE  93  -6.834 -12.145  -5.626
  748    HZ   PHE  93           HZ       PHE  93  -8.808 -13.608  -5.800
  749    H    LYS  94           H        LYS  94 -11.559  -7.207  -6.574
  750    HA   LYS  94           HA       LYS  94 -11.924  -9.093  -8.643
  751   1HB   LYS  94          2HB       LYS  94 -13.580  -6.849  -7.539
  752   2HB   LYS  94          1HB       LYS  94 -14.105  -7.707  -8.981
  753   1HG   LYS  94          2HG       LYS  94 -13.323  -9.460  -6.777
  754   2HG   LYS  94          1HG       LYS  94 -14.701  -8.416  -6.420
  755   1HD   LYS  94          2HD       LYS  94 -15.158  -9.374  -9.001
  756   2HD   LYS  94          1HD       LYS  94 -14.554 -10.763  -8.095
  757   1HE   LYS  94          2HE       LYS  94 -17.048 -10.450  -8.052
  758   2HE   LYS  94          1HE       LYS  94 -16.273 -10.560  -6.473
  759   1HZ   LYS  94          1HZ       LYS  94 -16.937  -8.518  -5.945
  760   2HZ   LYS  94          2HZ       LYS  94 -17.973  -8.598  -7.280
  761   3HZ   LYS  94          3HZ       LYS  94 -16.455  -7.867  -7.431
  762    H    ASN  95           H        ASN  95 -11.178  -5.671  -8.641
  763    HA   ASN  95           HA       ASN  95 -11.720  -5.152 -11.362
  764   1HB   ASN  95          2HB       ASN  95 -11.133  -3.569  -9.298
  765   2HB   ASN  95          1HB       ASN  95  -9.517  -3.689  -9.987
  766   1HD2  ASN  95          1HD2      ASN  95  -9.440  -1.561 -10.605
  767   2HD2  ASN  95          2HD2      ASN  95 -10.390  -0.923 -11.900
  768    H    VAL  96           H        VAL  96  -8.615  -5.737  -9.714
  769    HA   VAL  96           HA       VAL  96  -7.023  -5.845 -12.007
  770    HB   VAL  96           HB       VAL  96  -6.638  -7.184  -9.326
  771   1HG1  VAL  96          1HG1      VAL  96  -5.043  -8.358 -10.385
  772   2HG1  VAL  96          2HG1      VAL  96  -4.136  -6.847 -10.330
  773   3HG1  VAL  96          3HG1      VAL  96  -5.037  -7.283 -11.783
  774   1HG2  VAL  96          1HG2      VAL  96  -5.718  -5.266  -8.581
  775   2HG2  VAL  96          2HG2      VAL  96  -6.690  -4.537  -9.860
  776   3HG2  VAL  96          3HG2      VAL  96  -4.985  -4.889 -10.140
  777    H    LEU  97           H        LEU  97  -9.059  -8.253 -10.511
  778    HA   LEU  97           HA       LEU  97  -8.078 -10.625 -11.464
  779   1HB   LEU  97          2HB       LEU  97 -10.559  -9.675 -10.451
  780   2HB   LEU  97          1HB       LEU  97 -10.901 -10.662 -11.858
  781    HG   LEU  97           HG       LEU  97 -11.006 -12.008  -9.847
  782   1HD1  LEU  97          1HD1      LEU  97 -10.304 -13.246 -11.717
  783   2HD1  LEU  97          2HD1      LEU  97  -9.194 -13.690 -10.421
  784   3HD1  LEU  97          3HD1      LEU  97  -8.682 -12.554 -11.670
  785   1HD2  LEU  97          1HD2      LEU  97  -9.693 -11.083  -8.220
  786   2HD2  LEU  97          2HD2      LEU  97  -8.355 -10.762  -9.323
  787   3HD2  LEU  97          3HD2      LEU  97  -8.647 -12.402  -8.745
  788    H    LYS  98           H        LYS  98 -10.208  -8.375 -13.212
  789    HA   LYS  98           HA       LYS  98  -9.763  -9.924 -15.665
  790   1HB   LYS  98          2HB       LYS  98 -11.646  -8.530 -16.568
  791   2HB   LYS  98          1HB       LYS  98 -12.082  -9.578 -15.225
  792   1HG   LYS  98          2HG       LYS  98 -12.882  -7.834 -14.128
  793   2HG   LYS  98          1HG       LYS  98 -11.281  -7.092 -14.139
  794   1HD   LYS  98          2HD       LYS  98 -12.317  -6.713 -16.715
  795   2HD   LYS  98          1HD       LYS  98 -13.643  -6.359 -15.607
  796   1HE   LYS  98          2HE       LYS  98 -11.933  -4.943 -14.324
  797   2HE   LYS  98          1HE       LYS  98 -10.938  -5.069 -15.775
  798   1HZ   LYS  98          1HZ       LYS  98 -13.704  -3.989 -15.695
  799   2HZ   LYS  98          2HZ       LYS  98 -12.695  -4.049 -17.050
  800   3HZ   LYS  98          3HZ       LYS  98 -12.296  -3.051 -15.744
  801    H    ASN  99           H        ASN  99  -8.879  -7.007 -14.117
  802    HA   ASN  99           HA       ASN  99  -8.442  -5.334 -16.328
  803   1HB   ASN  99          2HB       ASN  99  -7.603  -5.401 -13.503
  804   2HB   ASN  99          1HB       ASN  99  -6.519  -4.525 -14.580
  805   1HD2  ASN  99          1HD2      ASN  99  -8.397  -3.548 -16.396
  806   2HD2  ASN  99          2HD2      ASN  99  -9.379  -2.376 -15.593
  807    H    PHE 100           H        PHE 100  -6.175  -7.469 -14.597
  808    HA   PHE 100           HA       PHE 100  -4.241  -7.128 -16.765
  809   1HB   PHE 100          2HB       PHE 100  -4.057  -8.207 -13.965
  810   2HB   PHE 100          1HB       PHE 100  -2.796  -8.544 -15.146
  811    HD1  PHE 100           1HD      PHE 100  -2.323  -6.162 -16.565
  812    HD2  PHE 100           2HD      PHE 100  -3.399  -6.602 -12.471
  813    HE1  PHE 100           1HE      PHE 100  -1.267  -3.998 -16.059
  814    HE2  PHE 100           2HE      PHE 100  -2.346  -4.438 -11.958
  815    HZ   PHE 100           HZ       PHE 100  -1.278  -3.134 -13.754
  816    H    THR 101           H        THR 101  -2.948  -9.206 -17.253
  817    HA   THR 101           HA       THR 101  -4.724 -11.054 -18.463
  818    HB   THR 101           HB       THR 101  -2.325 -12.349 -18.544
  819    HG1  THR 101           1HG      THR 101  -1.110 -10.092 -19.055
  820   1HG2  THR 101          1HG2      THR 101  -1.990 -11.089 -20.718
  821   2HG2  THR 101          2HG2      THR 101  -3.413 -10.143 -20.283
  822   3HG2  THR 101          3HG2      THR 101  -3.551 -11.886 -20.520
  823    H    ASN 102           H        ASN 102  -3.644 -13.533 -18.145
  824    HA   ASN 102           HA       ASN 102  -4.870 -14.413 -15.744
  825   1HB   ASN 102          2HB       ASN 102  -3.018 -16.286 -17.070
  826   2HB   ASN 102          1HB       ASN 102  -4.712 -16.490 -16.635
  827   1HD2  ASN 102          1HD2      ASN 102  -2.735 -16.519 -19.153
  828   2HD2  ASN 102          2HD2      ASN 102  -3.786 -15.948 -20.400
  829    H    THR 103           H        THR 103  -2.168 -12.750 -15.872
  830    HA   THR 103           HA       THR 103  -0.559 -14.423 -14.103
  831    HB   THR 103           HB       THR 103   0.641 -13.273 -15.892
  832    HG1  THR 103           1HG      THR 103   1.309 -11.928 -13.487
  833   1HG2  THR 103          1HG2      THR 103   0.865 -10.706 -15.568
  834   2HG2  THR 103          2HG2      THR 103  -0.673 -10.850 -14.718
  835   3HG2  THR 103          3HG2      THR 103  -0.549 -11.343 -16.407
  836    H    GLN 104           H        GLN 104  -3.154 -12.613 -13.686
  837    HA   GLN 104           HA       GLN 104  -2.443 -10.761 -11.669
  838   1HB   GLN 104          2HB       GLN 104  -4.734 -10.401 -11.378
  839   2HB   GLN 104          1HB       GLN 104  -4.606 -10.884 -13.063
  840   1HG   GLN 104          2HG       GLN 104  -5.280 -12.816 -10.865
  841   2HG   GLN 104          1HG       GLN 104  -6.500 -11.893 -11.739
  842   1HE2  GLN 104          1HE2      GLN 104  -7.158 -12.580 -13.688
  843   2HE2  GLN 104          2HE2      GLN 104  -6.519 -13.958 -14.512
  844    H    ASN 105           H        ASN 105  -2.402 -14.085 -11.658
  845    HA   ASN 105           HA       ASN 105  -3.383 -14.742  -9.109
  846   1HB   ASN 105          2HB       ASN 105  -1.426 -16.024 -10.988
  847   2HB   ASN 105          1HB       ASN 105  -1.654 -16.682  -9.369
  848   1HD2  ASN 105          1HD2      ASN 105  -4.080 -16.868  -8.787
  849   2HD2  ASN 105          2HD2      ASN 105  -5.063 -17.623  -9.991
  850    H    LYS 106           H        LYS 106  -0.776 -12.832  -9.963
  851    HA   LYS 106           HA       LYS 106   0.879 -13.502  -7.672
  852   1HB   LYS 106          2HB       LYS 106   1.151 -11.803 -10.082
  853   2HB   LYS 106          1HB       LYS 106   1.996 -11.243  -8.646
  854   1HG   LYS 106          2HG       LYS 106   3.628 -12.528  -9.550
  855   2HG   LYS 106          1HG       LYS 106   2.809 -13.760  -8.590
  856   1HD   LYS 106          2HD       LYS 106   1.948 -14.808 -10.419
  857   2HD   LYS 106          1HD       LYS 106   1.814 -13.312 -11.345
  858   1HE   LYS 106          2HE       LYS 106   4.200 -13.308 -11.748
  859   2HE   LYS 106          1HE       LYS 106   4.401 -14.732 -10.729
  860   1HZ   LYS 106          1HZ       LYS 106   2.484 -15.139 -12.814
  861   2HZ   LYS 106          2HZ       LYS 106   3.835 -16.067 -12.398
  862   3HZ   LYS 106          3HZ       LYS 106   4.008 -14.732 -13.424
  863    H    VAL 107           H        VAL 107  -1.939 -12.112  -7.801
  864    HA   VAL 107           HA       VAL 107  -1.379  -9.676  -6.311
  865    HB   VAL 107           HB       VAL 107  -3.743 -10.822  -7.673
  866   1HG1  VAL 107          1HG1      VAL 107  -5.143  -9.048  -6.355
  867   2HG1  VAL 107          2HG1      VAL 107  -3.949  -9.341  -5.091
  868   3HG1  VAL 107          3HG1      VAL 107  -4.926 -10.674  -5.704
  869   1HG2  VAL 107          1HG2      VAL 107  -3.888  -8.735  -8.643
  870   2HG2  VAL 107          2HG2      VAL 107  -2.155  -8.877  -8.352
  871   3HG2  VAL 107          3HG2      VAL 107  -3.159  -7.924  -7.258
  872    H    LEU 108           H        LEU 108  -1.755  -9.356  -4.172
  873    HA   LEU 108           HA       LEU 108  -2.408 -11.744  -2.587
  874   1HB   LEU 108          2HB       LEU 108  -0.659  -9.382  -2.141
  875   2HB   LEU 108          1HB       LEU 108  -1.430 -10.097  -0.738
  876    HG   LEU 108           HG       LEU 108  -0.376 -12.293  -2.021
  877   1HD1  LEU 108          1HD1      LEU 108   0.809 -10.456  -3.448
  878   2HD1  LEU 108          2HD1      LEU 108   1.713 -11.858  -2.875
  879   3HD1  LEU 108          3HD1      LEU 108   1.854 -10.314  -2.035
  880   1HD2  LEU 108          1HD2      LEU 108   1.400 -10.976  -0.084
  881   2HD2  LEU 108          2HD2      LEU 108   0.671 -12.581  -0.050
  882   3HD2  LEU 108          3HD2      LEU 108  -0.273 -11.173   0.438
  883    H    LYS 109           H        LYS 109  -3.508 -11.262  -0.458
  884    HA   LYS 109           HA       LYS 109  -5.556  -9.179  -0.805
  885   1HB   LYS 109          2HB       LYS 109  -5.840 -12.047  -0.436
  886   2HB   LYS 109          1HB       LYS 109  -6.692 -11.143   0.809
  887   1HG   LYS 109          2HG       LYS 109  -7.695  -9.792  -1.117
  888   2HG   LYS 109          1HG       LYS 109  -7.102 -11.086  -2.158
  889   1HD   LYS 109          2HD       LYS 109  -8.748 -11.722   0.260
  890   2HD   LYS 109          1HD       LYS 109  -9.525 -11.203  -1.238
  891   1HE   LYS 109          2HE       LYS 109  -9.236 -13.204  -2.173
  892   2HE   LYS 109          1HE       LYS 109  -7.528 -13.228  -1.739
  893   1HZ   LYS 109          1HZ       LYS 109  -8.932 -13.660   0.604
  894   2HZ   LYS 109          2HZ       LYS 109  -8.022 -14.788  -0.267
  895   3HZ   LYS 109          3HZ       LYS 109  -9.680 -14.633  -0.562
  896    H    ILE 110           H        ILE 110  -6.232  -8.071   1.018
  897    HA   ILE 110           HA       ILE 110  -4.327  -7.946   3.174
  898    HB   ILE 110           HB       ILE 110  -5.550  -5.960   2.145
  899   1HG1  ILE 110          2HG1      ILE 110  -5.972  -5.003   4.584
  900   2HG1  ILE 110          1HG1      ILE 110  -5.183  -6.504   5.058
  901   1HG2  ILE 110          1HG2      ILE 110  -7.801  -7.193   2.415
  902   2HG2  ILE 110          2HG2      ILE 110  -7.740  -5.459   2.733
  903   3HG2  ILE 110          3HG2      ILE 110  -7.746  -6.602   4.075
  904   1HD1  ILE 110          1HD1      ILE 110  -4.035  -4.072   4.077
  905   2HD1  ILE 110          2HD1      ILE 110  -3.590  -5.424   3.035
  906   3HD1  ILE 110          3HD1      ILE 110  -3.243  -5.492   4.763
  907    H    THR 111           H        THR 111  -7.154  -9.713   2.581
  908    HA   THR 111           HA       THR 111  -8.278  -9.865   5.155
  909    HB   THR 111           HB       THR 111  -8.338 -12.235   3.329
  910    HG1  THR 111           1HG      THR 111  -8.610 -10.042   2.208
  911   1HG2  THR 111          1HG2      THR 111 -10.883 -11.725   4.041
  912   2HG2  THR 111          2HG2      THR 111 -10.038 -11.001   5.409
  913   3HG2  THR 111          3HG2      THR 111  -9.783 -12.700   5.015
  914    H    ASP 112           H        ASP 112  -5.689 -11.690   3.606
  915    HA   ASP 112           HA       ASP 112  -5.427 -13.523   5.814
  916   1HB   ASP 112          2HB       ASP 112  -4.818 -13.783   3.225
  917   2HB   ASP 112          1HB       ASP 112  -3.250 -13.236   3.808
  918    H    PHE 113           H        PHE 113  -4.677 -10.365   5.558
  919    HA   PHE 113           HA       PHE 113  -2.504 -10.626   7.509
  920   1HB   PHE 113          2HB       PHE 113  -2.414  -9.187   4.903
  921   2HB   PHE 113          1HB       PHE 113  -1.631  -8.424   6.283
  922    HD1  PHE 113           1HD      PHE 113  -1.588 -11.287   4.004
  923    HD2  PHE 113           2HD      PHE 113   0.352  -9.367   7.268
  924    HE1  PHE 113           1HE      PHE 113   0.394 -12.705   3.655
  925    HE2  PHE 113           2HE      PHE 113   2.337 -10.782   6.926
  926    HZ   PHE 113           HZ       PHE 113   2.358 -12.453   5.118
  927    H    SER 114           H        SER 114  -5.501  -9.730   7.186
  928    HA   SER 114           HA       SER 114  -5.337  -7.723   9.240
  929   1HB   SER 114          2HB       SER 114  -6.430  -7.026   6.510
  930   2HB   SER 114          1HB       SER 114  -6.777  -6.088   7.962
  931    HG   SER 114           HG       SER 114  -4.918  -5.168   7.724
  932    HA   PRO 115           HA       PRO 115  -8.995 -10.621   9.365
  933   1HB   PRO 115          2HB       PRO 115  -8.208 -10.879  12.185
  934   2HB   PRO 115          1HB       PRO 115  -8.489 -12.138  10.980
  935   1HG   PRO 115          2HG       PRO 115  -6.021 -11.566  11.875
  936   2HG   PRO 115          1HG       PRO 115  -6.319 -12.057  10.195
  937   1HD   PRO 115          2HD       PRO 115  -5.866  -9.312  11.316
  938   2HD   PRO 115          1HD       PRO 115  -5.213 -10.045   9.834
  939    H    SER 116           H        SER 116  -8.152  -8.921  12.386
  940    HA   SER 116           HA       SER 116 -10.878  -8.075  12.735
  941   1HB   SER 116          2HB       SER 116  -9.242  -8.748  14.588
  942   2HB   SER 116          1HB       SER 116  -8.530  -7.146  14.383
  943    HG   SER 116           HG       SER 116 -11.247  -7.695  15.003
  944    H    LEU 117           H        LEU 117  -9.231  -7.010  10.446
  945    HA   LEU 117           HA       LEU 117  -9.513  -4.141  11.054
  946   1HB   LEU 117          2HB       LEU 117  -7.210  -5.161  10.427
  947   2HB   LEU 117          1HB       LEU 117  -7.853  -5.207   8.797
  948    HG   LEU 117           HG       LEU 117  -8.364  -2.670   9.240
  949   1HD1  LEU 117          1HD1      LEU 117  -7.611  -2.940  11.654
  950   2HD1  LEU 117          2HD1      LEU 117  -6.951  -1.572  10.758
  951   3HD1  LEU 117          3HD1      LEU 117  -5.969  -3.013  11.017
  952   1HD2  LEU 117          1HD2      LEU 117  -6.621  -3.921   7.710
  953   2HD2  LEU 117          2HD2      LEU 117  -5.469  -3.244   8.860
  954   3HD2  LEU 117          3HD2      LEU 117  -6.540  -2.177   7.952
  955    H    ASN 118           H        ASN 118 -11.693  -5.790  10.267
  956    HA   ASN 118           HA       ASN 118 -12.284  -5.795   7.550
  957   1HB   ASN 118          2HB       ASN 118 -13.592  -6.934   9.368
  958   2HB   ASN 118          1HB       ASN 118 -14.281  -5.367   9.781
  959   1HD2  ASN 118          1HD2      ASN 118 -13.568  -6.787   6.620
  960   2HD2  ASN 118          2HD2      ASN 118 -15.194  -6.739   6.039
  961    H    TYR 119           H        TYR 119 -11.881  -4.000   6.370
  962    HA   TYR 119           HA       TYR 119 -13.387  -1.572   7.085
  963   1HB   TYR 119          2HB       TYR 119 -11.610  -0.175   6.432
  964   2HB   TYR 119          1HB       TYR 119 -10.852  -1.440   7.390
  965    HD1  TYR 119           1HD      TYR 119 -10.121   0.543   4.843
  966    HD2  TYR 119           2HD      TYR 119 -10.488  -3.639   5.541
  967    HE1  TYR 119           1HE      TYR 119  -8.570   0.107   2.994
  968    HE2  TYR 119           2HE      TYR 119  -8.929  -4.087   3.686
  969    HH   TYR 119           HH       TYR 119  -8.214  -2.084   1.361
  970    H    ASP 120           H        ASP 120 -13.412  -0.060   4.997
  971    HA   ASP 120           HA       ASP 120 -14.234  -1.777   2.747
  972   1HB   ASP 120          2HB       ASP 120 -15.503   0.678   3.919
  973   2HB   ASP 120          1HB       ASP 120 -15.781   0.255   2.230
  974    H    GLU 121           H        GLU 121 -11.783  -1.328   2.384
  975    HA   GLU 121           HA       GLU 121 -10.170  -0.443   1.059
  976   1HB   GLU 121          2HB       GLU 121 -12.449   0.950  -0.355
  977   2HB   GLU 121          1HB       GLU 121 -10.848   0.627  -1.005
  978   1HG   GLU 121          2HG       GLU 121 -11.568  -1.302  -1.801
  979   2HG   GLU 121          1HG       GLU 121 -11.926  -1.842  -0.162
  980    H    VAL 122           H        VAL 122  -8.831   0.968   1.968
  981    HA   VAL 122           HA       VAL 122  -7.927   2.892   2.769
  982    HB   VAL 122           HB       VAL 122 -10.097   4.386   1.309
  983   1HG1  VAL 122          1HG1      VAL 122  -7.243   5.061   2.008
  984   2HG1  VAL 122          2HG1      VAL 122  -8.697   5.750   2.730
  985   3HG1  VAL 122          3HG1      VAL 122  -8.316   6.070   1.038
  986   1HG2  VAL 122          1HG2      VAL 122  -8.989   2.589  -0.093
  987   2HG2  VAL 122          2HG2      VAL 122  -7.492   3.500   0.093
  988   3HG2  VAL 122          3HG2      VAL 122  -8.878   4.238  -0.710
  989    HA   PRO 123           HA       PRO 123 -10.459   3.713   6.355
  990   1HB   PRO 123          2HB       PRO 123  -8.649   5.047   7.815
  991   2HB   PRO 123          1HB       PRO 123  -8.484   3.316   7.498
  992   1HG   PRO 123          2HG       PRO 123  -7.117   5.624   6.175
  993   2HG   PRO 123          1HG       PRO 123  -6.441   4.068   6.687
  994   1HD   PRO 123          2HD       PRO 123  -7.177   4.656   4.107
  995   2HD   PRO 123          1HD       PRO 123  -7.115   3.014   4.775
  996    H    ASP 124           H        ASP 124  -9.525   6.238   7.777
  997    HA   ASP 124           HA       ASP 124 -10.040   8.449   7.915
  998   1HB   ASP 124          2HB       ASP 124  -9.292   9.560   6.130
  999   2HB   ASP 124          1HB       ASP 124  -9.372   8.084   5.173
 1000    HA   PRO 125           HA       PRO 125 -14.377   8.644   8.506
 1001   1HB   PRO 125          2HB       PRO 125 -14.897  11.300   7.916
 1002   2HB   PRO 125          1HB       PRO 125 -14.305  10.696   9.467
 1003   1HG   PRO 125          2HG       PRO 125 -12.789  11.923   7.207
 1004   2HG   PRO 125          1HG       PRO 125 -12.571  12.137   8.953
 1005   1HD   PRO 125          2HD       PRO 125 -10.934  10.573   7.523
 1006   2HD   PRO 125          1HD       PRO 125 -11.411  10.142   9.178
 1007    H    TRP 126           H        TRP 126 -13.216  10.140   5.509
 1008    HA   TRP 126           HA       TRP 126 -15.660  10.297   4.164
 1009   1HB   TRP 126          2HB       TRP 126 -13.840  11.439   3.192
 1010   2HB   TRP 126          1HB       TRP 126 -12.813  10.012   3.224
 1011    HD1  TRP 126           HD       TRP 126 -12.623   8.714   1.021
 1012    HE1  TRP 126           1HE      TRP 126 -13.876   8.719  -1.224
 1013    HE3  TRP 126           3HE      TRP 126 -16.441  11.896   2.227
 1014    HZ2  TRP 126           2HZ      TRP 126 -16.173   9.909  -2.339
 1015    HZ3  TRP 126           3HZ      TRP 126 -18.126  12.415   0.510
 1016    HH2  TRP 126           HH       TRP 126 -17.993  11.443  -1.726
 1017    H    TYR 127           H        TYR 127 -13.795   7.580   5.059
 1018    HA   TYR 127           HA       TYR 127 -15.290   5.856   3.203
 1019   1HB   TYR 127          2HB       TYR 127 -12.608   5.584   4.511
 1020   2HB   TYR 127          1HB       TYR 127 -13.483   4.148   3.997
 1021    HD1  TYR 127           1HD      TYR 127 -11.520   7.002   2.928
 1022    HD2  TYR 127           2HD      TYR 127 -13.994   3.811   1.597
 1023    HE1  TYR 127           1HE      TYR 127 -10.656   7.298   0.648
 1024    HE2  TYR 127           2HE      TYR 127 -13.137   4.087  -0.687
 1025    HH   TYR 127           HH       TYR 127 -10.650   6.512  -1.436
 1026    H    SER 128           H        SER 128 -13.839   5.504   6.455
 1027    HA   SER 128           HA       SER 128 -15.960   3.677   7.201
 1028   1HB   SER 128          2HB       SER 128 -13.262   4.167   8.037
 1029   2HB   SER 128          1HB       SER 128 -14.328   4.237   9.439
 1030    HG   SER 128           HG       SER 128 -13.648   2.099   7.834
 1031    H    GLY 129           H        GLY 129 -14.621   6.659   8.686
 1032   1HA   GLY 129          2HA       GLY 129 -16.873   8.109   9.029
 1033   2HA   GLY 129          1HA       GLY 129 -17.003   6.921  10.312
 1034    H    ASN 130           H        ASN 130 -14.283   6.753  11.075
 1035    HA   ASN 130           HA       ASN 130 -13.923   9.456  12.183
 1036   1HB   ASN 130          2HB       ASN 130 -12.913   8.463  14.129
 1037   2HB   ASN 130          1HB       ASN 130 -14.450   7.659  13.827
 1038   1HD2  ASN 130          1HD2      ASN 130 -10.991   7.361  13.749
 1039   2HD2  ASN 130          2HD2      ASN 130 -10.943   5.640  13.614
 1040    H    PHE 131           H        PHE 131 -11.552   9.791  12.948
 1041    HA   PHE 131           HA       PHE 131  -9.910   9.518  10.571
 1042   1HB   PHE 131          2HB       PHE 131  -9.313  10.967  13.157
 1043   2HB   PHE 131          1HB       PHE 131  -8.430  11.124  11.643
 1044    HD1  PHE 131           1HD      PHE 131 -11.565  11.908  13.389
 1045    HD2  PHE 131           2HD      PHE 131  -9.249  12.489   9.867
 1046    HE1  PHE 131           1HE      PHE 131 -13.046  13.757  12.725
 1047    HE2  PHE 131           2HE      PHE 131 -10.726  14.339   9.197
 1048    HZ   PHE 131           HZ       PHE 131 -12.628  14.976  10.627
 1049    H    ASP 132           H        ASP 132  -9.896   8.465  13.928
 1050    HA   ASP 132           HA       ASP 132  -7.351   7.485  14.228
 1051   1HB   ASP 132          2HB       ASP 132  -9.753   5.964  15.224
 1052   2HB   ASP 132          1HB       ASP 132  -8.171   6.125  15.980
 1053    H    GLU 133           H        GLU 133  -9.807   6.291  12.132
 1054    HA   GLU 133           HA       GLU 133  -9.161   3.606  11.899
 1055   1HB   GLU 133          2HB       GLU 133  -9.921   5.394   9.590
 1056   2HB   GLU 133          1HB       GLU 133 -10.173   3.659   9.718
 1057   1HG   GLU 133          2HG       GLU 133 -11.424   5.526  11.684
 1058   2HG   GLU 133          1HG       GLU 133 -12.147   5.262  10.097
 1059    H    THR 134           H        THR 134  -7.818   6.358  10.074
 1060    HA   THR 134           HA       THR 134  -6.121   5.059   8.375
 1061    HB   THR 134           HB       THR 134  -4.530   7.074   8.772
 1062    HG1  THR 134           1HG      THR 134  -6.430   8.656   9.732
 1063   1HG2  THR 134          1HG2      THR 134  -6.680   6.667   7.154
 1064   2HG2  THR 134          2HG2      THR 134  -5.629   8.081   7.085
 1065   3HG2  THR 134          3HG2      THR 134  -7.145   8.152   7.983
 1066    H    TYR 135           H        TYR 135  -5.545   5.774  11.802
 1067    HA   TYR 135           HA       TYR 135  -2.871   4.869  11.846
 1068   1HB   TYR 135          2HB       TYR 135  -4.351   6.165  13.648
 1069   2HB   TYR 135          1HB       TYR 135  -4.550   4.535  14.282
 1070    HD1  TYR 135           1HD      TYR 135  -3.230   4.330  16.171
 1071    HD2  TYR 135           2HD      TYR 135  -1.608   6.261  12.743
 1072    HE1  TYR 135           1HE      TYR 135  -1.052   4.498  17.300
 1073    HE2  TYR 135           2HE      TYR 135   0.572   6.433  13.864
 1074    HH   TYR 135           HH       TYR 135   1.215   6.455  16.645
 1075    H    LYS 136           H        LYS 136  -5.860   3.238  12.920
 1076    HA   LYS 136           HA       LYS 136  -4.723   0.787  13.551
 1077   1HB   LYS 136          2HB       LYS 136  -7.472   1.456  12.503
 1078   2HB   LYS 136          1HB       LYS 136  -7.021  -0.153  13.055
 1079   1HG   LYS 136          2HG       LYS 136  -6.798   2.304  14.774
 1080   2HG   LYS 136          1HG       LYS 136  -8.226   1.268  14.730
 1081   1HD   LYS 136          2HD       LYS 136  -6.666  -0.657  15.284
 1082   2HD   LYS 136          1HD       LYS 136  -5.443   0.566  15.634
 1083   1HE   LYS 136          2HE       LYS 136  -8.134   0.788  16.903
 1084   2HE   LYS 136          1HE       LYS 136  -6.977  -0.382  17.539
 1085   1HZ   LYS 136          1HZ       LYS 136  -6.257   1.348  18.734
 1086   2HZ   LYS 136          2HZ       LYS 136  -6.972   2.499  17.721
 1087   3HZ   LYS 136          3HZ       LYS 136  -5.471   1.830  17.316
 1088    H    ILE 137           H        ILE 137  -6.323   1.638  10.482
 1089    HA   ILE 137           HA       ILE 137  -5.741  -0.744   9.142
 1090    HB   ILE 137           HB       ILE 137  -5.954   1.855   7.672
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.638   1.952   9.461
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.391   1.778   7.882
 1093   1HG2  ILE 137          1HG2      ILE 137  -7.631  -0.145   6.629
 1094   2HG2  ILE 137          2HG2      ILE 137  -6.096  -0.921   7.017
 1095   3HG2  ILE 137          3HG2      ILE 137  -6.130   0.480   5.948
 1096   1HD1  ILE 137          1HD1      ILE 137  -7.938  -0.485   9.811
 1097   2HD1  ILE 137          2HD1      ILE 137  -8.846  -0.537   8.300
 1098   3HD1  ILE 137          3HD1      ILE 137  -9.443   0.422   9.655
 1099    H    LEU 138           H        LEU 138  -4.186   2.418   8.513
 1100    HA   LEU 138           HA       LEU 138  -2.185   1.469   6.858
 1101   1HB   LEU 138          2HB       LEU 138  -2.159   3.856   8.692
 1102   2HB   LEU 138          1HB       LEU 138  -0.948   3.552   7.460
 1103    HG   LEU 138           HG       LEU 138  -3.827   3.668   6.669
 1104   1HD1  LEU 138          1HD1      LEU 138  -2.061   6.020   7.295
 1105   2HD1  LEU 138          2HD1      LEU 138  -3.665   5.661   7.936
 1106   3HD1  LEU 138          3HD1      LEU 138  -3.473   6.121   6.244
 1107   1HD2  LEU 138          1HD2      LEU 138  -3.008   3.756   4.592
 1108   2HD2  LEU 138          2HD2      LEU 138  -1.492   3.216   5.313
 1109   3HD2  LEU 138          3HD2      LEU 138  -1.772   4.934   5.031
 1110    H    SER 139           H        SER 139  -1.779   2.248  10.331
 1111    HA   SER 139           HA       SER 139   0.853   1.468  10.572
 1112   1HB   SER 139          2HB       SER 139  -0.741   2.569  12.303
 1113   2HB   SER 139          1HB       SER 139  -1.078   0.908  12.799
 1114    HG   SER 139           HG       SER 139   1.524   1.081  12.609
 1115    H    LEU 140           H        LEU 140  -2.003  -0.604  11.188
 1116    HA   LEU 140           HA       LEU 140  -0.502  -2.913  11.787
 1117   1HB   LEU 140          2HB       LEU 140  -3.209  -2.202  11.708
 1118   2HB   LEU 140          1HB       LEU 140  -3.053  -3.551  10.600
 1119    HG   LEU 140           HG       LEU 140  -3.661  -4.353  12.801
 1120   1HD1  LEU 140          1HD1      LEU 140  -0.765  -5.006  12.296
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.110  -5.687  11.380
 1122   3HD1  LEU 140          3HD1      LEU 140  -1.966  -6.011  13.108
 1123   1HD2  LEU 140          1HD2      LEU 140  -2.768  -2.500  14.118
 1124   2HD2  LEU 140          2HD2      LEU 140  -1.125  -3.034  13.763
 1125   3HD2  LEU 140          3HD2      LEU 140  -2.193  -4.052  14.727
 1126    H    ALA 141           H        ALA 141  -2.294  -2.135   8.799
 1127    HA   ALA 141           HA       ALA 141  -1.517  -4.329   7.305
 1128   1HB   ALA 141          1HB       ALA 141  -2.796  -1.811   6.810
 1129   2HB   ALA 141          2HB       ALA 141  -2.964  -3.342   5.951
 1130   3HB   ALA 141          3HB       ALA 141  -1.696  -2.207   5.489
 1131    H    CYS 142           H        CYS 142   0.089  -1.158   7.497
 1132    HA   CYS 142           HA       CYS 142   2.118  -1.704   5.636
 1133   1HB   CYS 142          2HB       CYS 142   1.497   0.558   6.535
 1134   2HB   CYS 142          1HB       CYS 142   2.344   0.138   8.020
 1135    HG   CYS 142           HG       CYS 142   4.839  -0.145   6.758
 1136    H    LYS 143           H        LYS 143   1.954  -2.268   9.123
 1137    HA   LYS 143           HA       LYS 143   4.666  -2.986   9.463
 1138   1HB   LYS 143          2HB       LYS 143   3.174  -2.365  11.327
 1139   2HB   LYS 143          1HB       LYS 143   2.265  -3.850  11.084
 1140   1HG   LYS 143          2HG       LYS 143   5.077  -4.403  11.398
 1141   2HG   LYS 143          1HG       LYS 143   4.449  -3.470  12.758
 1142   1HD   LYS 143          2HD       LYS 143   3.423  -5.267  13.573
 1143   2HD   LYS 143          1HD       LYS 143   2.582  -5.525  12.044
 1144   1HE   LYS 143          2HE       LYS 143   4.205  -6.971  11.247
 1145   2HE   LYS 143          1HE       LYS 143   5.445  -6.334  12.327
 1146   1HZ   LYS 143          1HZ       LYS 143   4.511  -8.604  12.870
 1147   2HZ   LYS 143          2HZ       LYS 143   3.092  -7.814  13.341
 1148   3HZ   LYS 143          3HZ       LYS 143   4.548  -7.485  14.139
 1149    H    ASN 144           H        ASN 144   1.813  -5.135   9.458
 1150    HA   ASN 144           HA       ASN 144   3.165  -7.542   9.344
 1151   1HB   ASN 144          2HB       ASN 144   0.439  -6.652   8.529
 1152   2HB   ASN 144          1HB       ASN 144   0.975  -8.248   8.017
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.175  -7.811   9.734
 1154   2HD2  ASN 144          2HD2      ASN 144  -0.781  -8.461  11.286
 1155    H    LEU 145           H        LEU 145   1.969  -5.586   6.621
 1156    HA   LEU 145           HA       LEU 145   2.837  -7.307   4.585
 1157   1HB   LEU 145          2HB       LEU 145   1.856  -4.569   4.777
 1158   2HB   LEU 145          1HB       LEU 145   3.026  -4.777   3.489
 1159    HG   LEU 145           HG       LEU 145   0.480  -6.367   3.822
 1160   1HD1  LEU 145          1HD1      LEU 145   1.222  -3.971   2.222
 1161   2HD1  LEU 145          2HD1      LEU 145  -0.289  -4.360   3.046
 1162   3HD1  LEU 145          3HD1      LEU 145   0.114  -5.152   1.523
 1163   1HD2  LEU 145          1HD2      LEU 145   2.312  -7.664   2.810
 1164   2HD2  LEU 145          2HD2      LEU 145   2.508  -6.406   1.590
 1165   3HD2  LEU 145          3HD2      LEU 145   1.012  -7.335   1.665
 1166    H    LEU 146           H        LEU 146   4.486  -4.666   6.267
 1167    HA   LEU 146           HA       LEU 146   6.752  -4.459   4.669
 1168   1HB   LEU 146          2HB       LEU 146   6.075  -3.037   6.681
 1169   2HB   LEU 146          1HB       LEU 146   6.822  -4.275   7.673
 1170    HG   LEU 146           HG       LEU 146   8.891  -3.818   6.083
 1171   1HD1  LEU 146          1HD1      LEU 146   7.135  -1.427   5.775
 1172   2HD1  LEU 146          2HD1      LEU 146   8.144  -2.243   4.582
 1173   3HD1  LEU 146          3HD1      LEU 146   8.886  -1.225   5.816
 1174   1HD2  LEU 146          1HD2      LEU 146   7.947  -2.517   8.568
 1175   2HD2  LEU 146          2HD2      LEU 146   9.348  -1.805   7.768
 1176   3HD2  LEU 146          3HD2      LEU 146   9.384  -3.494   8.273
 1177    H    VAL 147           H        VAL 147   6.063  -6.669   7.346
 1178    HA   VAL 147           HA       VAL 147   8.589  -7.938   7.382
 1179    HB   VAL 147           HB       VAL 147   5.932  -9.120   8.207
 1180   1HG1  VAL 147          1HG1      VAL 147   7.968 -10.636   7.933
 1181   2HG1  VAL 147          2HG1      VAL 147   7.132 -10.678   9.485
 1182   3HG1  VAL 147          3HG1      VAL 147   8.641  -9.782   9.322
 1183   1HG2  VAL 147          1HG2      VAL 147   7.911  -7.578   9.882
 1184   2HG2  VAL 147          2HG2      VAL 147   6.386  -8.279  10.426
 1185   3HG2  VAL 147          3HG2      VAL 147   6.381  -6.940   9.278
 1186    H    PHE 148           H        PHE 148   5.603  -8.575   5.616
 1187    HA   PHE 148           HA       PHE 148   6.336 -11.074   4.536
 1188   1HB   PHE 148          2HB       PHE 148   4.030 -10.380   4.508
 1189   2HB   PHE 148          1HB       PHE 148   4.417  -8.963   3.537
 1190    HD1  PHE 148           1HD      PHE 148   4.609  -9.103   1.177
 1191    HD2  PHE 148           2HD      PHE 148   4.140 -12.637   3.501
 1192    HE1  PHE 148           1HE      PHE 148   4.169 -10.388  -0.874
 1193    HE2  PHE 148           2HE      PHE 148   3.700 -13.929   1.454
 1194    HZ   PHE 148           HZ       PHE 148   3.716 -12.805  -0.738
 1195    H    LEU 149           H        LEU 149   6.414  -7.838   3.023
 1196    HA   LEU 149           HA       LEU 149   7.701  -8.693   0.667
 1197   1HB   LEU 149          2HB       LEU 149   8.190  -6.272   0.324
 1198   2HB   LEU 149          1HB       LEU 149   6.501  -6.638   0.624
 1199    HG   LEU 149           HG       LEU 149   7.414  -6.082   3.148
 1200   1HD1  LEU 149          1HD1      LEU 149   9.533  -5.301   1.751
 1201   2HD1  LEU 149          2HD1      LEU 149   8.981  -4.438   3.187
 1202   3HD1  LEU 149          3HD1      LEU 149   8.557  -3.841   1.583
 1203   1HD2  LEU 149          1HD2      LEU 149   6.426  -3.726   2.531
 1204   2HD2  LEU 149          2HD2      LEU 149   5.396  -5.157   2.586
 1205   3HD2  LEU 149          3HD2      LEU 149   5.980  -4.551   1.036
 1206    H    SER 150           H        SER 150   8.938  -7.675   3.781
 1207    HA   SER 150           HA       SER 150  11.635  -7.327   2.886
 1208   1HB   SER 150          2HB       SER 150  12.202  -7.070   5.218
 1209   2HB   SER 150          1HB       SER 150  10.689  -6.214   4.918
 1210    HG   SER 150           HG       SER 150  10.025  -7.367   6.553
 1211    H    LYS 151           H        LYS 151   9.822 -10.025   3.049
 1212    HA   LYS 151           HA       LYS 151  10.234 -12.259   3.143
 1213   1HB   LYS 151          2HB       LYS 151  12.833 -11.091   2.260
 1214   2HB   LYS 151          1HB       LYS 151  12.790 -12.796   2.685
 1215   1HG   LYS 151          2HG       LYS 151  10.762 -12.890   1.074
 1216   2HG   LYS 151          1HG       LYS 151  11.411 -11.370   0.455
 1217   1HD   LYS 151          2HD       LYS 151  13.104 -12.397  -0.591
 1218   2HD   LYS 151          1HD       LYS 151  13.441 -13.437   0.793
 1219   1HE   LYS 151          2HE       LYS 151  11.539 -14.868   0.140
 1220   2HE   LYS 151          1HE       LYS 151  11.290 -13.852  -1.280
 1221   1HZ   LYS 151          1HZ       LYS 151  13.988 -14.706  -1.122
 1222   2HZ   LYS 151          2HZ       LYS 151  12.864 -14.951  -2.361
 1223   3HZ   LYS 151          3HZ       LYS 151  12.952 -16.042  -1.072
 1224    H    HIS 152           H        HIS 152   9.917 -11.355   5.594
 1225    HA   HIS 152           HA       HIS 152  12.084 -12.597   7.161
 1226   1HB   HIS 152          2HB       HIS 152  10.588 -10.072   7.549
 1227   2HB   HIS 152          1HB       HIS 152  10.852 -11.038   8.998
 1228    HD1  HIS 152           1HD      HIS 152  13.136 -10.947  10.036
 1229    HD2  HIS 152           2HD      HIS 152  13.031  -9.234   6.253
 1230    HE1  HIS 152           1HE      HIS 152  15.374  -9.843   9.736
 1231    HE2  HIS 152           2HE      HIS 152  15.322  -8.891   7.404
 1232    H    HIS 153           H        HIS 153  11.543 -14.297   8.367
 1233    HA   HIS 153           HA       HIS 153   8.746 -15.105   8.461
 1234   1HB   HIS 153          2HB       HIS 153  11.288 -16.552   9.231
 1235   2HB   HIS 153          1HB       HIS 153   9.676 -17.247   9.362
 1236    HD1  HIS 153           1HD      HIS 153  12.458 -17.251   7.183
 1237    HD2  HIS 153           2HD      HIS 153   8.343 -17.087   6.619
 1238    HE1  HIS 153           1HE      HIS 153  12.075 -17.980   4.807
 1239    HE2  HIS 153           2HE      HIS 153   9.583 -17.822   4.471
 1240    H    HIS 154           H        HIS 154   8.856 -16.701  10.787
 1241    HA   HIS 154           HA       HIS 154   8.414 -14.649  12.779
 1242   1HB   HIS 154          2HB       HIS 154   7.384 -16.370  14.098
 1243   2HB   HIS 154          1HB       HIS 154   6.840 -16.571  12.437
 1244    HD1  HIS 154           1HD      HIS 154   8.024 -18.480  15.189
 1245    HD2  HIS 154           2HD      HIS 154   8.572 -18.654  11.074
 1246    HE1  HIS 154           1HE      HIS 154   8.815 -20.818  14.716
 1247    HE2  HIS 154           2HE      HIS 154   9.247 -20.865  12.235
 1248    H    HIS 155           H        HIS 155  10.826 -17.005  11.998
 1249    HA   HIS 155           HA       HIS 155  12.284 -16.270  14.449
 1250   1HB   HIS 155          2HB       HIS 155  11.390 -18.804  13.873
 1251   2HB   HIS 155          1HB       HIS 155  13.040 -18.846  13.262
 1252    HD1  HIS 155           1HD      HIS 155  14.389 -19.986  14.995
 1253    HD2  HIS 155           2HD      HIS 155  11.710 -17.277  16.653
 1254    HE1  HIS 155           1HE      HIS 155  14.879 -19.980  17.462
 1255    HE2  HIS 155           2HE      HIS 155  13.250 -18.327  18.445
 1256    H    HIS 156           H        HIS 156  13.492 -18.311  11.862
 1257    HA   HIS 156           HA       HIS 156  14.979 -16.137  10.650
 1258   1HB   HIS 156          2HB       HIS 156  17.163 -17.355  10.964
 1259   2HB   HIS 156          1HB       HIS 156  16.493 -16.644  12.430
 1260    HD1  HIS 156           1HD      HIS 156  15.828 -20.027  10.807
 1261    HD2  HIS 156           2HD      HIS 156  17.117 -18.384  14.399
 1262    HE1  HIS 156           1HE      HIS 156  16.132 -21.976  12.367
 1263    HE2  HIS 156           2HE      HIS 156  16.991 -20.965  14.509
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  17.782  -8.112  -7.496
    2   2H    MET   1          2HT       MET   1  18.552  -7.902  -8.987
    3   3H    MET   1          3HT       MET   1  17.283  -9.010  -8.840
    4    HA   MET   1           HA       MET   1  16.969  -6.102  -8.391
    5   1HB   MET   1          2HB       MET   1  17.089  -7.707 -10.857
    6   2HB   MET   1          1HB       MET   1  15.684  -6.656 -10.743
    7   1HG   MET   1          2HG       MET   1  17.950  -5.154  -9.956
    8   2HG   MET   1          1HG       MET   1  18.351  -6.000 -11.450
    9   1HE   MET   1          1HE       MET   1  15.985  -2.820 -10.122
   10   2HE   MET   1          2HE       MET   1  15.468  -4.448  -9.684
   11   3HE   MET   1          3HE       MET   1  14.573  -3.536 -10.900
   12    H    LYS   2           H        LYS   2  15.451  -6.209  -6.810
   13    HA   LYS   2           HA       LYS   2  13.069  -7.865  -7.318
   14   1HB   LYS   2          2HB       LYS   2  14.228  -6.831  -4.726
   15   2HB   LYS   2          1HB       LYS   2  12.655  -7.609  -4.848
   16   1HG   LYS   2          2HG       LYS   2  14.586  -9.271  -6.115
   17   2HG   LYS   2          1HG       LYS   2  15.189  -8.809  -4.522
   18   1HD   LYS   2          2HD       LYS   2  12.547  -9.394  -4.034
   19   2HD   LYS   2          1HD       LYS   2  12.996 -10.589  -5.253
   20   1HE   LYS   2          2HE       LYS   2  14.332 -11.705  -3.839
   21   2HE   LYS   2          1HE       LYS   2  14.991 -10.225  -3.145
   22   1HZ   LYS   2          1HZ       LYS   2  12.277 -11.212  -2.493
   23   2HZ   LYS   2          2HZ       LYS   2  13.186 -10.046  -1.673
   24   3HZ   LYS   2          3HZ       LYS   2  13.646 -11.673  -1.611
   25    H    LYS   3           H        LYS   3  11.179  -6.884  -7.675
   26    HA   LYS   3           HA       LYS   3  10.914  -4.043  -6.945
   27   1HB   LYS   3          2HB       LYS   3  10.349  -5.396  -9.557
   28   2HB   LYS   3          1HB       LYS   3   9.417  -3.980  -9.089
   29   1HG   LYS   3          2HG       LYS   3  12.103  -3.314  -8.646
   30   2HG   LYS   3          1HG       LYS   3  12.048  -4.137 -10.207
   31   1HD   LYS   3          2HD       LYS   3   9.895  -2.527 -10.437
   32   2HD   LYS   3          1HD       LYS   3  10.914  -1.540  -9.386
   33   1HE   LYS   3          2HE       LYS   3  12.047  -0.885 -11.179
   34   2HE   LYS   3          1HE       LYS   3  12.609  -2.544 -11.381
   35   1HZ   LYS   3          1HZ       LYS   3  10.277  -1.238 -12.653
   36   2HZ   LYS   3          2HZ       LYS   3  10.458  -2.920 -12.623
   37   3HZ   LYS   3          3HZ       LYS   3  11.612  -1.960 -13.402
   38    H    ILE   4           H        ILE   4   9.030  -3.447  -6.013
   39    HA   ILE   4           HA       ILE   4   6.863  -5.442  -5.916
   40    HB   ILE   4           HB       ILE   4   7.787  -3.687  -3.638
   41   1HG1  ILE   4          2HG1      ILE   4   7.885  -6.248  -2.735
   42   2HG1  ILE   4          1HG1      ILE   4   8.300  -6.482  -4.430
   43   1HG2  ILE   4          1HG2      ILE   4   5.241  -4.825  -4.169
   44   2HG2  ILE   4          2HG2      ILE   4   5.776  -3.946  -2.736
   45   3HG2  ILE   4          3HG2      ILE   4   5.961  -5.698  -2.815
   46   1HD1  ILE   4          1HD1      ILE   4   9.909  -4.412  -3.824
   47   2HD1  ILE   4          2HD1      ILE   4  10.380  -6.107  -3.689
   48   3HD1  ILE   4          3HD1      ILE   4   9.829  -5.229  -2.263
   49    H    LEU   5           H        LEU   5   5.284  -4.603  -7.125
   50    HA   LEU   5           HA       LEU   5   4.843  -1.751  -7.251
   51   1HB   LEU   5          2HB       LEU   5   4.374  -3.890  -8.965
   52   2HB   LEU   5          1HB       LEU   5   2.774  -3.380  -8.462
   53    HG   LEU   5           HG       LEU   5   4.865  -1.683  -9.826
   54   1HD1  LEU   5          1HD1      LEU   5   3.660  -3.257 -11.276
   55   2HD1  LEU   5          2HD1      LEU   5   3.256  -1.579 -11.637
   56   3HD1  LEU   5          3HD1      LEU   5   2.129  -2.580 -10.722
   57   1HD2  LEU   5          1HD2      LEU   5   2.581  -0.939  -8.183
   58   2HD2  LEU   5          2HD2      LEU   5   2.504  -0.265  -9.811
   59   3HD2  LEU   5          3HD2      LEU   5   3.909   0.049  -8.792
   60    H    PHE   6           H        PHE   6   3.698  -0.727  -5.761
   61    HA   PHE   6           HA       PHE   6   1.719  -2.148  -4.154
   62   1HB   PHE   6          2HB       PHE   6   3.295   0.338  -3.900
   63   2HB   PHE   6          1HB       PHE   6   1.654   0.441  -3.279
   64    HD1  PHE   6           1HD      PHE   6   2.149   0.667  -0.996
   65    HD2  PHE   6           2HD      PHE   6   3.773  -2.604  -3.190
   66    HE1  PHE   6           1HE      PHE   6   2.882  -0.377   1.106
   67    HE2  PHE   6           2HE      PHE   6   4.502  -3.651  -1.090
   68    HZ   PHE   6           HZ       PHE   6   4.057  -2.539   1.060
   69    H    ILE   7           H        ILE   7  -0.498  -1.770  -4.285
   70    HA   ILE   7           HA       ILE   7  -1.349   0.284  -6.217
   71    HB   ILE   7           HB       ILE   7  -2.797  -2.330  -6.068
   72   1HG1  ILE   7          2HG1      ILE   7  -0.761  -1.906  -8.208
   73   2HG1  ILE   7          1HG1      ILE   7  -0.205  -2.457  -6.631
   74   1HG2  ILE   7          1HG2      ILE   7  -2.485  -0.259  -8.236
   75   2HG2  ILE   7          2HG2      ILE   7  -3.882  -0.460  -7.179
   76   3HG2  ILE   7          3HG2      ILE   7  -3.467  -1.720  -8.341
   77   1HD1  ILE   7          1HD1      ILE   7  -1.461  -4.441  -6.775
   78   2HD1  ILE   7          2HD1      ILE   7  -0.683  -4.240  -8.344
   79   3HD1  ILE   7          3HD1      ILE   7  -2.390  -3.843  -8.149
   80    H    CYS   8           H        CYS   8  -2.351   1.734  -4.936
   81    HA   CYS   8           HA       CYS   8  -4.449   0.729  -3.139
   82   1HB   CYS   8          2HB       CYS   8  -2.596   3.076  -2.915
   83   2HB   CYS   8          1HB       CYS   8  -4.158   3.105  -2.102
   84    HG   CYS   8           HG       CYS   8  -1.956   2.384  -0.376
   85    H    LEU   9           H        LEU   9  -6.454   1.124  -3.770
   86    HA   LEU   9           HA       LEU   9  -7.166   2.361  -6.127
   87   1HB   LEU   9          2HB       LEU   9  -8.575   0.818  -4.751
   88   2HB   LEU   9          1HB       LEU   9  -8.920   2.165  -3.682
   89    HG   LEU   9           HG       LEU   9  -9.615   3.195  -6.123
   90   1HD1  LEU   9          1HD1      LEU   9  -9.478   1.295  -7.436
   91   2HD1  LEU   9          2HD1      LEU   9 -11.177   1.311  -6.963
   92   3HD1  LEU   9          3HD1      LEU   9 -10.043   0.236  -6.146
   93   1HD2  LEU   9          1HD2      LEU   9 -10.848   3.302  -3.975
   94   2HD2  LEU   9          2HD2      LEU   9 -11.428   1.663  -4.267
   95   3HD2  LEU   9          3HD2      LEU   9 -11.885   2.967  -5.362
   96    H    GLY  10           H        GLY  10  -6.538   3.809  -3.040
   97   1HA   GLY  10          2HA       GLY  10  -7.099   6.440  -4.242
   98   2HA   GLY  10          1HA       GLY  10  -7.694   6.064  -2.631
   99    H    ASN  11           H        ASN  11  -4.869   6.759  -4.569
  100    HA   ASN  11           HA       ASN  11  -3.046   6.569  -2.355
  101   1HB   ASN  11          2HB       ASN  11  -2.647   6.362  -4.990
  102   2HB   ASN  11          1HB       ASN  11  -2.274   8.071  -4.796
  103   1HD2  ASN  11          1HD2      ASN  11  -0.557   8.673  -3.411
  104   2HD2  ASN  11          2HD2      ASN  11   0.714   7.563  -3.044
  105    H    ILE  12           H        ILE  12  -5.122   8.210  -1.659
  106    HA   ILE  12           HA       ILE  12  -3.732  10.764  -1.307
  107    HB   ILE  12           HB       ILE  12  -5.836  11.999  -1.631
  108   1HG1  ILE  12          2HG1      ILE  12  -6.969   9.468  -2.814
  109   2HG1  ILE  12          1HG1      ILE  12  -7.248   9.920  -1.134
  110   1HG2  ILE  12          1HG2      ILE  12  -5.235  10.343  -4.070
  111   2HG2  ILE  12          2HG2      ILE  12  -4.163  11.611  -3.476
  112   3HG2  ILE  12          3HG2      ILE  12  -5.797  12.012  -4.001
  113   1HD1  ILE  12          1HD1      ILE  12  -8.669  11.583  -1.678
  114   2HD1  ILE  12          2HD1      ILE  12  -8.908  10.563  -3.097
  115   3HD1  ILE  12          3HD1      ILE  12  -7.833  11.959  -3.184
  116    H    CYS  13           H        CYS  13  -4.812   8.185   0.224
  117    HA   CYS  13           HA       CYS  13  -5.533   9.710   2.612
  118   1HB   CYS  13          2HB       CYS  13  -7.645   8.979   1.587
  119   2HB   CYS  13          1HB       CYS  13  -7.088   7.310   1.638
  120    HG   CYS  13           HG       CYS  13  -7.510   9.223   4.441
  121    H    ARG  14           H        ARG  14  -5.618   6.215   2.000
  122    HA   ARG  14           HA       ARG  14  -3.958   5.731   4.295
  123   1HB   ARG  14          2HB       ARG  14  -5.276   3.920   4.244
  124   2HB   ARG  14          1HB       ARG  14  -5.711   4.190   2.563
  125   1HG   ARG  14          2HG       ARG  14  -4.004   2.848   1.771
  126   2HG   ARG  14          1HG       ARG  14  -3.050   3.012   3.246
  127   1HD   ARG  14          2HD       ARG  14  -3.864   1.032   3.858
  128   2HD   ARG  14          1HD       ARG  14  -5.413   1.840   4.094
  129    HE   ARG  14           HE       ARG  14  -6.200   0.808   2.206
  130   1HH1  ARG  14          1HH1      ARG  14  -2.728   0.529   2.300
  131   2HH1  ARG  14          2HH1      ARG  14  -2.650  -0.555   0.951
  132   1HH2  ARG  14          1HH2      ARG  14  -6.105  -0.616   0.427
  133   2HH2  ARG  14          2HH2      ARG  14  -4.569  -1.204  -0.113
  134    H    SER  15           H        SER  15  -3.613   5.351   0.793
  135    HA   SER  15           HA       SER  15  -1.133   4.126   0.690
  136   1HB   SER  15          2HB       SER  15  -1.563   6.188  -1.358
  137   2HB   SER  15          1HB       SER  15  -1.283   4.455  -1.530
  138    HG   SER  15           HG       SER  15  -3.381   4.959  -2.178
  139    HA   PRO  16           HA       PRO  16   0.831   8.671   0.571
  140   1HB   PRO  16          2HB       PRO  16  -1.109   9.974   2.405
  141   2HB   PRO  16          1HB       PRO  16  -0.262  10.637   1.002
  142   1HG   PRO  16          2HG       PRO  16  -2.842  10.027   0.856
  143   2HG   PRO  16          1HG       PRO  16  -1.754   9.698  -0.505
  144   1HD   PRO  16          2HD       PRO  16  -2.879   7.811   1.524
  145   2HD   PRO  16          1HD       PRO  16  -2.629   7.577  -0.219
  146    H    MET  17           H        MET  17  -0.989   7.743   3.506
  147    HA   MET  17           HA       MET  17   0.882   8.602   5.382
  148   1HB   MET  17          2HB       MET  17  -1.528   7.596   5.662
  149   2HB   MET  17          1HB       MET  17  -0.659   6.078   5.848
  150   1HG   MET  17          2HG       MET  17  -0.048   8.516   7.490
  151   2HG   MET  17          1HG       MET  17  -1.238   7.305   7.969
  152   1HE   MET  17          1HE       MET  17   0.660   6.379  10.481
  153   2HE   MET  17          2HE       MET  17   0.446   8.013   9.852
  154   3HE   MET  17          3HE       MET  17   2.068   7.351  10.051
  155    H    ALA  18           H        ALA  18   0.455   5.285   4.134
  156    HA   ALA  18           HA       ALA  18   2.859   4.317   5.278
  157   1HB   ALA  18          1HB       ALA  18   2.118   2.826   2.948
  158   2HB   ALA  18          2HB       ALA  18   0.690   3.208   3.909
  159   3HB   ALA  18          3HB       ALA  18   2.051   2.361   4.647
  160    H    GLU  19           H        GLU  19   2.113   6.074   2.417
  161    HA   GLU  19           HA       GLU  19   4.213   5.388   0.735
  162   1HB   GLU  19          2HB       GLU  19   2.334   6.836   0.076
  163   2HB   GLU  19          1HB       GLU  19   2.947   8.108   1.121
  164   1HG   GLU  19          2HG       GLU  19   3.509   8.569  -1.172
  165   2HG   GLU  19          1HG       GLU  19   4.973   8.244  -0.243
  166    H    PHE  20           H        PHE  20   4.088   8.090   3.055
  167    HA   PHE  20           HA       PHE  20   6.837   8.722   2.759
  168   1HB   PHE  20          2HB       PHE  20   4.838  10.179   3.615
  169   2HB   PHE  20          1HB       PHE  20   5.275   9.526   5.191
  170    HD1  PHE  20           1HD      PHE  20   6.591  11.418   2.290
  171    HD2  PHE  20           2HD      PHE  20   7.080  10.401   6.394
  172    HE1  PHE  20           1HE      PHE  20   8.355  13.121   2.498
  173    HE2  PHE  20           2HE      PHE  20   8.845  12.103   6.609
  174    HZ   PHE  20           HZ       PHE  20   9.484  13.466   4.660
  175    H    ILE  21           H        ILE  21   5.048   7.011   5.357
  176    HA   ILE  21           HA       ILE  21   7.334   6.621   6.946
  177    HB   ILE  21           HB       ILE  21   6.077   4.996   8.221
  178   1HG1  ILE  21          2HG1      ILE  21   3.630   5.288   6.584
  179   2HG1  ILE  21          1HG1      ILE  21   4.886   4.253   5.912
  180   1HG2  ILE  21          1HG2      ILE  21   3.859   6.774   7.928
  181   2HG2  ILE  21          2HG2      ILE  21   5.366   7.674   7.754
  182   3HG2  ILE  21          3HG2      ILE  21   5.078   6.709   9.202
  183   1HD1  ILE  21          1HD1      ILE  21   4.845   3.242   8.351
  184   2HD1  ILE  21          2HD1      ILE  21   3.722   2.714   7.099
  185   3HD1  ILE  21          3HD1      ILE  21   3.202   3.881   8.316
  186    H    MET  22           H        MET  22   5.714   4.263   4.789
  187    HA   MET  22           HA       MET  22   7.567   2.213   5.167
  188   1HB   MET  22          2HB       MET  22   5.434   2.781   3.256
  189   2HB   MET  22          1HB       MET  22   6.749   1.845   2.564
  190   1HG   MET  22          2HG       MET  22   6.005   0.868   5.172
  191   2HG   MET  22          1HG       MET  22   4.630   0.889   4.068
  192   1HE   MET  22          1HE       MET  22   6.091  -2.825   4.267
  193   2HE   MET  22          2HE       MET  22   5.109  -1.648   5.140
  194   3HE   MET  22          3HE       MET  22   6.852  -1.716   5.407
  195    H    LYS  23           H        LYS  23   7.484   4.690   2.589
  196    HA   LYS  23           HA       LYS  23   9.724   3.881   1.184
  197   1HB   LYS  23          2HB       LYS  23   8.057   5.839   0.751
  198   2HB   LYS  23          1HB       LYS  23   9.216   6.798   1.661
  199   1HG   LYS  23          2HG       LYS  23  10.964   6.230   0.071
  200   2HG   LYS  23          1HG       LYS  23   9.830   5.221  -0.831
  201   1HD   LYS  23          2HD       LYS  23   9.274   7.016  -2.023
  202   2HD   LYS  23          1HD       LYS  23   8.588   7.721  -0.559
  203   1HE   LYS  23          2HE       LYS  23  10.111   9.322  -1.352
  204   2HE   LYS  23          1HE       LYS  23  10.944   8.514  -0.025
  205   1HZ   LYS  23          1HZ       LYS  23  12.454   8.724  -1.830
  206   2HZ   LYS  23          2HZ       LYS  23  11.350   8.068  -2.930
  207   3HZ   LYS  23          3HZ       LYS  23  12.027   7.089  -1.729
  208    H    ASP  24           H        ASP  24   9.522   5.770   4.151
  209    HA   ASP  24           HA       ASP  24  12.297   6.422   4.245
  210   1HB   ASP  24          2HB       ASP  24  10.339   7.567   5.465
  211   2HB   ASP  24          1HB       ASP  24  10.500   6.277   6.654
  212    H    LEU  25           H        LEU  25  10.323   3.912   5.769
  213    HA   LEU  25           HA       LEU  25  12.378   2.782   7.333
  214   1HB   LEU  25          2HB       LEU  25  10.270   2.220   8.060
  215   2HB   LEU  25          1HB       LEU  25   9.669   1.932   6.440
  216    HG   LEU  25           HG       LEU  25  11.684  -0.012   7.016
  217   1HD1  LEU  25          1HD1      LEU  25  10.222  -1.142   8.844
  218   2HD1  LEU  25          2HD1      LEU  25   9.711   0.509   9.195
  219   3HD1  LEU  25          3HD1      LEU  25  11.416   0.072   9.304
  220   1HD2  LEU  25          1HD2      LEU  25   9.129   0.198   5.835
  221   2HD2  LEU  25          2HD2      LEU  25   9.038  -1.077   7.050
  222   3HD2  LEU  25          3HD2      LEU  25  10.252  -1.161   5.773
  223    H    VAL  26           H        VAL  26  11.234   2.034   4.067
  224    HA   VAL  26           HA       VAL  26  12.724  -0.344   3.767
  225    HB   VAL  26           HB       VAL  26  12.378  -0.010   1.311
  226   1HG1  VAL  26          1HG1      VAL  26   9.684   0.416   2.315
  227   2HG1  VAL  26          2HG1      VAL  26  10.601  -0.735   3.287
  228   3HG1  VAL  26          3HG1      VAL  26  10.398  -1.007   1.556
  229   1HG2  VAL  26          1HG2      VAL  26  10.527   2.235   1.873
  230   2HG2  VAL  26          2HG2      VAL  26  11.441   1.856   0.412
  231   3HG2  VAL  26          3HG2      VAL  26  12.249   2.604   1.790
  232    H    LYS  27           H        LYS  27  13.567   3.026   3.252
  233    HA   LYS  27           HA       LYS  27  15.749   2.778   1.584
  234   1HB   LYS  27          2HB       LYS  27  14.650   4.874   2.681
  235   2HB   LYS  27          1HB       LYS  27  15.859   4.635   3.935
  236   1HG   LYS  27          2HG       LYS  27  17.521   5.408   2.654
  237   2HG   LYS  27          1HG       LYS  27  16.925   4.586   1.210
  238   1HD   LYS  27          2HD       LYS  27  15.114   6.683   1.959
  239   2HD   LYS  27          1HD       LYS  27  16.753   7.324   1.831
  240   1HE   LYS  27          2HE       LYS  27  16.812   5.978  -0.395
  241   2HE   LYS  27          1HE       LYS  27  15.055   6.021  -0.258
  242   1HZ   LYS  27          1HZ       LYS  27  16.222   7.876  -1.551
  243   2HZ   LYS  27          2HZ       LYS  27  16.649   8.496  -0.036
  244   3HZ   LYS  27          3HZ       LYS  27  15.018   8.317  -0.446
  245    H    LYS  28           H        LYS  28  15.772   2.641   5.143
  246    HA   LYS  28           HA       LYS  28  18.529   2.032   5.340
  247   1HB   LYS  28          2HB       LYS  28  18.050   1.540   7.698
  248   2HB   LYS  28          1HB       LYS  28  17.350   3.066   7.179
  249   1HG   LYS  28          2HG       LYS  28  15.490   2.331   8.161
  250   2HG   LYS  28          1HG       LYS  28  15.300   1.321   6.726
  251   1HD   LYS  28          2HD       LYS  28  16.168  -0.568   7.802
  252   2HD   LYS  28          1HD       LYS  28  16.897   0.391   9.092
  253   1HE   LYS  28          2HE       LYS  28  14.706   0.920   9.978
  254   2HE   LYS  28          1HE       LYS  28  13.932   0.071   8.641
  255   1HZ   LYS  28          1HZ       LYS  28  15.195  -1.950   9.465
  256   2HZ   LYS  28          2HZ       LYS  28  13.900  -1.424  10.417
  257   3HZ   LYS  28          3HZ       LYS  28  15.488  -1.071  10.881
  258    H    ALA  29           H        ALA  29  15.705  -0.030   4.962
  259    HA   ALA  29           HA       ALA  29  17.497  -2.359   5.232
  260   1HB   ALA  29          1HB       ALA  29  16.123  -3.294   6.685
  261   2HB   ALA  29          2HB       ALA  29  14.737  -3.058   5.619
  262   3HB   ALA  29          3HB       ALA  29  15.226  -1.775   6.726
  263    H    ASN  30           H        ASN  30  16.780  -0.881   2.726
  264    HA   ASN  30           HA       ASN  30  16.214  -3.224   1.161
  265   1HB   ASN  30          2HB       ASN  30  14.058  -1.411   1.807
  266   2HB   ASN  30          1HB       ASN  30  14.344  -1.440   0.069
  267   1HD2  ASN  30          1HD2      ASN  30  12.194  -2.389   0.036
  268   2HD2  ASN  30          2HD2      ASN  30  12.027  -4.092   0.268
  269    H    LEU  31           H        LEU  31  16.205   0.341   0.957
  270    HA   LEU  31           HA       LEU  31  17.167   0.467  -1.685
  271   1HB   LEU  31          2HB       LEU  31  16.129   2.321  -0.211
  272   2HB   LEU  31          1HB       LEU  31  17.760   2.563   0.385
  273    HG   LEU  31           HG       LEU  31  17.950   2.557  -2.427
  274   1HD1  LEU  31          1HD1      LEU  31  15.759   3.029  -2.913
  275   2HD1  LEU  31          2HD1      LEU  31  16.412   4.655  -2.710
  276   3HD1  LEU  31          3HD1      LEU  31  15.496   3.902  -1.404
  277   1HD2  LEU  31          1HD2      LEU  31  18.959   4.611  -2.106
  278   2HD2  LEU  31          2HD2      LEU  31  19.151   3.858  -0.524
  279   3HD2  LEU  31          3HD2      LEU  31  17.879   5.053  -0.784
  280    H    GLU  32           H        GLU  32  18.708  -0.238   1.285
  281    HA   GLU  32           HA       GLU  32  21.361   0.511   0.578
  282   1HB   GLU  32          2HB       GLU  32  20.452  -1.566   2.580
  283   2HB   GLU  32          1HB       GLU  32  22.038  -0.810   2.512
  284   1HG   GLU  32          2HG       GLU  32  19.594   0.873   2.840
  285   2HG   GLU  32          1HG       GLU  32  20.278   0.020   4.224
  286    H    LYS  33           H        LYS  33  19.425  -2.399   0.240
  287    HA   LYS  33           HA       LYS  33  21.660  -3.821  -1.006
  288   1HB   LYS  33          2HB       LYS  33  19.160  -4.600   0.336
  289   2HB   LYS  33          1HB       LYS  33  19.525  -5.537  -1.106
  290   1HG   LYS  33          2HG       LYS  33  21.137  -6.673  -0.083
  291   2HG   LYS  33          1HG       LYS  33  21.840  -5.212   0.612
  292   1HD   LYS  33          2HD       LYS  33  20.528  -5.331   2.517
  293   2HD   LYS  33          1HD       LYS  33  19.297  -6.318   1.728
  294   1HE   LYS  33          2HE       LYS  33  20.902  -7.409   3.453
  295   2HE   LYS  33          1HE       LYS  33  20.518  -8.264   1.961
  296   1HZ   LYS  33          1HZ       LYS  33  22.966  -8.056   2.741
  297   2HZ   LYS  33          2HZ       LYS  33  22.876  -6.513   2.052
  298   3HZ   LYS  33          3HZ       LYS  33  22.594  -7.882   1.099
  299    H    GLU  34           H        GLU  34  19.900  -1.542  -2.104
  300    HA   GLU  34           HA       GLU  34  19.119  -0.873  -4.123
  301   1HB   GLU  34          2HB       GLU  34  20.901  -3.122  -4.755
  302   2HB   GLU  34          1HB       GLU  34  19.704  -2.778  -5.995
  303   1HG   GLU  34          2HG       GLU  34  20.498  -0.583  -6.297
  304   2HG   GLU  34          1HG       GLU  34  21.460  -0.649  -4.821
  305    H    PHE  35           H        PHE  35  17.081  -1.523  -2.853
  306    HA   PHE  35           HA       PHE  35  15.596  -3.586  -4.342
  307   1HB   PHE  35          2HB       PHE  35  15.460  -2.606  -1.523
  308   2HB   PHE  35          1HB       PHE  35  13.978  -3.186  -2.276
  309    HD1  PHE  35           1HD      PHE  35  17.516  -4.372  -2.452
  310    HD2  PHE  35           2HD      PHE  35  13.480  -5.260  -1.432
  311    HE1  PHE  35           1HE      PHE  35  18.162  -6.687  -1.927
  312    HE2  PHE  35           2HE      PHE  35  14.120  -7.577  -0.904
  313    HZ   PHE  35           HZ       PHE  35  16.462  -8.292  -1.152
  314    H    PHE  36           H        PHE  36  13.898  -2.990  -5.566
  315    HA   PHE  36           HA       PHE  36  13.157  -0.150  -5.537
  316   1HB   PHE  36          2HB       PHE  36  13.629  -2.063  -7.639
  317   2HB   PHE  36          1HB       PHE  36  12.009  -1.387  -7.786
  318    HD1  PHE  36           1HD      PHE  36  11.682   0.745  -8.670
  319    HD2  PHE  36           2HD      PHE  36  15.584  -0.457  -7.470
  320    HE1  PHE  36           1HE      PHE  36  12.622   2.772  -9.703
  321    HE2  PHE  36           2HE      PHE  36  16.530   1.567  -8.499
  322    HZ   PHE  36           HZ       PHE  36  15.048   3.185  -9.617
  323    H    ILE  37           H        ILE  37  11.194   0.504  -4.985
  324    HA   ILE  37           HA       ILE  37   8.997  -1.443  -4.883
  325    HB   ILE  37           HB       ILE  37   8.341   0.084  -2.768
  326   1HG1  ILE  37          2HG1      ILE  37  10.784  -0.161  -1.532
  327   2HG1  ILE  37          1HG1      ILE  37  11.237   0.396  -3.140
  328   1HG2  ILE  37          1HG2      ILE  37   8.254  -2.286  -2.697
  329   2HG2  ILE  37          2HG2      ILE  37   9.273  -1.772  -1.353
  330   3HG2  ILE  37          3HG2      ILE  37  10.008  -2.420  -2.820
  331   1HD1  ILE  37          1HD1      ILE  37  10.680   2.062  -1.169
  332   2HD1  ILE  37          2HD1      ILE  37   9.038   1.821  -1.763
  333   3HD1  ILE  37          3HD1      ILE  37  10.286   2.433  -2.848
  334    H    ASN  38           H        ASN  38   7.379  -0.721  -6.092
  335    HA   ASN  38           HA       ASN  38   7.148   2.164  -6.577
  336   1HB   ASN  38          2HB       ASN  38   5.720  -0.018  -8.092
  337   2HB   ASN  38          1HB       ASN  38   6.013   1.644  -8.597
  338   1HD2  ASN  38          1HD2      ASN  38   7.222  -1.544  -8.482
  339   2HD2  ASN  38          2HD2      ASN  38   8.721  -1.251  -9.289
  340    H    SER  39           H        SER  39   4.795   2.837  -7.081
  341    HA   SER  39           HA       SER  39   2.698   1.566  -5.617
  342   1HB   SER  39          2HB       SER  39   2.345   3.306  -3.936
  343   2HB   SER  39          1HB       SER  39   3.950   2.603  -3.744
  344    HG   SER  39           HG       SER  39   3.216   5.159  -4.428
  345    H    ALA  40           H        ALA  40   0.819   2.092  -6.570
  346    HA   ALA  40           HA       ALA  40   0.362   4.726  -7.663
  347   1HB   ALA  40          1HB       ALA  40   1.591   3.006  -9.353
  348   2HB   ALA  40          2HB       ALA  40   0.521   4.311  -9.868
  349   3HB   ALA  40          3HB       ALA  40  -0.103   2.668  -9.709
  350    H    GLY  41           H        GLY  41  -1.835   4.684  -8.915
  351   1HA   GLY  41          2HA       GLY  41  -3.718   3.245  -7.180
  352   2HA   GLY  41          1HA       GLY  41  -4.087   4.677  -8.130
  353    H    THR  42           H        THR  42  -5.838   2.650  -8.259
  354    HA   THR  42           HA       THR  42  -5.403   0.635 -10.133
  355    HB   THR  42           HB       THR  42  -8.083   1.959  -9.876
  356    HG1  THR  42           1HG      THR  42  -8.114   0.298  -7.982
  357   1HG2  THR  42          1HG2      THR  42  -8.084   0.110 -11.355
  358   2HG2  THR  42          2HG2      THR  42  -8.766  -0.485  -9.841
  359   3HG2  THR  42          3HG2      THR  42  -7.095  -0.859 -10.262
  360    H    SER  43           H        SER  43  -6.752   3.897 -10.639
  361    HA   SER  43           HA       SER  43  -6.251   3.529 -13.522
  362   1HB   SER  43          2HB       SER  43  -8.720   3.858 -12.409
  363   2HB   SER  43          1HB       SER  43  -8.285   5.528 -12.774
  364    HG   SER  43           HG       SER  43  -7.659   3.885 -14.828
  365    H    GLY  44           H        GLY  44  -5.089   5.030 -10.907
  366   1HA   GLY  44          2HA       GLY  44  -3.771   6.872 -10.559
  367   2HA   GLY  44          1HA       GLY  44  -3.487   6.838 -12.291
  368    H    GLU  45           H        GLU  45  -6.712   7.277 -11.030
  369    HA   GLU  45           HA       GLU  45  -7.177   9.623 -12.483
  370   1HB   GLU  45          2HB       GLU  45  -8.639   8.905  -9.945
  371   2HB   GLU  45          1HB       GLU  45  -9.257   9.777 -11.342
  372   1HG   GLU  45          2HG       GLU  45  -8.341   7.191 -12.153
  373   2HG   GLU  45          1HG       GLU  45  -9.448   7.035 -10.789
  374    H    HIS  46           H        HIS  46  -7.295   9.529  -8.938
  375    HA   HIS  46           HA       HIS  46  -5.853  12.099  -8.908
  376   1HB   HIS  46          2HB       HIS  46  -7.046  12.207  -6.541
  377   2HB   HIS  46          1HB       HIS  46  -7.874  12.724  -8.006
  378    HD1  HIS  46           1HD      HIS  46 -10.069  11.656  -8.454
  379    HD2  HIS  46           2HD      HIS  46  -7.780   9.458  -5.772
  380    HE1  HIS  46           1HE      HIS  46 -11.563   9.793  -7.666
  381    HE2  HIS  46           2HE      HIS  46 -10.125   8.422  -6.118
  382    H    ASP  47           H        ASP  47  -5.867   8.847  -7.955
  383    HA   ASP  47           HA       ASP  47  -4.580   8.655  -5.573
  384   1HB   ASP  47          2HB       ASP  47  -3.422   6.977  -7.738
  385   2HB   ASP  47          1HB       ASP  47  -4.048   6.504  -6.158
  386    H    GLY  48           H        GLY  48  -3.103  10.134  -4.953
  387   1HA   GLY  48          2HA       GLY  48  -0.487   9.994  -5.163
  388   2HA   GLY  48          1HA       GLY  48  -0.844  10.741  -6.714
  389    H    GLU  49           H        GLU  49  -3.175  12.145  -5.385
  390    HA   GLU  49           HA       GLU  49  -1.918  14.600  -4.888
  391   1HB   GLU  49          2HB       GLU  49  -4.180  14.632  -5.592
  392   2HB   GLU  49          1HB       GLU  49  -4.682  13.555  -4.299
  393   1HG   GLU  49          2HG       GLU  49  -5.475  15.649  -3.673
  394   2HG   GLU  49          1HG       GLU  49  -4.019  15.421  -2.704
  395    H    GLY  50           H        GLY  50  -2.943  12.015  -2.734
  396   1HA   GLY  50          2HA       GLY  50  -2.506  11.611  -0.521
  397   2HA   GLY  50          1HA       GLY  50  -1.121  12.677  -0.709
  398    H    MET  51           H        MET  51  -4.632  12.685  -0.160
  399    HA   MET  51           HA       MET  51  -4.449  14.484   2.015
  400   1HB   MET  51          2HB       MET  51  -4.014  16.125   0.256
  401   2HB   MET  51          1HB       MET  51  -5.490  15.650  -0.572
  402   1HG   MET  51          2HG       MET  51  -6.639  16.301   1.665
  403   2HG   MET  51          1HG       MET  51  -5.151  17.202   1.951
  404   1HE   MET  51          1HE       MET  51  -4.453  19.200  -0.647
  405   2HE   MET  51          2HE       MET  51  -4.431  19.042   1.108
  406   3HE   MET  51          3HE       MET  51  -5.420  20.288   0.348
  407    H    HIS  52           H        HIS  52  -5.893  13.368   3.195
  408    HA   HIS  52           HA       HIS  52  -8.671  13.532   2.521
  409   1HB   HIS  52          2HB       HIS  52  -7.267  11.181   1.728
  410   2HB   HIS  52          1HB       HIS  52  -8.343  10.756   3.054
  411    HD1  HIS  52           1HD      HIS  52  -9.849  13.470   1.265
  412    HD2  HIS  52           2HD      HIS  52  -9.572   9.362   0.708
  413    HE1  HIS  52           1HE      HIS  52 -11.689  12.885  -0.345
  414    HE2  HIS  52           2HE      HIS  52 -11.547  10.384  -0.613
  415    H    TYR  53           H        TYR  53 -10.052  12.944   4.255
  416    HA   TYR  53           HA       TYR  53  -9.217  13.652   6.774
  417   1HB   TYR  53          2HB       TYR  53 -11.478  11.714   6.376
  418   2HB   TYR  53          1HB       TYR  53 -11.335  13.014   7.554
  419    HD1  TYR  53           1HD      TYR  53 -13.088  12.074   4.778
  420    HD2  TYR  53           2HD      TYR  53 -10.890  15.408   6.244
  421    HE1  TYR  53           1HE      TYR  53 -14.355  13.557   3.279
  422    HE2  TYR  53           2HE      TYR  53 -12.151  16.903   4.751
  423    HH   TYR  53           HH       TYR  53 -14.906  15.780   2.924
  424    H    GLY  54           H        GLY  54  -9.440  12.239   8.774
  425   1HA   GLY  54          2HA       GLY  54  -8.776  10.440  10.040
  426   2HA   GLY  54          1HA       GLY  54  -8.785   9.474   8.576
  427    H    THR  55           H        THR  55  -6.888   9.656   7.150
  428    HA   THR  55           HA       THR  55  -4.519   9.241   8.565
  429    HB   THR  55           HB       THR  55  -3.711   9.959   5.992
  430    HG1  THR  55           1HG      THR  55  -5.601  10.002   4.981
  431   1HG2  THR  55          1HG2      THR  55  -3.092   7.764   5.854
  432   2HG2  THR  55          2HG2      THR  55  -4.619   7.176   6.513
  433   3HG2  THR  55          3HG2      THR  55  -3.397   7.855   7.589
  434    H    LYS  56           H        LYS  56  -5.494  12.047   6.584
  435    HA   LYS  56           HA       LYS  56  -3.200  13.589   7.018
  436   1HB   LYS  56          2HB       LYS  56  -5.714  13.936   5.762
  437   2HB   LYS  56          1HB       LYS  56  -5.513  15.287   6.869
  438   1HG   LYS  56          2HG       LYS  56  -3.105  15.340   5.742
  439   2HG   LYS  56          1HG       LYS  56  -4.003  14.593   4.420
  440   1HD   LYS  56          2HD       LYS  56  -4.302  16.798   3.893
  441   2HD   LYS  56          1HD       LYS  56  -5.702  16.549   4.939
  442   1HE   LYS  56          2HE       LYS  56  -3.306  17.278   6.419
  443   2HE   LYS  56          1HE       LYS  56  -3.767  18.497   5.231
  444   1HZ   LYS  56          1HZ       LYS  56  -5.943  18.624   6.197
  445   2HZ   LYS  56          2HZ       LYS  56  -4.798  18.835   7.424
  446   3HZ   LYS  56          3HZ       LYS  56  -5.604  17.356   7.266
  447    H    ASN  57           H        ASN  57  -6.277  13.543   8.774
  448    HA   ASN  57           HA       ASN  57  -5.766  15.518  10.644
  449   1HB   ASN  57          2HB       ASN  57  -7.960  14.721  10.635
  450   2HB   ASN  57          1HB       ASN  57  -7.452  13.035  10.672
  451   1HD2  ASN  57          1HD2      ASN  57  -7.445  12.018  12.560
  452   2HD2  ASN  57          2HD2      ASN  57  -7.618  12.772  14.105
  453    H    LYS  58           H        LYS  58  -4.917  12.090  10.708
  454    HA   LYS  58           HA       LYS  58  -3.828  12.081  13.319
  455   1HB   LYS  58          2HB       LYS  58  -4.307   9.950  12.621
  456   2HB   LYS  58          1HB       LYS  58  -3.785  10.255  10.971
  457   1HG   LYS  58          2HG       LYS  58  -1.504   9.991  11.544
  458   2HG   LYS  58          1HG       LYS  58  -1.866  10.028  13.271
  459   1HD   LYS  58          2HD       LYS  58  -1.394   7.749  12.378
  460   2HD   LYS  58          1HD       LYS  58  -2.973   7.907  13.151
  461   1HE   LYS  58          2HE       LYS  58  -2.901   6.633  10.955
  462   2HE   LYS  58          1HE       LYS  58  -4.098   7.922  11.083
  463   1HZ   LYS  58          1HZ       LYS  58  -2.882   9.295   9.687
  464   2HZ   LYS  58          2HZ       LYS  58  -2.691   7.775   8.969
  465   3HZ   LYS  58          3HZ       LYS  58  -1.441   8.433   9.900
  466    H    LEU  59           H        LEU  59  -2.379  12.506  10.107
  467    HA   LEU  59           HA       LEU  59   0.298  12.540  10.867
  468   1HB   LEU  59          2HB       LEU  59  -1.005  14.164   8.677
  469   2HB   LEU  59          1HB       LEU  59   0.711  13.828   8.819
  470    HG   LEU  59           HG       LEU  59  -1.360  11.663   8.488
  471   1HD1  LEU  59          1HD1      LEU  59   0.385  12.733   6.297
  472   2HD1  LEU  59          2HD1      LEU  59  -1.242  13.348   6.583
  473   3HD1  LEU  59          3HD1      LEU  59  -0.999  11.649   6.176
  474   1HD2  LEU  59          1HD2      LEU  59   1.613  11.774   8.572
  475   2HD2  LEU  59          2HD2      LEU  59   0.835  10.582   7.530
  476   3HD2  LEU  59          3HD2      LEU  59   0.506  10.589   9.263
  477    H    ALA  60           H        ALA  60  -1.935  15.297  10.511
  478    HA   ALA  60           HA       ALA  60  -0.153  17.259  11.447
  479   1HB   ALA  60          1HB       ALA  60  -2.471  17.482  10.278
  480   2HB   ALA  60          2HB       ALA  60  -1.950  18.714  11.427
  481   3HB   ALA  60          3HB       ALA  60  -3.097  17.471  11.927
  482    H    GLN  61           H        GLN  61  -2.219  14.970  13.062
  483    HA   GLN  61           HA       GLN  61  -2.233  16.133  15.626
  484   1HB   GLN  61          2HB       GLN  61  -3.749  14.303  14.745
  485   2HB   GLN  61          1HB       GLN  61  -2.421  13.187  15.031
  486   1HG   GLN  61          2HG       GLN  61  -2.440  13.775  17.404
  487   2HG   GLN  61          1HG       GLN  61  -3.784  14.879  17.113
  488   1HE2  GLN  61          1HE2      GLN  61  -3.127  11.615  15.910
  489   2HE2  GLN  61          2HE2      GLN  61  -4.579  10.907  16.521
  490    H    LEU  62           H        LEU  62   0.064  13.976  14.040
  491    HA   LEU  62           HA       LEU  62   1.991  14.544  16.128
  492   1HB   LEU  62          2HB       LEU  62   2.445  11.956  16.203
  493   2HB   LEU  62          1HB       LEU  62   1.258  12.703  17.256
  494    HG   LEU  62           HG       LEU  62   0.002  11.928  14.789
  495   1HD1  LEU  62          1HD1      LEU  62   1.954  10.302  14.840
  496   2HD1  LEU  62          2HD1      LEU  62   0.336   9.607  14.740
  497   3HD1  LEU  62          3HD1      LEU  62   1.200   9.614  16.278
  498   1HD2  LEU  62          1HD2      LEU  62  -1.588  10.982  16.211
  499   2HD2  LEU  62          2HD2      LEU  62  -0.934  12.329  17.143
  500   3HD2  LEU  62          3HD2      LEU  62  -0.407  10.681  17.485
  501    H    ASN  63           H        ASN  63   1.329  12.563  13.245
  502    HA   ASN  63           HA       ASN  63   4.069  12.318  12.514
  503   1HB   ASN  63          2HB       ASN  63   1.621  11.984  10.762
  504   2HB   ASN  63          1HB       ASN  63   3.244  11.383  10.414
  505   1HD2  ASN  63          1HD2      ASN  63   0.270  10.622  11.677
  506   2HD2  ASN  63          2HD2      ASN  63   0.698   9.188  12.540
  507    H    ILE  64           H        ILE  64   3.686  12.925   9.660
  508    HA   ILE  64           HA       ILE  64   4.014  15.847   9.825
  509    HB   ILE  64           HB       ILE  64   5.171  13.931   7.800
  510   1HG1  ILE  64          2HG1      ILE  64   6.181  13.766  10.067
  511   2HG1  ILE  64          1HG1      ILE  64   7.315  14.353   8.856
  512   1HG2  ILE  64          1HG2      ILE  64   4.826  16.794   7.774
  513   2HG2  ILE  64          2HG2      ILE  64   5.404  15.719   6.500
  514   3HG2  ILE  64          3HG2      ILE  64   6.534  16.359   7.694
  515   1HD1  ILE  64          1HD1      ILE  64   6.101  16.627   9.966
  516   2HD1  ILE  64          2HD1      ILE  64   7.759  16.064  10.180
  517   3HD1  ILE  64          3HD1      ILE  64   6.504  15.561  11.311
  518    H    GLU  65           H        GLU  65   2.643  17.102   8.746
  519    HA   GLU  65           HA       GLU  65   0.409  16.057   7.374
  520   1HB   GLU  65          2HB       GLU  65   1.416  18.685   8.145
  521   2HB   GLU  65          1HB       GLU  65   0.568  18.709   6.605
  522   1HG   GLU  65          2HG       GLU  65  -1.429  17.947   7.567
  523   2HG   GLU  65          1HG       GLU  65  -0.618  17.439   9.048
  524    H    HIS  66           H        HIS  66   3.377  15.819   6.284
  525    HA   HIS  66           HA       HIS  66   2.669  16.492   3.510
  526   1HB   HIS  66          2HB       HIS  66   5.334  16.522   4.910
  527   2HB   HIS  66          1HB       HIS  66   5.202  16.497   3.154
  528    HD1  HIS  66           1HD      HIS  66   6.564  18.882   4.311
  529    HD2  HIS  66           2HD      HIS  66   2.442  18.721   3.803
  530    HE1  HIS  66           1HE      HIS  66   5.802  21.277   4.225
  531    HE2  HIS  66           2HE      HIS  66   3.298  21.155   3.984
  532    H    LYS  67           H        LYS  67   3.411  15.108   1.842
  533    HA   LYS  67           HA       LYS  67   4.473  12.510   2.469
  534   1HB   LYS  67          2HB       LYS  67   2.406  11.457   1.233
  535   2HB   LYS  67          1HB       LYS  67   2.347  11.763   2.963
  536   1HG   LYS  67          2HG       LYS  67   1.441  13.998   1.298
  537   2HG   LYS  67          1HG       LYS  67   0.456  12.539   1.181
  538   1HD   LYS  67          2HD       LYS  67   0.902  12.773   3.887
  539   2HD   LYS  67          1HD       LYS  67   0.724  14.451   3.369
  540   1HE   LYS  67          2HE       LYS  67  -1.474  14.062   3.582
  541   2HE   LYS  67          1HE       LYS  67  -1.314  13.247   2.026
  542   1HZ   LYS  67          1HZ       LYS  67  -0.603  11.397   3.955
  543   2HZ   LYS  67          2HZ       LYS  67  -2.011  11.412   3.020
  544   3HZ   LYS  67          3HZ       LYS  67  -1.998  12.153   4.541
  545    H    ASN  68           H        ASN  68   4.639  11.160   0.426
  546    HA   ASN  68           HA       ASN  68   5.866  12.680  -1.595
  547   1HB   ASN  68          2HB       ASN  68   6.063  10.122  -0.934
  548   2HB   ASN  68          1HB       ASN  68   4.854   9.937  -2.202
  549   1HD2  ASN  68          1HD2      ASN  68   7.488  12.269  -2.035
  550   2HD2  ASN  68          2HD2      ASN  68   8.321  11.703  -3.438
  551    H    PHE  69           H        PHE  69   4.599  14.178  -2.587
  552    HA   PHE  69           HA       PHE  69   1.971  13.499  -3.578
  553   1HB   PHE  69          2HB       PHE  69   3.558  16.013  -4.122
  554   2HB   PHE  69          1HB       PHE  69   1.820  15.794  -4.279
  555    HD1  PHE  69           1HD      PHE  69   4.284  17.176  -2.297
  556    HD2  PHE  69           2HD      PHE  69   0.694  14.912  -1.992
  557    HE1  PHE  69           1HE      PHE  69   3.985  17.968   0.013
  558    HE2  PHE  69           2HE      PHE  69   0.388  15.700   0.318
  559    HZ   PHE  69           HZ       PHE  69   2.035  17.232   1.323
  560    H    THR  70           H        THR  70   2.224  11.936  -5.143
  561    HA   THR  70           HA       THR  70   3.236  12.892  -7.699
  562    HB   THR  70           HB       THR  70   5.227  11.842  -7.095
  563    HG1  THR  70           1HG      THR  70   3.739   9.721  -8.282
  564   1HG2  THR  70          1HG2      THR  70   3.739  10.567  -5.164
  565   2HG2  THR  70          2HG2      THR  70   5.451  10.297  -5.485
  566   3HG2  THR  70          3HG2      THR  70   4.241   9.240  -6.212
  567    H    SER  71           H        SER  71   1.333  12.754  -8.744
  568    HA   SER  71           HA       SER  71  -0.626  10.777  -8.339
  569   1HB   SER  71          2HB       SER  71  -1.595  12.534  -9.423
  570   2HB   SER  71          1HB       SER  71  -0.130  12.921 -10.323
  571    HG   SER  71           HG       SER  71  -1.583  10.586 -10.911
  572    H    LYS  72           H        LYS  72  -0.081   8.686  -8.535
  573    HA   LYS  72           HA       LYS  72   1.404   7.839 -10.922
  574   1HB   LYS  72          2HB       LYS  72   1.140   6.773  -8.157
  575   2HB   LYS  72          1HB       LYS  72   1.390   5.616  -9.456
  576   1HG   LYS  72          2HG       LYS  72   3.198   7.919  -9.517
  577   2HG   LYS  72          1HG       LYS  72   3.369   6.877  -8.103
  578   1HD   LYS  72          2HD       LYS  72   4.400   5.311  -9.305
  579   2HD   LYS  72          1HD       LYS  72   3.101   5.301 -10.500
  580   1HE   LYS  72          2HE       LYS  72   4.338   6.443 -11.955
  581   2HE   LYS  72          1HE       LYS  72   4.704   7.680 -10.755
  582   1HZ   LYS  72          1HZ       LYS  72   6.316   5.792  -9.907
  583   2HZ   LYS  72          2HZ       LYS  72   6.779   6.882 -11.115
  584   3HZ   LYS  72          3HZ       LYS  72   6.252   5.331 -11.533
  585    H    LYS  73           H        LYS  73   0.710   6.038 -12.145
  586    HA   LYS  73           HA       LYS  73  -2.077   5.201 -11.740
  587   1HB   LYS  73          2HB       LYS  73  -2.223   6.926 -13.403
  588   2HB   LYS  73          1HB       LYS  73  -0.871   6.254 -14.303
  589   1HG   LYS  73          2HG       LYS  73  -2.418   4.153 -14.475
  590   2HG   LYS  73          1HG       LYS  73  -3.696   5.325 -14.148
  591   1HD   LYS  73          2HD       LYS  73  -1.680   5.993 -16.228
  592   2HD   LYS  73          1HD       LYS  73  -2.896   4.774 -16.615
  593   1HE   LYS  73          2HE       LYS  73  -4.074   7.080 -15.326
  594   2HE   LYS  73          1HE       LYS  73  -3.181   7.539 -16.775
  595   1HZ   LYS  73          1HZ       LYS  73  -4.777   5.209 -17.193
  596   2HZ   LYS  73          2HZ       LYS  73  -4.743   6.659 -18.064
  597   3HZ   LYS  73          3HZ       LYS  73  -5.716   6.523 -16.688
  598    H    LEU  74           H        LEU  74  -1.670   3.119 -11.187
  599    HA   LEU  74           HA       LEU  74   0.363   1.482 -12.160
  600   1HB   LEU  74          2HB       LEU  74  -0.626   0.621 -10.276
  601   2HB   LEU  74          1HB       LEU  74  -2.246   1.025 -10.808
  602    HG   LEU  74           HG       LEU  74  -1.215  -0.967 -12.567
  603   1HD1  LEU  74          1HD1      LEU  74  -0.659  -1.408  -9.669
  604   2HD1  LEU  74          2HD1      LEU  74   0.307  -1.842 -11.079
  605   3HD1  LEU  74          3HD1      LEU  74  -1.143  -2.765 -10.685
  606   1HD2  LEU  74          1HD2      LEU  74  -3.485  -0.974 -12.388
  607   2HD2  LEU  74          2HD2      LEU  74  -3.463  -0.616 -10.661
  608   3HD2  LEU  74          3HD2      LEU  74  -3.108  -2.247 -11.228
  609    H    THR  75           H        THR  75   0.666   0.394 -14.002
  610    HA   THR  75           HA       THR  75  -1.628  -0.068 -15.777
  611    HB   THR  75           HB       THR  75   0.644   0.452 -17.412
  612    HG1  THR  75           1HG      THR  75   1.500   1.788 -15.841
  613   1HG2  THR  75          1HG2      THR  75  -1.168   1.036 -18.587
  614   2HG2  THR  75          2HG2      THR  75  -1.109   2.572 -17.721
  615   3HG2  THR  75          3HG2      THR  75  -2.133   1.264 -17.129
  616    H    GLN  76           H        GLN  76  -0.671  -1.407 -17.789
  617    HA   GLN  76           HA       GLN  76   0.157  -3.896 -16.679
  618   1HB   GLN  76          2HB       GLN  76  -1.093  -3.088 -19.017
  619   2HB   GLN  76          1HB       GLN  76   0.474  -3.662 -19.571
  620   1HG   GLN  76          2HG       GLN  76  -0.011  -5.739 -18.145
  621   2HG   GLN  76          1HG       GLN  76  -1.679  -5.166 -18.139
  622   1HE2  GLN  76          1HE2      GLN  76   0.939  -5.472 -20.525
  623   2HE2  GLN  76          2HE2      GLN  76  -0.024  -6.242 -21.735
  624    H    LYS  77           H        LYS  77   1.766  -1.327 -18.456
  625    HA   LYS  77           HA       LYS  77   4.168  -2.631 -19.048
  626   1HB   LYS  77          2HB       LYS  77   3.215  -0.233 -19.676
  627   2HB   LYS  77          1HB       LYS  77   4.217   0.260 -18.318
  628   1HG   LYS  77          2HG       LYS  77   5.676  -1.501 -20.063
  629   2HG   LYS  77          1HG       LYS  77   5.014  -0.133 -20.960
  630   1HD   LYS  77          2HD       LYS  77   5.991   1.016 -18.643
  631   2HD   LYS  77          1HD       LYS  77   7.187  -0.221 -19.030
  632   1HE   LYS  77          2HE       LYS  77   7.766   0.766 -21.024
  633   2HE   LYS  77          1HE       LYS  77   6.200   1.556 -21.208
  634   1HZ   LYS  77          1HZ       LYS  77   7.752   3.234 -20.697
  635   2HZ   LYS  77          2HZ       LYS  77   8.432   2.349 -19.426
  636   3HZ   LYS  77          3HZ       LYS  77   6.871   2.984 -19.274
  637    H    LEU  78           H        LEU  78   3.185  -0.802 -16.176
  638    HA   LEU  78           HA       LEU  78   5.699  -1.011 -14.863
  639   1HB   LEU  78          2HB       LEU  78   3.357   0.396 -14.449
  640   2HB   LEU  78          1HB       LEU  78   3.384  -0.732 -13.109
  641    HG   LEU  78           HG       LEU  78   4.394   1.373 -12.456
  642   1HD1  LEU  78          1HD1      LEU  78   5.873  -1.145 -12.487
  643   2HD1  LEU  78          2HD1      LEU  78   5.531  -0.043 -11.153
  644   3HD1  LEU  78          3HD1      LEU  78   6.885   0.277 -12.238
  645   1HD2  LEU  78          1HD2      LEU  78   6.457   0.895 -14.598
  646   2HD2  LEU  78          2HD2      LEU  78   6.341   2.279 -13.511
  647   3HD2  LEU  78          3HD2      LEU  78   5.112   2.026 -14.751
  648    H    CYS  79           H        CYS  79   2.681  -2.858 -14.681
  649    HA   CYS  79           HA       CYS  79   3.381  -4.529 -12.543
  650   1HB   CYS  79          2HB       CYS  79   1.095  -4.412 -13.318
  651   2HB   CYS  79          1HB       CYS  79   1.556  -5.035 -14.899
  652    HG   CYS  79           HG       CYS  79   0.177  -7.045 -13.562
  653    H    ASP  80           H        ASP  80   3.999  -4.798 -16.002
  654    HA   ASP  80           HA       ASP  80   4.997  -7.423 -16.027
  655   1HB   ASP  80          2HB       ASP  80   5.453  -5.038 -17.809
  656   2HB   ASP  80          1HB       ASP  80   6.265  -6.574 -18.104
  657    H    GLU  81           H        GLU  81   6.351  -4.474 -14.891
  658    HA   GLU  81           HA       GLU  81   9.089  -5.419 -14.962
  659   1HB   GLU  81          2HB       GLU  81   7.766  -2.904 -13.978
  660   2HB   GLU  81          1HB       GLU  81   9.457  -3.245 -13.634
  661   1HG   GLU  81          2HG       GLU  81   8.240  -3.055 -16.381
  662   2HG   GLU  81          1HG       GLU  81   9.172  -1.791 -15.581
  663    H    SER  82           H        SER  82   6.869  -4.372 -12.354
  664    HA   SER  82           HA       SER  82   8.435  -5.218 -10.223
  665   1HB   SER  82          2HB       SER  82   6.146  -5.412  -9.029
  666   2HB   SER  82          1HB       SER  82   6.634  -3.837  -9.653
  667    HG   SER  82           HG       SER  82   5.422  -4.674 -11.638
  668    H    ASP  83           H        ASP  83   8.609  -7.084  -9.050
  669    HA   ASP  83           HA       ASP  83   7.754  -9.515 -10.420
  670   1HB   ASP  83          2HB       ASP  83  10.150  -8.964  -9.455
  671   2HB   ASP  83          1HB       ASP  83   9.444  -9.556  -7.955
  672    H    PHE  84           H        PHE  84   6.908  -7.585  -7.739
  673    HA   PHE  84           HA       PHE  84   5.035  -9.662  -6.842
  674   1HB   PHE  84          2HB       PHE  84   6.931  -8.058  -5.145
  675   2HB   PHE  84          1HB       PHE  84   5.432  -8.693  -4.474
  676    HD1  PHE  84           1HD      PHE  84   5.032 -11.195  -4.609
  677    HD2  PHE  84           2HD      PHE  84   8.824  -9.406  -5.329
  678    HE1  PHE  84           1HE      PHE  84   6.126 -13.363  -4.213
  679    HE2  PHE  84           2HE      PHE  84   9.926 -11.570  -4.935
  680    HZ   PHE  84           HZ       PHE  84   8.576 -13.553  -4.377
  681    H    LEU  85           H        LEU  85   3.018  -8.943  -6.959
  682    HA   LEU  85           HA       LEU  85   2.540  -6.044  -6.921
  683   1HB   LEU  85          2HB       LEU  85   1.517  -8.207  -8.505
  684   2HB   LEU  85          1HB       LEU  85   0.191  -7.433  -7.657
  685    HG   LEU  85           HG       LEU  85   1.120  -5.225  -8.578
  686   1HD1  LEU  85          1HD1      LEU  85   2.269  -5.677 -10.840
  687   2HD1  LEU  85          2HD1      LEU  85   2.704  -7.233 -10.133
  688   3HD1  LEU  85          3HD1      LEU  85   3.240  -5.736  -9.369
  689   1HD2  LEU  85          1HD2      LEU  85  -0.313  -7.360 -10.073
  690   2HD2  LEU  85          2HD2      LEU  85   0.149  -5.892 -10.934
  691   3HD2  LEU  85          3HD2      LEU  85  -0.889  -5.790  -9.511
  692    H    ILE  86           H        ILE  86   1.058  -5.119  -5.541
  693    HA   ILE  86           HA       ILE  86  -0.212  -6.879  -3.550
  694    HB   ILE  86           HB       ILE  86   0.770  -4.211  -2.662
  695   1HG1  ILE  86          2HG1      ILE  86   2.692  -5.340  -3.850
  696   2HG1  ILE  86          1HG1      ILE  86   2.973  -4.983  -2.150
  697   1HG2  ILE  86          1HG2      ILE  86  -0.162  -5.047  -0.821
  698   2HG2  ILE  86          2HG2      ILE  86   1.249  -6.097  -0.709
  699   3HG2  ILE  86          3HG2      ILE  86  -0.221  -6.676  -1.492
  700   1HD1  ILE  86          1HD1      ILE  86   3.503  -7.098  -1.808
  701   2HD1  ILE  86          2HD1      ILE  86   3.186  -7.460  -3.505
  702   3HD1  ILE  86          3HD1      ILE  86   1.888  -7.593  -2.316
  703    H    THR  87           H        THR  87  -2.328  -6.479  -3.258
  704    HA   THR  87           HA       THR  87  -3.449  -4.055  -4.475
  705    HB   THR  87           HB       THR  87  -5.593  -5.626  -3.677
  706    HG1  THR  87           1HG      THR  87  -4.825  -7.588  -3.521
  707   1HG2  THR  87          1HG2      THR  87  -5.497  -4.449  -5.771
  708   2HG2  THR  87          2HG2      THR  87  -5.764  -6.159  -6.109
  709   3HG2  THR  87          3HG2      THR  87  -4.162  -5.457  -6.329
  710    H    MET  88           H        MET  88  -4.278  -6.082  -1.657
  711    HA   MET  88           HA       MET  88  -4.688  -5.562   0.520
  712   1HB   MET  88          2HB       MET  88  -3.220  -3.267  -0.355
  713   2HB   MET  88          1HB       MET  88  -4.555  -2.732   0.656
  714   1HG   MET  88          2HG       MET  88  -3.053  -3.079   2.292
  715   2HG   MET  88          1HG       MET  88  -3.659  -4.730   2.177
  716   1HE   MET  88          1HE       MET  88  -1.296  -6.825   0.666
  717   2HE   MET  88          2HE       MET  88  -2.694  -6.523   1.695
  718   3HE   MET  88          3HE       MET  88  -1.078  -6.588   2.400
  719    H    ASP  89           H        ASP  89  -6.031  -3.381  -1.917
  720    HA   ASP  89           HA       ASP  89  -8.395  -2.854  -0.347
  721   1HB   ASP  89          2HB       ASP  89  -7.891  -2.252  -3.267
  722   2HB   ASP  89          1HB       ASP  89  -9.147  -1.553  -2.251
  723    H    ASN  90           H        ASN  90 -10.374  -3.788  -0.553
  724    HA   ASN  90           HA       ASN  90 -10.563  -6.408  -1.505
  725   1HB   ASN  90          2HB       ASN  90 -12.083  -4.897   0.127
  726   2HB   ASN  90          1HB       ASN  90 -13.077  -4.848  -1.325
  727   1HD2  ASN  90          1HD2      ASN  90 -12.493  -6.494   1.461
  728   2HD2  ASN  90          2HD2      ASN  90 -13.189  -8.019   1.044
  729    H    SER  91           H        SER  91 -12.116  -3.488  -2.853
  730    HA   SER  91           HA       SER  91 -13.131  -4.707  -5.151
  731   1HB   SER  91          2HB       SER  91 -12.255  -1.823  -4.900
  732   2HB   SER  91          1HB       SER  91 -13.448  -2.476  -6.024
  733    HG   SER  91           HG       SER  91 -14.155  -1.437  -3.923
  734    H    ASN  92           H        ASN  92  -9.990  -3.227  -4.539
  735    HA   ASN  92           HA       ASN  92  -9.037  -3.168  -7.171
  736   1HB   ASN  92          2HB       ASN  92  -8.012  -2.619  -4.603
  737   2HB   ASN  92          1HB       ASN  92  -6.907  -3.778  -5.336
  738   1HD2  ASN  92          1HD2      ASN  92  -7.067  -0.714  -4.777
  739   2HD2  ASN  92          2HD2      ASN  92  -6.420  -0.039  -6.229
  740    H    PHE  93           H        PHE  93  -9.371  -5.795  -4.921
  741    HA   PHE  93           HA       PHE  93  -7.543  -7.594  -6.103
  742   1HB   PHE  93          2HB       PHE  93  -8.307  -8.079  -3.897
  743   2HB   PHE  93          1HB       PHE  93  -9.995  -8.020  -4.393
  744    HD1  PHE  93           1HD      PHE  93  -6.946  -9.842  -5.560
  745    HD2  PHE  93           2HD      PHE  93 -11.015 -10.065  -4.330
  746    HE1  PHE  93           1HE      PHE  93  -6.920 -12.275  -5.928
  747    HE2  PHE  93           2HE      PHE  93 -10.996 -12.498  -4.695
  748    HZ   PHE  93           HZ       PHE  93  -8.946 -13.605  -5.495
  749    H    LYS  94           H        LYS  94 -11.104  -7.557  -6.310
  750    HA   LYS  94           HA       LYS  94 -11.268  -9.430  -8.401
  751   1HB   LYS  94          2HB       LYS  94 -13.591  -8.275  -8.725
  752   2HB   LYS  94          1HB       LYS  94 -13.263  -9.194  -7.263
  753   1HG   LYS  94          2HG       LYS  94 -12.871  -7.191  -6.012
  754   2HG   LYS  94          1HG       LYS  94 -12.964  -6.206  -7.474
  755   1HD   LYS  94          2HD       LYS  94 -15.343  -7.332  -7.664
  756   2HD   LYS  94          1HD       LYS  94 -15.138  -7.523  -5.921
  757   1HE   LYS  94          2HE       LYS  94 -14.974  -5.201  -5.581
  758   2HE   LYS  94          1HE       LYS  94 -14.709  -4.887  -7.296
  759   1HZ   LYS  94          1HZ       LYS  94 -17.178  -5.217  -5.846
  760   2HZ   LYS  94          2HZ       LYS  94 -17.117  -6.099  -7.289
  761   3HZ   LYS  94          3HZ       LYS  94 -16.881  -4.425  -7.311
  762    H    ASN  95           H        ASN  95 -10.916  -5.938  -8.402
  763    HA   ASN  95           HA       ASN  95 -11.520  -5.515 -11.133
  764   1HB   ASN  95          2HB       ASN  95 -10.320  -3.954  -8.934
  765   2HB   ASN  95          1HB       ASN  95  -9.806  -3.480 -10.549
  766   1HD2  ASN  95          1HD2      ASN  95 -12.793  -4.394  -8.863
  767   2HD2  ASN  95          2HD2      ASN  95 -13.766  -3.146  -9.556
  768    H    VAL  96           H        VAL  96  -8.396  -5.741  -9.441
  769    HA   VAL  96           HA       VAL  96  -6.739  -5.592 -11.673
  770    HB   VAL  96           HB       VAL  96  -6.395  -6.814  -8.952
  771   1HG1  VAL  96          1HG1      VAL  96  -4.329  -6.851 -11.149
  772   2HG1  VAL  96          2HG1      VAL  96  -5.114  -8.259 -10.434
  773   3HG1  VAL  96          3HG1      VAL  96  -4.038  -7.259  -9.458
  774   1HG2  VAL  96          1HG2      VAL  96  -5.726  -4.307 -10.306
  775   2HG2  VAL  96          2HG2      VAL  96  -4.418  -4.981  -9.335
  776   3HG2  VAL  96          3HG2      VAL  96  -5.981  -4.641  -8.593
  777    H    LEU  97           H        LEU  97  -8.580  -8.256 -10.383
  778    HA   LEU  97           HA       LEU  97  -7.348 -10.461 -11.454
  779   1HB   LEU  97          2HB       LEU  97  -9.960  -9.805 -10.477
  780   2HB   LEU  97          1HB       LEU  97 -10.114 -10.828 -11.892
  781    HG   LEU  97           HG       LEU  97  -8.666 -12.511 -10.835
  782   1HD1  LEU  97          1HD1      LEU  97  -7.380 -12.045  -9.091
  783   2HD1  LEU  97          2HD1      LEU  97  -8.785 -11.568  -8.137
  784   3HD1  LEU  97          3HD1      LEU  97  -7.960 -10.380  -9.146
  785   1HD2  LEU  97          1HD2      LEU  97 -11.217 -12.327 -10.503
  786   2HD2  LEU  97          2HD2      LEU  97 -10.810 -11.828  -8.860
  787   3HD2  LEU  97          3HD2      LEU  97 -10.301 -13.410  -9.455
  788    H    LYS  98           H        LYS  98  -9.672  -8.326 -13.103
  789    HA   LYS  98           HA       LYS  98  -9.021  -9.673 -15.630
  790   1HB   LYS  98          2HB       LYS  98 -11.200  -7.639 -15.361
  791   2HB   LYS  98          1HB       LYS  98 -11.070  -8.986 -16.481
  792   1HG   LYS  98          2HG       LYS  98 -12.128 -10.375 -15.100
  793   2HG   LYS  98          1HG       LYS  98 -11.195  -9.836 -13.702
  794   1HD   LYS  98          2HD       LYS  98 -12.880  -8.562 -12.995
  795   2HD   LYS  98          1HD       LYS  98 -13.005  -7.771 -14.567
  796   1HE   LYS  98          2HE       LYS  98 -15.027  -8.744 -14.639
  797   2HE   LYS  98          1HE       LYS  98 -14.119 -10.179 -15.113
  798   1HZ   LYS  98          1HZ       LYS  98 -14.938 -11.176 -13.330
  799   2HZ   LYS  98          2HZ       LYS  98 -15.671  -9.750 -12.792
  800   3HZ   LYS  98          3HZ       LYS  98 -14.077 -10.101 -12.347
  801    H    ASN  99           H        ASN  99  -8.327  -6.872 -13.881
  802    HA   ASN  99           HA       ASN  99  -7.995  -5.096 -16.114
  803   1HB   ASN  99          2HB       ASN  99  -7.878  -4.906 -13.234
  804   2HB   ASN  99          1HB       ASN  99  -6.490  -4.105 -13.964
  805   1HD2  ASN  99          1HD2      ASN  99  -6.891  -2.450 -15.536
  806   2HD2  ASN  99          2HD2      ASN  99  -8.356  -1.537 -15.473
  807    H    PHE 100           H        PHE 100  -6.230  -7.703 -15.021
  808    HA   PHE 100           HA       PHE 100  -3.835  -6.705 -16.404
  809   1HB   PHE 100          2HB       PHE 100  -4.027  -7.908 -13.681
  810   2HB   PHE 100          1HB       PHE 100  -2.625  -8.309 -14.666
  811    HD1  PHE 100           1HD      PHE 100  -2.154  -5.753 -16.067
  812    HD2  PHE 100           2HD      PHE 100  -3.198  -6.536 -12.017
  813    HE1  PHE 100           1HE      PHE 100  -1.083  -3.644 -15.385
  814    HE2  PHE 100           2HE      PHE 100  -2.130  -4.431 -11.329
  815    HZ   PHE 100           HZ       PHE 100  -1.071  -2.981 -13.014
  816    H    THR 101           H        THR 101  -2.270  -8.709 -16.710
  817    HA   THR 101           HA       THR 101  -3.712 -10.543 -18.379
  818    HB   THR 101           HB       THR 101  -1.263 -11.589 -18.449
  819    HG1  THR 101           1HG      THR 101   0.191 -10.372 -17.513
  820   1HG2  THR 101          1HG2      THR 101  -0.761  -9.515 -20.063
  821   2HG2  THR 101          2HG2      THR 101  -2.488  -9.257 -19.809
  822   3HG2  THR 101          3HG2      THR 101  -1.913 -10.784 -20.477
  823    H    ASN 102           H        ASN 102  -2.417 -12.917 -18.167
  824    HA   ASN 102           HA       ASN 102  -3.763 -14.156 -16.003
  825   1HB   ASN 102          2HB       ASN 102  -1.555 -15.510 -17.512
  826   2HB   ASN 102          1HB       ASN 102  -3.070 -16.182 -16.917
  827   1HD2  ASN 102          1HD2      ASN 102  -5.033 -14.907 -17.904
  828   2HD2  ASN 102          2HD2      ASN 102  -4.986 -14.761 -19.624
  829    H    THR 103           H        THR 103  -1.107 -12.300 -15.832
  830    HA   THR 103           HA       THR 103   0.413 -13.968 -13.993
  831    HB   THR 103           HB       THR 103   1.643 -12.568 -15.607
  832    HG1  THR 103           1HG      THR 103   2.742 -13.014 -13.716
  833   1HG2  THR 103          1HG2      THR 103   1.405 -10.032 -14.311
  834   2HG2  THR 103          2HG2      THR 103  -0.200 -10.583 -14.792
  835   3HG2  THR 103          3HG2      THR 103   1.083 -10.447 -15.994
  836    H    GLN 104           H        GLN 104  -2.347 -12.465 -13.644
  837    HA   GLN 104           HA       GLN 104  -2.030 -10.647 -11.523
  838   1HB   GLN 104          2HB       GLN 104  -4.386 -10.804 -11.216
  839   2HB   GLN 104          1HB       GLN 104  -4.088 -10.957 -12.942
  840   1HG   GLN 104          2HG       GLN 104  -4.199 -13.482 -11.433
  841   2HG   GLN 104          1HG       GLN 104  -5.708 -12.579 -11.543
  842   1HE2  GLN 104          1HE2      GLN 104  -6.006 -11.656 -13.884
  843   2HE2  GLN 104          2HE2      GLN 104  -5.820 -12.827 -15.140
  844    H    ASN 105           H        ASN 105  -1.512 -13.961 -11.593
  845    HA   ASN 105           HA       ASN 105  -2.381 -14.639  -8.961
  846   1HB   ASN 105          2HB       ASN 105  -1.842 -16.179 -11.010
  847   2HB   ASN 105          1HB       ASN 105  -0.197 -16.124 -10.382
  848   1HD2  ASN 105          1HD2      ASN 105   0.156 -18.001  -9.438
  849   2HD2  ASN 105          2HD2      ASN 105  -0.878 -18.763  -8.282
  850    H    LYS 106           H        LYS 106  -0.031 -12.580  -9.922
  851    HA   LYS 106           HA       LYS 106   1.860 -13.310  -7.807
  852   1HB   LYS 106          2HB       LYS 106   2.025 -11.750 -10.317
  853   2HB   LYS 106          1HB       LYS 106   3.001 -11.162  -8.978
  854   1HG   LYS 106          2HG       LYS 106   4.234 -13.161  -8.861
  855   2HG   LYS 106          1HG       LYS 106   3.081 -14.024  -9.880
  856   1HD   LYS 106          2HD       LYS 106   3.750 -12.130 -11.606
  857   2HD   LYS 106          1HD       LYS 106   5.220 -12.099 -10.630
  858   1HE   LYS 106          2HE       LYS 106   4.085 -14.656 -11.724
  859   2HE   LYS 106          1HE       LYS 106   5.183 -13.647 -12.664
  860   1HZ   LYS 106          1HZ       LYS 106   5.892 -15.572 -10.853
  861   2HZ   LYS 106          2HZ       LYS 106   6.173 -14.119 -10.032
  862   3HZ   LYS 106          3HZ       LYS 106   6.915 -14.403 -11.526
  863    H    VAL 107           H        VAL 107  -0.903 -11.842  -7.707
  864    HA   VAL 107           HA       VAL 107  -0.025  -9.431  -6.281
  865    HB   VAL 107           HB       VAL 107  -2.877 -10.143  -6.938
  866   1HG1  VAL 107          1HG1      VAL 107  -2.778  -8.413  -5.342
  867   2HG1  VAL 107          2HG1      VAL 107  -3.049  -7.609  -6.888
  868   3HG1  VAL 107          3HG1      VAL 107  -1.439  -7.619  -6.169
  869   1HG2  VAL 107          1HG2      VAL 107  -2.741  -9.240  -9.037
  870   2HG2  VAL 107          2HG2      VAL 107  -1.146  -9.983  -8.918
  871   3HG2  VAL 107          3HG2      VAL 107  -1.335  -8.251  -8.643
  872    H    LEU 108           H        LEU 108  -0.604  -9.030  -4.153
  873    HA   LEU 108           HA       LEU 108  -1.499 -11.398  -2.653
  874   1HB   LEU 108          2HB       LEU 108   0.287  -9.092  -1.932
  875   2HB   LEU 108          1HB       LEU 108  -0.446 -10.097  -0.697
  876    HG   LEU 108           HG       LEU 108   0.648 -12.075  -1.953
  877   1HD1  LEU 108          1HD1      LEU 108   2.864 -10.423  -2.780
  878   2HD1  LEU 108          2HD1      LEU 108   1.398 -10.018  -3.672
  879   3HD1  LEU 108          3HD1      LEU 108   1.999 -11.676  -3.671
  880   1HD2  LEU 108          1HD2      LEU 108   2.338 -10.064  -0.469
  881   2HD2  LEU 108          2HD2      LEU 108   2.723 -11.770  -0.700
  882   3HD2  LEU 108          3HD2      LEU 108   1.321 -11.304   0.263
  883    H    LYS 109           H        LYS 109  -2.957 -11.153  -0.917
  884    HA   LYS 109           HA       LYS 109  -4.562  -8.684  -1.005
  885   1HB   LYS 109          2HB       LYS 109  -5.347 -11.411  -1.450
  886   2HB   LYS 109          1HB       LYS 109  -6.158 -10.801  -0.014
  887   1HG   LYS 109          2HG       LYS 109  -6.472  -8.735  -1.777
  888   2HG   LYS 109          1HG       LYS 109  -6.575 -10.151  -2.825
  889   1HD   LYS 109          2HD       LYS 109  -8.152  -9.878  -0.274
  890   2HD   LYS 109          1HD       LYS 109  -8.758  -9.339  -1.841
  891   1HE   LYS 109          2HE       LYS 109  -9.467 -11.406  -2.236
  892   2HE   LYS 109          1HE       LYS 109  -7.791 -11.954  -2.216
  893   1HZ   LYS 109          1HZ       LYS 109  -9.678 -11.858   0.071
  894   2HZ   LYS 109          2HZ       LYS 109  -8.023 -12.165   0.240
  895   3HZ   LYS 109          3HZ       LYS 109  -8.994 -13.233  -0.642
  896    H    ILE 110           H        ILE 110  -5.320  -7.861   0.943
  897    HA   ILE 110           HA       ILE 110  -3.783  -8.639   3.266
  898    HB   ILE 110           HB       ILE 110  -4.273  -6.236   2.563
  899   1HG1  ILE 110          2HG1      ILE 110  -5.066  -6.045   5.278
  900   2HG1  ILE 110          1HG1      ILE 110  -4.041  -7.469   5.140
  901   1HG2  ILE 110          1HG2      ILE 110  -6.853  -6.647   4.043
  902   2HG2  ILE 110          2HG2      ILE 110  -6.751  -6.732   2.284
  903   3HG2  ILE 110          3HG2      ILE 110  -6.324  -5.239   3.122
  904   1HD1  ILE 110          1HD1      ILE 110  -2.679  -5.568   3.694
  905   2HD1  ILE 110          2HD1      ILE 110  -2.333  -6.068   5.349
  906   3HD1  ILE 110          3HD1      ILE 110  -3.348  -4.658   5.048
  907    H    THR 111           H        THR 111  -6.678  -9.657   1.982
  908    HA   THR 111           HA       THR 111  -8.396  -9.785   4.183
  909    HB   THR 111           HB       THR 111  -8.188 -11.889   2.025
  910    HG1  THR 111           1HG      THR 111  -9.931  -9.682   1.877
  911   1HG2  THR 111          1HG2      THR 111  -9.664 -12.518   3.839
  912   2HG2  THR 111          2HG2      THR 111 -10.626 -12.092   2.423
  913   3HG2  THR 111          3HG2      THR 111 -10.474 -10.954   3.763
  914    H    ASP 112           H        ASP 112  -5.697 -11.824   3.254
  915    HA   ASP 112           HA       ASP 112  -6.251 -13.815   5.267
  916   1HB   ASP 112          2HB       ASP 112  -5.151 -14.328   3.072
  917   2HB   ASP 112          1HB       ASP 112  -3.733 -13.451   3.634
  918    H    PHE 113           H        PHE 113  -4.689 -10.792   5.189
  919    HA   PHE 113           HA       PHE 113  -3.275 -11.416   7.700
  920   1HB   PHE 113          2HB       PHE 113  -2.543  -9.067   5.986
  921   2HB   PHE 113          1HB       PHE 113  -1.554  -9.951   7.142
  922    HD1  PHE 113           1HD      PHE 113  -1.837  -9.271   3.823
  923    HD2  PHE 113           2HD      PHE 113  -1.461 -12.619   6.423
  924    HE1  PHE 113           1HE      PHE 113  -0.870 -10.587   1.982
  925    HE2  PHE 113           2HE      PHE 113  -0.494 -13.941   4.587
  926    HZ   PHE 113           HZ       PHE 113  -0.196 -12.925   2.364
  927    H    SER 114           H        SER 114  -6.045 -10.163   6.778
  928    HA   SER 114           HA       SER 114  -6.039  -8.158   8.919
  929   1HB   SER 114          2HB       SER 114  -5.956  -6.771   7.006
  930   2HB   SER 114          1HB       SER 114  -7.074  -7.795   6.109
  931    HG   SER 114           HG       SER 114  -8.079  -5.895   6.904
  932    HA   PRO 115           HA       PRO 115  -9.563 -11.121   9.273
  933   1HB   PRO 115          2HB       PRO 115  -9.066 -12.025  11.757
  934   2HB   PRO 115          1HB       PRO 115  -8.252 -12.680  10.333
  935   1HG   PRO 115          2HG       PRO 115  -7.244 -10.765  12.381
  936   2HG   PRO 115          1HG       PRO 115  -6.382 -12.055  11.527
  937   1HD   PRO 115          2HD       PRO 115  -6.280  -9.353  10.888
  938   2HD   PRO 115          1HD       PRO 115  -5.836 -10.681   9.800
  939    H    SER 116           H        SER 116  -8.686  -9.904  12.484
  940    HA   SER 116           HA       SER 116 -11.343  -9.146  13.074
  941   1HB   SER 116          2HB       SER 116  -9.110  -7.984  14.660
  942   2HB   SER 116          1HB       SER 116 -10.595  -8.764  15.204
  943    HG   SER 116           HG       SER 116  -9.170 -10.303  15.607
  944    H    LEU 117           H        LEU 117  -9.271  -7.629  11.036
  945    HA   LEU 117           HA       LEU 117  -9.804  -4.908  11.861
  946   1HB   LEU 117          2HB       LEU 117  -8.077  -6.239   9.940
  947   2HB   LEU 117          1HB       LEU 117  -8.862  -4.835   9.245
  948    HG   LEU 117           HG       LEU 117  -6.997  -4.934  11.605
  949   1HD1  LEU 117          1HD1      LEU 117  -6.244  -4.778   9.141
  950   2HD1  LEU 117          2HD1      LEU 117  -5.560  -3.656  10.316
  951   3HD1  LEU 117          3HD1      LEU 117  -6.843  -3.121   9.231
  952   1HD2  LEU 117          1HD2      LEU 117  -8.532  -3.425  12.437
  953   2HD2  LEU 117          2HD2      LEU 117  -8.987  -2.842  10.836
  954   3HD2  LEU 117          3HD2      LEU 117  -7.441  -2.368  11.540
  955    H    ASN 118           H        ASN 118 -10.733  -7.010   9.146
  956    HA   ASN 118           HA       ASN 118 -12.377  -6.824   7.572
  957   1HB   ASN 118          2HB       ASN 118 -13.532  -7.235   9.895
  958   2HB   ASN 118          1HB       ASN 118 -14.135  -5.598   9.664
  959   1HD2  ASN 118          1HD2      ASN 118 -13.539  -7.589   6.902
  960   2HD2  ASN 118          2HD2      ASN 118 -15.191  -7.909   6.516
  961    H    TYR 119           H        TYR 119 -10.699  -4.767   7.236
  962    HA   TYR 119           HA       TYR 119 -12.128  -2.257   7.257
  963   1HB   TYR 119          2HB       TYR 119 -10.093  -1.316   7.105
  964   2HB   TYR 119          1HB       TYR 119  -9.472  -2.932   7.408
  965    HD1  TYR 119           1HD      TYR 119  -8.940  -4.390   5.341
  966    HD2  TYR 119           2HD      TYR 119  -9.548  -0.185   5.158
  967    HE1  TYR 119           1HE      TYR 119  -7.750  -4.316   3.184
  968    HE2  TYR 119           2HE      TYR 119  -8.369  -0.101   3.011
  969    HH   TYR 119           HH       TYR 119  -6.378  -2.173   1.917
  970    H    ASP 120           H        ASP 120 -12.247  -0.916   5.247
  971    HA   ASP 120           HA       ASP 120 -12.704  -2.565   2.854
  972   1HB   ASP 120          2HB       ASP 120 -14.610  -0.819   4.298
  973   2HB   ASP 120          1HB       ASP 120 -14.629  -0.705   2.541
  974    H    GLU 121           H        GLU 121 -11.104  -1.915   1.574
  975    HA   GLU 121           HA       GLU 121  -9.518  -0.526   0.615
  976   1HB   GLU 121          2HB       GLU 121 -11.771   1.035  -0.509
  977   2HB   GLU 121          1HB       GLU 121 -10.439   0.229  -1.324
  978   1HG   GLU 121          2HG       GLU 121 -11.874  -1.344  -1.920
  979   2HG   GLU 121          1HG       GLU 121 -11.934  -1.837  -0.229
  980    H    VAL 122           H        VAL 122  -8.402   0.737   2.030
  981    HA   VAL 122           HA       VAL 122  -7.655   2.635   3.029
  982    HB   VAL 122           HB       VAL 122  -9.712   4.119   1.397
  983   1HG1  VAL 122          1HG1      VAL 122  -8.241   5.981   1.570
  984   2HG1  VAL 122          2HG1      VAL 122  -6.982   4.993   2.310
  985   3HG1  VAL 122          3HG1      VAL 122  -8.468   5.336   3.196
  986   1HG2  VAL 122          1HG2      VAL 122  -6.922   3.359   0.546
  987   2HG2  VAL 122          2HG2      VAL 122  -8.121   4.241  -0.399
  988   3HG2  VAL 122          3HG2      VAL 122  -8.387   2.544   0.002
  989    HA   PRO 123           HA       PRO 123 -10.545   3.192   6.371
  990   1HB   PRO 123          2HB       PRO 123  -8.639   4.855   7.734
  991   2HB   PRO 123          1HB       PRO 123  -9.025   3.163   8.038
  992   1HG   PRO 123          2HG       PRO 123  -6.618   4.057   7.053
  993   2HG   PRO 123          1HG       PRO 123  -7.250   2.417   6.823
  994   1HD   PRO 123          2HD       PRO 123  -7.274   4.743   4.942
  995   2HD   PRO 123          1HD       PRO 123  -7.001   3.019   4.605
  996    H    ASP 124           H        ASP 124  -9.674   5.831   7.850
  997    HA   ASP 124           HA       ASP 124 -10.325   8.007   7.960
  998   1HB   ASP 124          2HB       ASP 124  -9.754   9.126   6.123
  999   2HB   ASP 124          1HB       ASP 124  -9.740   7.619   5.213
 1000    HA   PRO 125           HA       PRO 125 -14.642   7.858   8.727
 1001   1HB   PRO 125          2HB       PRO 125 -15.384  10.474   8.296
 1002   2HB   PRO 125          1HB       PRO 125 -14.616   9.878   9.771
 1003   1HG   PRO 125          2HG       PRO 125 -13.392  11.268   7.424
 1004   2HG   PRO 125          1HG       PRO 125 -13.063  11.485   9.153
 1005   1HD   PRO 125          2HD       PRO 125 -11.413  10.070   7.582
 1006   2HD   PRO 125          1HD       PRO 125 -11.726   9.593   9.264
 1007    H    TRP 126           H        TRP 126 -13.587   9.193   5.671
 1008    HA   TRP 126           HA       TRP 126 -16.148   9.381   4.466
 1009   1HB   TRP 126          2HB       TRP 126 -14.510  10.624   3.363
 1010   2HB   TRP 126          1HB       TRP 126 -13.331   9.320   3.429
 1011    HD1  TRP 126           HD       TRP 126 -12.905   8.256   1.152
 1012    HE1  TRP 126           1HE      TRP 126 -14.247   7.920  -1.019
 1013    HE3  TRP 126           3HE      TRP 126 -17.338  10.344   2.607
 1014    HZ2  TRP 126           2HZ      TRP 126 -16.840   8.469  -1.986
 1015    HZ3  TRP 126           3HZ      TRP 126 -19.201  10.397   0.999
 1016    HH2  TRP 126           HH       TRP 126 -18.955   9.479  -1.250
 1017    H    TYR 127           H        TYR 127 -13.914   6.768   4.968
 1018    HA   TYR 127           HA       TYR 127 -15.419   5.014   3.179
 1019   1HB   TYR 127          2HB       TYR 127 -12.772   4.798   4.575
 1020   2HB   TYR 127          1HB       TYR 127 -13.573   3.356   3.962
 1021    HD1  TYR 127           1HD      TYR 127 -14.085   3.212   1.500
 1022    HD2  TYR 127           2HD      TYR 127 -11.573   6.234   3.127
 1023    HE1  TYR 127           1HE      TYR 127 -13.154   3.631  -0.735
 1024    HE2  TYR 127           2HE      TYR 127 -10.635   6.673   0.898
 1025    HH   TYR 127           HH       TYR 127 -11.948   5.931  -1.824
 1026    H    SER 128           H        SER 128 -14.213   4.929   6.544
 1027    HA   SER 128           HA       SER 128 -16.285   2.966   7.185
 1028   1HB   SER 128          2HB       SER 128 -15.032   2.439   9.138
 1029   2HB   SER 128          1HB       SER 128 -13.853   2.626   7.841
 1030    HG   SER 128           HG       SER 128 -13.965   3.923  10.146
 1031    H    GLY 129           H        GLY 129 -14.961   5.949   8.659
 1032   1HA   GLY 129          2HA       GLY 129 -16.941   7.602   8.975
 1033   2HA   GLY 129          1HA       GLY 129 -17.544   6.320  10.012
 1034    H    ASN 130           H        ASN 130 -14.211   6.355  10.191
 1035    HA   ASN 130           HA       ASN 130 -14.201   8.279  12.415
 1036   1HB   ASN 130          2HB       ASN 130 -14.343   5.683  12.977
 1037   2HB   ASN 130          1HB       ASN 130 -12.604   5.779  12.713
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.659   7.858  13.819
 1039   2HD2  ASN 130          2HD2      ASN 130 -12.116   8.046  15.476
 1040    H    PHE 131           H        PHE 131 -12.258   9.321  12.819
 1041    HA   PHE 131           HA       PHE 131 -10.482   9.509  10.561
 1042   1HB   PHE 131          2HB       PHE 131 -10.344  10.878  13.257
 1043   2HB   PHE 131          1HB       PHE 131  -9.398  11.306  11.836
 1044    HD1  PHE 131           1HD      PHE 131 -10.250  12.767  10.216
 1045    HD2  PHE 131           2HD      PHE 131 -12.848  11.146  13.172
 1046    HE1  PHE 131           1HE      PHE 131 -12.023  14.317   9.503
 1047    HE2  PHE 131           2HE      PHE 131 -14.625  12.694  12.465
 1048    HZ   PHE 131           HZ       PHE 131 -14.214  14.281  10.628
 1049    H    ASP 132           H        ASP 132 -10.185   8.555  13.962
 1050    HA   ASP 132           HA       ASP 132  -7.464   7.896  13.961
 1051   1HB   ASP 132          2HB       ASP 132  -9.602   6.536  15.610
 1052   2HB   ASP 132          1HB       ASP 132  -7.896   6.715  16.010
 1053    H    GLU 133           H        GLU 133 -10.165   6.309  12.590
 1054    HA   GLU 133           HA       GLU 133  -9.423   3.641  12.623
 1055   1HB   GLU 133          2HB       GLU 133 -11.553   4.026  11.792
 1056   2HB   GLU 133          1HB       GLU 133 -11.024   5.338  10.750
 1057   1HG   GLU 133          2HG       GLU 133 -11.190   3.885   9.085
 1058   2HG   GLU 133          1HG       GLU 133  -9.709   3.161   9.712
 1059    H    THR 134           H        THR 134  -8.254   6.275  10.599
 1060    HA   THR 134           HA       THR 134  -6.913   4.759   8.658
 1061    HB   THR 134           HB       THR 134  -5.351   6.795   8.530
 1062    HG1  THR 134           1HG      THR 134  -6.075   7.414  10.780
 1063   1HG2  THR 134          1HG2      THR 134  -8.159   7.705   8.213
 1064   2HG2  THR 134          2HG2      THR 134  -7.668   6.260   7.328
 1065   3HG2  THR 134          3HG2      THR 134  -6.810   7.780   7.079
 1066    H    TYR 135           H        TYR 135  -5.953   5.793  11.881
 1067    HA   TYR 135           HA       TYR 135  -3.247   4.972  11.684
 1068   1HB   TYR 135          2HB       TYR 135  -4.192   6.562  13.400
 1069   2HB   TYR 135          1HB       TYR 135  -4.897   5.165  14.206
 1070    HD1  TYR 135           1HD      TYR 135  -1.564   5.150  12.603
 1071    HD2  TYR 135           2HD      TYR 135  -3.716   5.388  16.267
 1072    HE1  TYR 135           1HE      TYR 135   0.530   4.815  13.848
 1073    HE2  TYR 135           2HE      TYR 135  -1.627   5.054  17.521
 1074    HH   TYR 135           HH       TYR 135   1.105   3.859  16.263
 1075    H    LYS 136           H        LYS 136  -6.164   3.415  12.961
 1076    HA   LYS 136           HA       LYS 136  -4.964   1.090  13.942
 1077   1HB   LYS 136          2HB       LYS 136  -7.725   1.602  12.846
 1078   2HB   LYS 136          1HB       LYS 136  -7.253   0.052  13.530
 1079   1HG   LYS 136          2HG       LYS 136  -6.831   2.534  15.124
 1080   2HG   LYS 136          1HG       LYS 136  -8.451   1.843  14.998
 1081   1HD   LYS 136          2HD       LYS 136  -6.474  -0.192  15.559
 1082   2HD   LYS 136          1HD       LYS 136  -6.441   1.089  16.772
 1083   1HE   LYS 136          2HE       LYS 136  -8.784  -0.610  15.942
 1084   2HE   LYS 136          1HE       LYS 136  -7.989  -0.563  17.515
 1085   1HZ   LYS 136          1HZ       LYS 136  -8.720   1.813  17.646
 1086   2HZ   LYS 136          2HZ       LYS 136  -9.971   0.677  17.705
 1087   3HZ   LYS 136          3HZ       LYS 136  -9.676   1.536  16.278
 1088    H    ILE 137           H        ILE 137  -6.373   1.702  10.731
 1089    HA   ILE 137           HA       ILE 137  -5.758  -0.869   9.698
 1090    HB   ILE 137           HB       ILE 137  -6.131   1.607   8.032
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.894   1.441   9.799
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.517   1.313   8.158
 1093   1HG2  ILE 137          1HG2      ILE 137  -7.465  -0.593   6.940
 1094   2HG2  ILE 137          2HG2      ILE 137  -5.911  -1.211   7.503
 1095   3HG2  ILE 137          3HG2      ILE 137  -5.965   0.142   6.373
 1096   1HD1  ILE 137          1HD1      ILE 137  -8.241  -0.820  10.235
 1097   2HD1  ILE 137          2HD1      ILE 137  -8.389  -1.221   8.524
 1098   3HD1  ILE 137          3HD1      ILE 137  -9.672  -0.320   9.333
 1099    H    LEU 138           H        LEU 138  -4.247   2.313   9.106
 1100    HA   LEU 138           HA       LEU 138  -2.218   1.511   7.424
 1101   1HB   LEU 138          2HB       LEU 138  -2.891   3.842   8.818
 1102   2HB   LEU 138          1HB       LEU 138  -1.243   3.486   9.293
 1103    HG   LEU 138           HG       LEU 138  -1.211   4.989   7.418
 1104   1HD1  LEU 138          1HD1      LEU 138  -0.465   2.203   6.543
 1105   2HD1  LEU 138          2HD1      LEU 138   0.541   3.297   7.495
 1106   3HD1  LEU 138          3HD1      LEU 138   0.123   3.705   5.830
 1107   1HD2  LEU 138          1HD2      LEU 138  -2.125   3.661   5.212
 1108   2HD2  LEU 138          2HD2      LEU 138  -3.003   4.920   6.080
 1109   3HD2  LEU 138          3HD2      LEU 138  -3.320   3.221   6.433
 1110    H    SER 139           H        SER 139  -2.183   1.572  10.973
 1111    HA   SER 139           HA       SER 139   0.480   0.759  11.302
 1112   1HB   SER 139          2HB       SER 139  -1.003   1.713  13.093
 1113   2HB   SER 139          1HB       SER 139  -1.811   0.148  13.180
 1114    HG   SER 139           HG       SER 139   0.478   0.914  14.330
 1115    H    LEU 140           H        LEU 140  -2.496  -1.212  11.497
 1116    HA   LEU 140           HA       LEU 140  -1.240  -3.683  11.811
 1117   1HB   LEU 140          2HB       LEU 140  -3.906  -2.714  11.164
 1118   2HB   LEU 140          1HB       LEU 140  -3.543  -4.233  10.370
 1119    HG   LEU 140           HG       LEU 140  -4.679  -4.614  12.487
 1120   1HD1  LEU 140          1HD1      LEU 140  -1.936  -5.483  13.161
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.568  -5.980  11.591
 1122   3HD1  LEU 140          3HD1      LEU 140  -3.434  -6.409  13.066
 1123   1HD2  LEU 140          1HD2      LEU 140  -3.515  -2.445  13.450
 1124   2HD2  LEU 140          2HD2      LEU 140  -2.355  -3.628  14.052
 1125   3HD2  LEU 140          3HD2      LEU 140  -4.055  -3.753  14.503
 1126    H    ALA 141           H        ALA 141  -2.589  -2.316   8.807
 1127    HA   ALA 141           HA       ALA 141  -1.761  -4.289   7.059
 1128   1HB   ALA 141          1HB       ALA 141  -3.308  -2.576   6.375
 1129   2HB   ALA 141          2HB       ALA 141  -1.916  -2.562   5.293
 1130   3HB   ALA 141          3HB       ALA 141  -2.068  -1.333   6.549
 1131    H    CYS 142           H        CYS 142   0.007  -1.390   8.108
 1132    HA   CYS 142           HA       CYS 142   2.238  -1.678   6.442
 1133   1HB   CYS 142          2HB       CYS 142   1.765   0.357   7.756
 1134   2HB   CYS 142          1HB       CYS 142   2.145  -0.518   9.235
 1135    HG   CYS 142           HG       CYS 142   4.617  -0.674   7.013
 1136    H    LYS 143           H        LYS 143   1.423  -3.145   9.528
 1137    HA   LYS 143           HA       LYS 143   3.975  -4.277  10.044
 1138   1HB   LYS 143          2HB       LYS 143   1.788  -3.949  11.551
 1139   2HB   LYS 143          1HB       LYS 143   1.535  -5.622  11.077
 1140   1HG   LYS 143          2HG       LYS 143   2.800  -6.125  12.839
 1141   2HG   LYS 143          1HG       LYS 143   4.163  -5.628  11.833
 1142   1HD   LYS 143          2HD       LYS 143   4.009  -3.364  12.733
 1143   2HD   LYS 143          1HD       LYS 143   2.626  -3.839  13.717
 1144   1HE   LYS 143          2HE       LYS 143   4.015  -5.421  14.937
 1145   2HE   LYS 143          1HE       LYS 143   5.398  -5.013  13.921
 1146   1HZ   LYS 143          1HZ       LYS 143   4.606  -3.780  16.277
 1147   2HZ   LYS 143          2HZ       LYS 143   4.313  -2.663  15.042
 1148   3HZ   LYS 143          3HZ       LYS 143   5.860  -3.314  15.241
 1149    H    ASN 144           H        ASN 144   0.942  -5.877   9.038
 1150    HA   ASN 144           HA       ASN 144   1.942  -8.374   8.479
 1151   1HB   ASN 144          2HB       ASN 144  -0.237  -6.892   6.991
 1152   2HB   ASN 144          1HB       ASN 144   0.040  -8.629   6.906
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.769  -6.299   8.323
 1154   2HD2  ASN 144          2HD2      ASN 144  -2.272  -7.140   9.745
 1155    H    LEU 145           H        LEU 145   1.694  -5.624   6.242
 1156    HA   LEU 145           HA       LEU 145   2.807  -6.892   4.005
 1157   1HB   LEU 145          2HB       LEU 145   1.666  -4.510   4.388
 1158   2HB   LEU 145          1HB       LEU 145   3.342  -4.000   4.449
 1159    HG   LEU 145           HG       LEU 145   2.340  -3.745   2.207
 1160   1HD1  LEU 145          1HD1      LEU 145   4.650  -5.600   2.619
 1161   2HD1  LEU 145          2HD1      LEU 145   4.653  -3.906   2.134
 1162   3HD1  LEU 145          3HD1      LEU 145   4.126  -5.147   0.998
 1163   1HD2  LEU 145          1HD2      LEU 145   2.329  -6.738   1.993
 1164   2HD2  LEU 145          2HD2      LEU 145   1.618  -5.546   0.904
 1165   3HD2  LEU 145          3HD2      LEU 145   0.896  -5.836   2.487
 1166    H    LEU 146           H        LEU 146   4.303  -5.071   6.642
 1167    HA   LEU 146           HA       LEU 146   6.914  -4.978   5.667
 1168   1HB   LEU 146          2HB       LEU 146   6.504  -3.654   7.538
 1169   2HB   LEU 146          1HB       LEU 146   5.723  -4.956   8.412
 1170    HG   LEU 146           HG       LEU 146   8.199  -5.980   8.266
 1171   1HD1  LEU 146          1HD1      LEU 146   9.685  -3.951   8.877
 1172   2HD1  LEU 146          2HD1      LEU 146   8.487  -3.019   7.981
 1173   3HD1  LEU 146          3HD1      LEU 146   9.377  -4.314   7.179
 1174   1HD2  LEU 146          1HD2      LEU 146   8.498  -5.290  10.534
 1175   2HD2  LEU 146          2HD2      LEU 146   6.776  -5.564  10.274
 1176   3HD2  LEU 146          3HD2      LEU 146   7.410  -3.920  10.317
 1177    H    VAL 147           H        VAL 147   5.183  -7.521   7.365
 1178    HA   VAL 147           HA       VAL 147   7.408  -9.182   7.892
 1179    HB   VAL 147           HB       VAL 147   4.577 -10.130   7.472
 1180   1HG1  VAL 147          1HG1      VAL 147   5.227 -11.807   9.176
 1181   2HG1  VAL 147          2HG1      VAL 147   6.871 -11.170   9.131
 1182   3HG1  VAL 147          3HG1      VAL 147   6.175 -11.918   7.693
 1183   1HG2  VAL 147          1HG2      VAL 147   5.670  -8.360   9.515
 1184   2HG2  VAL 147          2HG2      VAL 147   4.880  -9.792  10.178
 1185   3HG2  VAL 147          3HG2      VAL 147   3.992  -8.714   9.100
 1186    H    PHE 148           H        PHE 148   4.877  -9.502   5.387
 1187    HA   PHE 148           HA       PHE 148   6.146 -11.618   4.027
 1188   1HB   PHE 148          2HB       PHE 148   3.738 -10.155   3.791
 1189   2HB   PHE 148          1HB       PHE 148   4.533 -10.085   2.222
 1190    HD1  PHE 148           1HD      PHE 148   3.055 -12.292   4.747
 1191    HD2  PHE 148           2HD      PHE 148   4.795 -12.046   0.872
 1192    HE1  PHE 148           1HE      PHE 148   2.252 -14.565   4.248
 1193    HE2  PHE 148           2HE      PHE 148   3.994 -14.317   0.364
 1194    HZ   PHE 148           HZ       PHE 148   2.722 -15.579   2.054
 1195    H    LEU 149           H        LEU 149   5.914  -8.180   3.117
 1196    HA   LEU 149           HA       LEU 149   7.459  -8.259   0.832
 1197   1HB   LEU 149          2HB       LEU 149   6.238  -6.298   1.250
 1198   2HB   LEU 149          1HB       LEU 149   6.950  -6.091   2.840
 1199    HG   LEU 149           HG       LEU 149   8.906  -5.983   0.666
 1200   1HD1  LEU 149          1HD1      LEU 149   7.330  -3.506   0.817
 1201   2HD1  LEU 149          2HD1      LEU 149   6.565  -4.844  -0.040
 1202   3HD1  LEU 149          3HD1      LEU 149   8.146  -4.256  -0.556
 1203   1HD2  LEU 149          1HD2      LEU 149   8.458  -3.722   2.503
 1204   2HD2  LEU 149          2HD2      LEU 149   9.949  -4.560   2.074
 1205   3HD2  LEU 149          3HD2      LEU 149   8.853  -5.265   3.261
 1206    H    SER 150           H        SER 150   8.599  -7.506   4.141
 1207    HA   SER 150           HA       SER 150  11.331  -7.341   3.310
 1208   1HB   SER 150          2HB       SER 150   9.901  -6.579   5.572
 1209   2HB   SER 150          1HB       SER 150  10.986  -7.842   6.151
 1210    HG   SER 150           HG       SER 150  11.627  -5.390   5.814
 1211    H    LYS 151           H        LYS 151   9.571  -9.941   3.149
 1212    HA   LYS 151           HA       LYS 151   9.941 -12.183   3.185
 1213   1HB   LYS 151          2HB       LYS 151  12.207 -11.109   2.227
 1214   2HB   LYS 151          1HB       LYS 151  12.852 -11.871   3.673
 1215   1HG   LYS 151          2HG       LYS 151  11.666 -13.987   2.864
 1216   2HG   LYS 151          1HG       LYS 151  11.522 -13.151   1.315
 1217   1HD   LYS 151          2HD       LYS 151  14.159 -13.414   2.729
 1218   2HD   LYS 151          1HD       LYS 151  13.550 -14.680   1.663
 1219   1HE   LYS 151          2HE       LYS 151  14.725 -13.482   0.131
 1220   2HE   LYS 151          1HE       LYS 151  13.201 -12.603   0.043
 1221   1HZ   LYS 151          1HZ       LYS 151  15.130 -11.129   0.234
 1222   2HZ   LYS 151          2HZ       LYS 151  15.516 -11.819   1.729
 1223   3HZ   LYS 151          3HZ       LYS 151  14.074 -10.954   1.546
 1224    H    HIS 152           H        HIS 152   9.004 -12.934   5.009
 1225    HA   HIS 152           HA       HIS 152  10.747 -13.570   7.235
 1226   1HB   HIS 152          2HB       HIS 152   9.142 -11.281   7.382
 1227   2HB   HIS 152          1HB       HIS 152   8.281 -12.501   8.314
 1228    HD1  HIS 152           1HD      HIS 152  12.013 -11.778   8.090
 1229    HD2  HIS 152           2HD      HIS 152   8.945 -11.999  10.883
 1230    HE1  HIS 152           1HE      HIS 152  13.110 -11.413  10.324
 1231    HE2  HIS 152           2HE      HIS 152  11.245 -11.621  12.005
 1232    H    HIS 153           H        HIS 153   9.244 -14.695   9.012
 1233    HA   HIS 153           HA       HIS 153   7.009 -16.147   7.950
 1234   1HB   HIS 153          2HB       HIS 153   9.476 -17.217   7.342
 1235   2HB   HIS 153          1HB       HIS 153   9.025 -18.088   8.804
 1236    HD1  HIS 153           1HD      HIS 153   5.898 -18.074   8.071
 1237    HD2  HIS 153           2HD      HIS 153   9.025 -19.395   5.675
 1238    HE1  HIS 153           1HE      HIS 153   4.865 -19.698   6.454
 1239    HE2  HIS 153           2HE      HIS 153   6.792 -20.554   5.074
 1240    H    HIS 154           H        HIS 154   5.672 -16.643   9.564
 1241    HA   HIS 154           HA       HIS 154   6.533 -16.192  12.292
 1242   1HB   HIS 154          2HB       HIS 154   4.072 -16.025  10.865
 1243   2HB   HIS 154          1HB       HIS 154   3.857 -17.179  12.178
 1244    HD1  HIS 154           1HD      HIS 154   6.289 -14.768  13.241
 1245    HD2  HIS 154           2HD      HIS 154   2.142 -14.870  13.013
 1246    HE1  HIS 154           1HE      HIS 154   5.487 -12.951  14.783
 1247    HE2  HIS 154           2HE      HIS 154   2.977 -12.969  14.555
 1248    H    HIS 155           H        HIS 155   5.127 -17.866  13.830
 1249    HA   HIS 155           HA       HIS 155   6.445 -20.425  13.339
 1250   1HB   HIS 155          2HB       HIS 155   4.980 -20.311  15.828
 1251   2HB   HIS 155          1HB       HIS 155   6.705 -20.534  15.560
 1252    HD1  HIS 155           1HD      HIS 155   4.157 -17.764  15.955
 1253    HD2  HIS 155           2HD      HIS 155   8.258 -18.379  16.217
 1254    HE1  HIS 155           1HE      HIS 155   5.097 -15.631  16.898
 1255    HE2  HIS 155           2HE      HIS 155   7.578 -16.038  17.082
 1256    H    HIS 156           H        HIS 156   4.900 -22.189  14.706
 1257    HA   HIS 156           HA       HIS 156   2.631 -22.488  12.904
 1258   1HB   HIS 156          2HB       HIS 156   4.458 -24.270  14.172
 1259   2HB   HIS 156          1HB       HIS 156   2.838 -24.671  14.731
 1260    HD1  HIS 156           1HD      HIS 156   2.200 -26.667  13.403
 1261    HD2  HIS 156           2HD      HIS 156   3.927 -23.714  11.043
 1262    HE1  HIS 156           1HE      HIS 156   2.009 -27.499  11.038
 1263    HE2  HIS 156           2HE      HIS 156   2.963 -25.646   9.621
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  14.794 -11.217  -7.832
    2   2H    MET   1          2HT       MET   1  16.449 -10.875  -7.775
    3   3H    MET   1          3HT       MET   1  15.546 -10.453  -9.141
    4    HA   MET   1           HA       MET   1  16.063  -8.922  -6.871
    5   1HB   MET   1          2HB       MET   1  14.936  -7.200  -8.183
    6   2HB   MET   1          1HB       MET   1  15.980  -8.168  -9.214
    7   1HG   MET   1          2HG       MET   1  13.545  -9.457  -9.357
    8   2HG   MET   1          1HG       MET   1  13.118  -7.747  -9.332
    9   1HE   MET   1          1HE       MET   1  13.057 -10.282 -11.698
   10   2HE   MET   1          2HE       MET   1  14.717 -10.671 -11.248
   11   3HE   MET   1          3HE       MET   1  14.356 -10.097 -12.876
   12    H    LYS   2           H        LYS   2  14.220  -7.344  -6.117
   13    HA   LYS   2           HA       LYS   2  11.829  -8.890  -5.397
   14   1HB   LYS   2          2HB       LYS   2  13.922  -7.990  -3.620
   15   2HB   LYS   2          1HB       LYS   2  12.387  -7.249  -3.191
   16   1HG   LYS   2          2HG       LYS   2  12.363  -9.172  -1.932
   17   2HG   LYS   2          1HG       LYS   2  11.462  -9.667  -3.366
   18   1HD   LYS   2          2HD       LYS   2  13.342 -10.819  -4.253
   19   2HD   LYS   2          1HD       LYS   2  14.425 -10.109  -3.054
   20   1HE   LYS   2          2HE       LYS   2  13.149 -11.302  -1.285
   21   2HE   LYS   2          1HE       LYS   2  12.214 -12.097  -2.552
   22   1HZ   LYS   2          1HZ       LYS   2  15.114 -12.368  -2.001
   23   2HZ   LYS   2          2HZ       LYS   2  14.396 -12.927  -3.426
   24   3HZ   LYS   2          3HZ       LYS   2  13.927 -13.573  -1.934
   25    H    LYS   3           H        LYS   3  10.267  -7.811  -6.427
   26    HA   LYS   3           HA       LYS   3  10.091  -4.907  -5.976
   27   1HB   LYS   3          2HB       LYS   3   9.936  -6.440  -8.511
   28   2HB   LYS   3          1HB       LYS   3   8.788  -5.125  -8.312
   29   1HG   LYS   3          2HG       LYS   3  11.039  -3.867  -7.577
   30   2HG   LYS   3          1HG       LYS   3  11.707  -5.051  -8.702
   31   1HD   LYS   3          2HD       LYS   3  10.739  -4.082 -10.500
   32   2HD   LYS   3          1HD       LYS   3   9.275  -3.658  -9.612
   33   1HE   LYS   3          2HE       LYS   3  10.093  -1.642  -8.954
   34   2HE   LYS   3          1HE       LYS   3  11.758  -2.221  -8.879
   35   1HZ   LYS   3          1HZ       LYS   3  11.172  -2.356 -11.519
   36   2HZ   LYS   3          2HZ       LYS   3  12.020  -1.098 -10.771
   37   3HZ   LYS   3          3HZ       LYS   3  10.357  -0.952 -11.042
   38    H    ILE   4           H        ILE   4   8.298  -4.328  -4.963
   39    HA   ILE   4           HA       ILE   4   5.932  -6.077  -5.194
   40    HB   ILE   4           HB       ILE   4   5.824  -4.543  -2.783
   41   1HG1  ILE   4          2HG1      ILE   4   8.370  -4.691  -3.107
   42   2HG1  ILE   4          1HG1      ILE   4   7.720  -5.242  -1.567
   43   1HG2  ILE   4          1HG2      ILE   4   5.717  -7.398  -3.605
   44   2HG2  ILE   4          2HG2      ILE   4   4.505  -6.407  -2.792
   45   3HG2  ILE   4          3HG2      ILE   4   5.893  -7.018  -1.892
   46   1HD1  ILE   4          1HD1      ILE   4   8.412  -7.345  -1.896
   47   2HD1  ILE   4          2HD1      ILE   4   9.495  -6.615  -3.080
   48   3HD1  ILE   4          3HD1      ILE   4   7.973  -7.333  -3.604
   49    H    LEU   5           H        LEU   5   4.440  -5.072  -6.362
   50    HA   LEU   5           HA       LEU   5   4.289  -2.170  -6.379
   51   1HB   LEU   5          2HB       LEU   5   3.872  -4.118  -8.300
   52   2HB   LEU   5          1HB       LEU   5   2.252  -3.575  -7.908
   53    HG   LEU   5           HG       LEU   5   4.511  -1.767  -8.775
   54   1HD1  LEU   5          1HD1      LEU   5   2.929  -1.552 -10.808
   55   2HD1  LEU   5          2HD1      LEU   5   2.295  -3.108 -10.271
   56   3HD1  LEU   5          3HD1      LEU   5   3.999  -2.949 -10.698
   57   1HD2  LEU   5          1HD2      LEU   5   2.478  -0.226  -9.154
   58   2HD2  LEU   5          2HD2      LEU   5   3.089  -0.431  -7.513
   59   3HD2  LEU   5          3HD2      LEU   5   1.647  -1.303  -8.032
   60    H    PHE   6           H        PHE   6   3.009  -1.113  -5.007
   61    HA   PHE   6           HA       PHE   6   0.741  -2.523  -3.791
   62   1HB   PHE   6          2HB       PHE   6   1.852   0.178  -3.009
   63   2HB   PHE   6          1HB       PHE   6   0.742  -0.824  -2.087
   64    HD1  PHE   6           1HD      PHE   6   2.472  -3.427  -2.782
   65    HD2  PHE   6           2HD      PHE   6   3.307   0.394  -1.095
   66    HE1  PHE   6           1HE      PHE   6   4.371  -4.383  -1.557
   67    HE2  PHE   6           2HE      PHE   6   5.208  -0.562   0.134
   68    HZ   PHE   6           HZ       PHE   6   5.744  -2.954  -0.098
   69    H    ILE   7           H        ILE   7  -1.244  -2.173  -4.598
   70    HA   ILE   7           HA       ILE   7  -1.688   0.294  -6.145
   71    HB   ILE   7           HB       ILE   7  -3.635  -1.931  -6.349
   72   1HG1  ILE   7          2HG1      ILE   7  -1.261  -2.192  -8.106
   73   2HG1  ILE   7          1HG1      ILE   7  -1.051  -2.707  -6.435
   74   1HG2  ILE   7          1HG2      ILE   7  -2.330  -0.251  -8.479
   75   2HG2  ILE   7          2HG2      ILE   7  -3.771   0.240  -7.588
   76   3HG2  ILE   7          3HG2      ILE   7  -3.812  -1.199  -8.607
   77   1HD1  ILE   7          1HD1      ILE   7  -1.741  -4.661  -7.350
   78   2HD1  ILE   7          2HD1      ILE   7  -2.716  -3.869  -8.589
   79   3HD1  ILE   7          3HD1      ILE   7  -3.313  -3.980  -6.932
   80    H    CYS   8           H        CYS   8  -3.012   1.783  -5.340
   81    HA   CYS   8           HA       CYS   8  -5.103   0.943  -3.455
   82   1HB   CYS   8          2HB       CYS   8  -3.509   3.488  -3.170
   83   2HB   CYS   8          1HB       CYS   8  -4.682   2.826  -2.035
   84    HG   CYS   8           HG       CYS   8  -2.119   2.545  -0.952
   85    H    LEU   9           H        LEU   9  -7.072   1.698  -3.874
   86    HA   LEU   9           HA       LEU   9  -7.603   3.092  -6.275
   87   1HB   LEU   9          2HB       LEU   9  -9.125   1.852  -4.131
   88   2HB   LEU   9          1HB       LEU   9  -9.895   3.309  -4.728
   89    HG   LEU   9           HG       LEU   9  -8.983   1.170  -6.625
   90   1HD1  LEU   9          1HD1      LEU   9 -11.742   1.290  -5.441
   91   2HD1  LEU   9          2HD1      LEU   9 -10.479   0.235  -4.807
   92   3HD1  LEU   9          3HD1      LEU   9 -11.040   0.038  -6.467
   93   1HD2  LEU   9          1HD2      LEU   9 -10.559   2.141  -8.109
   94   2HD2  LEU   9          2HD2      LEU   9  -9.642   3.473  -7.402
   95   3HD2  LEU   9          3HD2      LEU   9 -11.270   3.117  -6.823
   96    H    GLY  10           H        GLY  10  -6.387   4.290  -3.468
   97   1HA   GLY  10          2HA       GLY  10  -7.203   6.996  -4.189
   98   2HA   GLY  10          1HA       GLY  10  -7.611   6.465  -2.565
   99    H    ASN  11           H        ASN  11  -4.992   7.212  -4.769
  100    HA   ASN  11           HA       ASN  11  -2.925   6.824  -2.826
  101   1HB   ASN  11          2HB       ASN  11  -3.094   7.521  -5.643
  102   2HB   ASN  11          1HB       ASN  11  -1.891   8.492  -4.800
  103   1HD2  ASN  11          1HD2      ASN  11  -0.045   7.546  -4.058
  104   2HD2  ASN  11          2HD2      ASN  11   0.396   5.913  -4.409
  105    H    ILE  12           H        ILE  12  -5.009   8.529  -1.888
  106    HA   ILE  12           HA       ILE  12  -3.447  10.966  -1.411
  107    HB   ILE  12           HB       ILE  12  -5.479  12.313  -1.424
  108   1HG1  ILE  12          2HG1      ILE  12  -7.106  10.257  -2.775
  109   2HG1  ILE  12          1HG1      ILE  12  -6.820   9.968  -1.061
  110   1HG2  ILE  12          1HG2      ILE  12  -5.699  10.977  -4.040
  111   2HG2  ILE  12          2HG2      ILE  12  -4.082  11.505  -3.569
  112   3HG2  ILE  12          3HG2      ILE  12  -5.404  12.671  -3.648
  113   1HD1  ILE  12          1HD1      ILE  12  -8.656  11.750  -2.301
  114   2HD1  ILE  12          2HD1      ILE  12  -7.516  12.679  -1.326
  115   3HD1  ILE  12          3HD1      ILE  12  -8.450  11.376  -0.591
  116    H    CYS  13           H        CYS  13  -4.476   8.296   0.001
  117    HA   CYS  13           HA       CYS  13  -4.901   9.659   2.555
  118   1HB   CYS  13          2HB       CYS  13  -7.101   8.943   1.662
  119   2HB   CYS  13          1HB       CYS  13  -6.534   7.279   1.672
  120    HG   CYS  13           HG       CYS  13  -8.295   7.856   3.852
  121    H    ARG  14           H        ARG  14  -5.102   6.190   1.879
  122    HA   ARG  14           HA       ARG  14  -3.107   5.692   3.884
  123   1HB   ARG  14          2HB       ARG  14  -4.126   3.715   4.073
  124   2HB   ARG  14          1HB       ARG  14  -5.293   4.297   2.896
  125   1HG   ARG  14          2HG       ARG  14  -4.709   2.358   1.888
  126   2HG   ARG  14          1HG       ARG  14  -3.459   3.396   1.201
  127   1HD   ARG  14          2HD       ARG  14  -2.463   2.494   3.668
  128   2HD   ARG  14          1HD       ARG  14  -3.187   1.088   2.889
  129    HE   ARG  14           HE       ARG  14  -1.496   2.611   1.141
  130   1HH1  ARG  14          1HH1      ARG  14  -1.566   0.121   3.578
  131   2HH1  ARG  14          2HH1      ARG  14  -0.097  -0.623   3.043
  132   1HH2  ARG  14          1HH2      ARG  14   0.438   1.637   0.428
  133   2HH2  ARG  14          2HH2      ARG  14   1.043   0.239   1.252
  134    H    SER  15           H        SER  15  -3.293   5.382   0.365
  135    HA   SER  15           HA       SER  15  -0.920   4.003  -0.083
  136   1HB   SER  15          2HB       SER  15  -1.420   6.053  -2.094
  137   2HB   SER  15          1HB       SER  15  -1.434   4.296  -2.245
  138    HG   SER  15           HG       SER  15  -3.498   5.139  -2.622
  139    HA   PRO  16           HA       PRO  16   1.340   8.320  -0.420
  140   1HB   PRO  16          2HB       PRO  16   0.240  10.314   1.091
  141   2HB   PRO  16          1HB       PRO  16  -0.102  10.091  -0.628
  142   1HG   PRO  16          2HG       PRO  16  -1.703   9.209   1.749
  143   2HG   PRO  16          1HG       PRO  16  -2.258   9.981   0.249
  144   1HD   PRO  16          2HD       PRO  16  -2.496   7.341   0.628
  145   2HD   PRO  16          1HD       PRO  16  -2.101   8.013  -0.968
  146    H    MET  17           H        MET  17  -0.448   7.729   2.591
  147    HA   MET  17           HA       MET  17   1.522   8.541   4.389
  148   1HB   MET  17          2HB       MET  17  -0.674   6.493   4.627
  149   2HB   MET  17          1HB       MET  17   0.364   6.929   5.976
  150   1HG   MET  17          2HG       MET  17  -1.988   8.200   5.081
  151   2HG   MET  17          1HG       MET  17  -0.952   8.635   6.438
  152   1HE   MET  17          1HE       MET  17  -2.730  10.122   3.701
  153   2HE   MET  17          2HE       MET  17  -1.947  11.701   3.749
  154   3HE   MET  17          3HE       MET  17  -2.539  10.965   5.239
  155    H    ALA  18           H        ALA  18   0.761   5.203   3.374
  156    HA   ALA  18           HA       ALA  18   3.025   4.063   4.603
  157   1HB   ALA  18          1HB       ALA  18   2.548   2.094   3.168
  158   2HB   ALA  18          2HB       ALA  18   1.311   3.045   2.344
  159   3HB   ALA  18          3HB       ALA  18   1.144   2.680   4.061
  160    H    GLU  19           H        GLU  19   2.618   5.779   1.639
  161    HA   GLU  19           HA       GLU  19   4.764   4.735   0.156
  162   1HB   GLU  19          2HB       GLU  19   3.029   6.282  -0.744
  163   2HB   GLU  19          1HB       GLU  19   3.761   7.590   0.174
  164   1HG   GLU  19          2HG       GLU  19   5.758   7.482  -1.117
  165   2HG   GLU  19          1HG       GLU  19   5.232   5.996  -1.907
  166    H    PHE  20           H        PHE  20   4.612   7.537   2.339
  167    HA   PHE  20           HA       PHE  20   7.431   8.011   2.241
  168   1HB   PHE  20          2HB       PHE  20   5.359   9.564   2.912
  169   2HB   PHE  20          1HB       PHE  20   5.822   9.031   4.526
  170    HD1  PHE  20           1HD      PHE  20   8.139   9.485   5.341
  171    HD2  PHE  20           2HD      PHE  20   6.608  11.181   1.751
  172    HE1  PHE  20           1HE      PHE  20   9.915  11.187   5.394
  173    HE2  PHE  20           2HE      PHE  20   8.383  12.886   1.795
  174    HZ   PHE  20           HZ       PHE  20  10.039  12.890   3.618
  175    H    ILE  21           H        ILE  21   5.258   6.539   4.650
  176    HA   ILE  21           HA       ILE  21   7.130   6.058   6.650
  177    HB   ILE  21           HB       ILE  21   4.784   4.293   5.944
  178   1HG1  ILE  21          2HG1      ILE  21   4.851   6.547   7.952
  179   2HG1  ILE  21          1HG1      ILE  21   4.302   6.767   6.293
  180   1HG2  ILE  21          1HG2      ILE  21   5.047   3.219   7.918
  181   2HG2  ILE  21          2HG2      ILE  21   5.692   4.644   8.735
  182   3HG2  ILE  21          3HG2      ILE  21   6.731   3.685   7.679
  183   1HD1  ILE  21          1HD1      ILE  21   2.850   4.598   7.127
  184   2HD1  ILE  21          2HD1      ILE  21   2.285   6.267   7.075
  185   3HD1  ILE  21          3HD1      ILE  21   2.933   5.602   8.574
  186    H    MET  22           H        MET  22   6.040   3.800   4.118
  187    HA   MET  22           HA       MET  22   7.804   1.729   4.716
  188   1HB   MET  22          2HB       MET  22   6.467   2.542   2.143
  189   2HB   MET  22          1HB       MET  22   7.491   1.117   2.251
  190   1HG   MET  22          2HG       MET  22   5.435   1.281   4.325
  191   2HG   MET  22          1HG       MET  22   4.807   1.159   2.682
  192   1HE   MET  22          1HE       MET  22   6.561  -1.245   5.594
  193   2HE   MET  22          2HE       MET  22   7.571   0.023   4.898
  194   3HE   MET  22          3HE       MET  22   7.874  -1.667   4.493
  195    H    LYS  23           H        LYS  23   8.170   4.458   2.473
  196    HA   LYS  23           HA       LYS  23  10.589   3.822   1.320
  197   1HB   LYS  23          2HB       LYS  23   9.235   5.759   0.665
  198   2HB   LYS  23          1HB       LYS  23   9.630   6.557   2.180
  199   1HG   LYS  23          2HG       LYS  23  11.134   7.561   0.799
  200   2HG   LYS  23          1HG       LYS  23  12.099   6.190   1.347
  201   1HD   LYS  23          2HD       LYS  23  12.232   5.355  -0.718
  202   2HD   LYS  23          1HD       LYS  23  10.492   5.511  -0.964
  203   1HE   LYS  23          2HE       LYS  23  12.081   8.005  -1.032
  204   2HE   LYS  23          1HE       LYS  23  12.304   6.887  -2.377
  205   1HZ   LYS  23          1HZ       LYS  23   9.603   7.695  -1.499
  206   2HZ   LYS  23          2HZ       LYS  23  10.086   7.070  -2.994
  207   3HZ   LYS  23          3HZ       LYS  23  10.494   8.656  -2.570
  208    H    ASP  24           H        ASP  24   9.979   5.258   4.485
  209    HA   ASP  24           HA       ASP  24  12.713   5.793   5.079
  210   1HB   ASP  24          2HB       ASP  24  10.151   6.084   6.399
  211   2HB   ASP  24          1HB       ASP  24  11.379   5.494   7.517
  212    H    LEU  25           H        LEU  25  10.498   3.237   6.207
  213    HA   LEU  25           HA       LEU  25  12.350   1.828   7.748
  214   1HB   LEU  25          2HB       LEU  25   9.721   1.621   7.375
  215   2HB   LEU  25          1HB       LEU  25  10.230   0.314   6.323
  216    HG   LEU  25           HG       LEU  25  11.601   0.072   8.825
  217   1HD1  LEU  25          1HD1      LEU  25   9.183  -0.547   9.890
  218   2HD1  LEU  25          2HD1      LEU  25   8.799   0.924   8.996
  219   3HD1  LEU  25          3HD1      LEU  25  10.072   0.941  10.217
  220   1HD2  LEU  25          1HD2      LEU  25  10.366  -1.527   6.885
  221   2HD2  LEU  25          2HD2      LEU  25   9.526  -1.868   8.398
  222   3HD2  LEU  25          3HD2      LEU  25  11.277  -2.059   8.298
  223    H    VAL  26           H        VAL  26  11.367   1.245   4.371
  224    HA   VAL  26           HA       VAL  26  12.845  -1.026   3.872
  225    HB   VAL  26           HB       VAL  26  12.824  -0.406   1.496
  226   1HG1  VAL  26          1HG1      VAL  26  10.851  -1.436   2.310
  227   2HG1  VAL  26          2HG1      VAL  26  10.337  -0.088   1.294
  228   3HG1  VAL  26          3HG1      VAL  26  10.292   0.064   3.051
  229   1HG2  VAL  26          1HG2      VAL  26  13.299   1.926   1.559
  230   2HG2  VAL  26          2HG2      VAL  26  11.869   2.252   2.540
  231   3HG2  VAL  26          3HG2      VAL  26  11.689   1.740   0.862
  232    H    LYS  27           H        LYS  27  13.938   2.342   3.723
  233    HA   LYS  27           HA       LYS  27  16.376   2.031   2.490
  234   1HB   LYS  27          2HB       LYS  27  15.440   3.874   4.667
  235   2HB   LYS  27          1HB       LYS  27  17.104   3.937   4.100
  236   1HG   LYS  27          2HG       LYS  27  15.935   4.088   1.743
  237   2HG   LYS  27          1HG       LYS  27  14.591   4.699   2.710
  238   1HD   LYS  27          2HD       LYS  27  15.992   6.444   3.625
  239   2HD   LYS  27          1HD       LYS  27  17.403   5.792   2.791
  240   1HE   LYS  27          2HE       LYS  27  16.022   6.146   0.644
  241   2HE   LYS  27          1HE       LYS  27  15.010   7.186   1.643
  242   1HZ   LYS  27          1HZ       LYS  27  16.487   8.720   0.930
  243   2HZ   LYS  27          2HZ       LYS  27  17.734   7.601   0.697
  244   3HZ   LYS  27          3HZ       LYS  27  17.381   8.161   2.254
  245    H    LYS  28           H        LYS  28  15.461   1.119   5.736
  246    HA   LYS  28           HA       LYS  28  18.060   0.811   6.794
  247   1HB   LYS  28          2HB       LYS  28  16.066   1.041   8.192
  248   2HB   LYS  28          1HB       LYS  28  15.486  -0.522   7.630
  249   1HG   LYS  28          2HG       LYS  28  18.170  -0.678   8.715
  250   2HG   LYS  28          1HG       LYS  28  17.006  -0.046   9.881
  251   1HD   LYS  28          2HD       LYS  28  16.011  -2.337   8.371
  252   2HD   LYS  28          1HD       LYS  28  17.447  -2.700   9.329
  253   1HE   LYS  28          2HE       LYS  28  15.744  -1.133  10.946
  254   2HE   LYS  28          1HE       LYS  28  14.741  -2.369  10.189
  255   1HZ   LYS  28          1HZ       LYS  28  17.194  -2.820  11.799
  256   2HZ   LYS  28          2HZ       LYS  28  16.359  -4.038  10.974
  257   3HZ   LYS  28          3HZ       LYS  28  15.607  -3.205  12.241
  258    H    ALA  29           H        ALA  29  15.785  -1.707   5.593
  259    HA   ALA  29           HA       ALA  29  18.153  -3.400   5.123
  260   1HB   ALA  29          1HB       ALA  29  15.876  -5.007   5.803
  261   2HB   ALA  29          2HB       ALA  29  16.209  -3.833   7.077
  262   3HB   ALA  29          3HB       ALA  29  17.473  -4.945   6.549
  263    H    ASN  30           H        ASN  30  16.478  -1.814   3.220
  264    HA   ASN  30           HA       ASN  30  15.733  -4.072   1.484
  265   1HB   ASN  30          2HB       ASN  30  14.074  -1.844   2.363
  266   2HB   ASN  30          1HB       ASN  30  14.157  -1.960   0.609
  267   1HD2  ASN  30          1HD2      ASN  30  14.323  -4.581   2.957
  268   2HD2  ASN  30          2HD2      ASN  30  12.877  -5.374   2.444
  269    H    LEU  31           H        LEU  31  16.321  -0.554   1.394
  270    HA   LEU  31           HA       LEU  31  17.146  -0.488  -1.299
  271   1HB   LEU  31          2HB       LEU  31  16.829   1.358   0.812
  272   2HB   LEU  31          1HB       LEU  31  18.484   1.527   0.259
  273    HG   LEU  31           HG       LEU  31  17.388   1.654  -2.115
  274   1HD1  LEU  31          1HD1      LEU  31  15.111   2.650  -0.417
  275   2HD1  LEU  31          2HD1      LEU  31  15.126   1.079  -1.218
  276   3HD1  LEU  31          3HD1      LEU  31  15.187   2.558  -2.177
  277   1HD2  LEU  31          1HD2      LEU  31  18.112   3.746  -1.951
  278   2HD2  LEU  31          2HD2      LEU  31  18.231   3.535  -0.204
  279   3HD2  LEU  31          3HD2      LEU  31  16.750   4.175  -0.915
  280    H    GLU  32           H        GLU  32  18.732  -1.438   1.595
  281    HA   GLU  32           HA       GLU  32  21.421  -1.152   0.667
  282   1HB   GLU  32          2HB       GLU  32  20.515  -3.048   2.822
  283   2HB   GLU  32          1HB       GLU  32  22.060  -2.220   2.674
  284   1HG   GLU  32          2HG       GLU  32  19.466  -0.776   3.144
  285   2HG   GLU  32          1HG       GLU  32  20.503  -1.353   4.449
  286    H    LYS  33           H        LYS  33  18.967  -3.625   0.527
  287    HA   LYS  33           HA       LYS  33  20.854  -5.501  -0.713
  288   1HB   LYS  33          2HB       LYS  33  18.284  -5.792   0.753
  289   2HB   LYS  33          1HB       LYS  33  18.607  -6.949  -0.530
  290   1HG   LYS  33          2HG       LYS  33  20.068  -8.065   0.717
  291   2HG   LYS  33          1HG       LYS  33  20.896  -6.586   1.211
  292   1HD   LYS  33          2HD       LYS  33  18.236  -7.282   2.389
  293   2HD   LYS  33          1HD       LYS  33  19.700  -8.058   2.996
  294   1HE   LYS  33          2HE       LYS  33  19.564  -5.082   2.720
  295   2HE   LYS  33          1HE       LYS  33  18.848  -5.879   4.120
  296   1HZ   LYS  33          1HZ       LYS  33  21.688  -6.016   3.266
  297   2HZ   LYS  33          2HZ       LYS  33  21.029  -6.919   4.535
  298   3HZ   LYS  33          3HZ       LYS  33  21.078  -5.232   4.636
  299    H    GLU  34           H        GLU  34  19.403  -3.031  -1.824
  300    HA   GLU  34           HA       GLU  34  18.571  -2.345  -3.817
  301   1HB   GLU  34          2HB       GLU  34  19.861  -4.924  -4.435
  302   2HB   GLU  34          1HB       GLU  34  18.700  -4.356  -5.627
  303   1HG   GLU  34          2HG       GLU  34  19.933  -2.431  -6.083
  304   2HG   GLU  34          1HG       GLU  34  20.869  -2.569  -4.596
  305    H    PHE  35           H        PHE  35  16.583  -2.698  -2.269
  306    HA   PHE  35           HA       PHE  35  14.661  -4.495  -3.594
  307   1HB   PHE  35          2HB       PHE  35  14.894  -3.443  -0.801
  308   2HB   PHE  35          1HB       PHE  35  13.300  -3.850  -1.427
  309    HD1  PHE  35           1HD      PHE  35  12.630  -5.800  -0.408
  310    HD2  PHE  35           2HD      PHE  35  16.615  -5.504  -1.873
  311    HE1  PHE  35           1HE      PHE  35  13.010  -8.163   0.157
  312    HE2  PHE  35           2HE      PHE  35  17.001  -7.869  -1.312
  313    HZ   PHE  35           HZ       PHE  35  15.197  -9.202  -0.296
  314    H    PHE  36           H        PHE  36  12.696  -3.681  -4.357
  315    HA   PHE  36           HA       PHE  36  12.368  -0.763  -4.217
  316   1HB   PHE  36          2HB       PHE  36  13.192  -2.141  -6.495
  317   2HB   PHE  36          1HB       PHE  36  11.479  -1.833  -6.762
  318    HD1  PHE  36           1HD      PHE  36  10.849   0.175  -7.690
  319    HD2  PHE  36           2HD      PHE  36  14.570  -0.077  -5.642
  320    HE1  PHE  36           1HE      PHE  36  11.367   2.486  -8.357
  321    HE2  PHE  36           2HE      PHE  36  15.096   2.233  -6.304
  322    HZ   PHE  36           HZ       PHE  36  13.494   3.519  -7.663
  323    H    ILE  37           H        ILE  37  10.342   0.000  -4.052
  324    HA   ILE  37           HA       ILE  37   8.099  -1.871  -4.314
  325    HB   ILE  37           HB       ILE  37   7.054  -1.089  -2.284
  326   1HG1  ILE  37          2HG1      ILE  37   8.065   1.220  -2.359
  327   2HG1  ILE  37          1HG1      ILE  37   8.031   0.478  -0.765
  328   1HG2  ILE  37          1HG2      ILE  37   8.218  -2.952  -1.704
  329   2HG2  ILE  37          2HG2      ILE  37   9.003  -1.787  -0.638
  330   3HG2  ILE  37          3HG2      ILE  37   9.776  -2.257  -2.152
  331   1HD1  ILE  37          1HD1      ILE  37  10.122   1.614  -1.093
  332   2HD1  ILE  37          2HD1      ILE  37  10.415   0.719  -2.585
  333   3HD1  ILE  37          3HD1      ILE  37  10.406  -0.126  -1.036
  334    H    ASN  38           H        ASN  38   6.436  -1.043  -5.425
  335    HA   ASN  38           HA       ASN  38   6.531   1.826  -6.055
  336   1HB   ASN  38          2HB       ASN  38   4.804  -0.004  -7.634
  337   2HB   ASN  38          1HB       ASN  38   5.779   1.364  -8.164
  338   1HD2  ASN  38          1HD2      ASN  38   5.678  -2.026  -7.602
  339   2HD2  ASN  38          2HD2      ASN  38   7.238  -2.401  -8.243
  340    H    SER  39           H        SER  39   4.284   2.717  -6.664
  341    HA   SER  39           HA       SER  39   2.023   1.653  -5.275
  342   1HB   SER  39          2HB       SER  39   3.762   3.170  -3.708
  343   2HB   SER  39          1HB       SER  39   2.471   4.292  -4.139
  344    HG   SER  39           HG       SER  39   1.341   3.322  -2.670
  345    H    ALA  40           H        ALA  40   0.318   2.201  -6.456
  346    HA   ALA  40           HA       ALA  40  -0.077   4.877  -7.424
  347   1HB   ALA  40          1HB       ALA  40   1.443   4.019  -9.140
  348   2HB   ALA  40          2HB       ALA  40  -0.163   4.329  -9.798
  349   3HB   ALA  40          3HB       ALA  40   0.342   2.676  -9.445
  350    H    GLY  41           H        GLY  41  -2.156   5.073  -8.635
  351   1HA   GLY  41          2HA       GLY  41  -4.184   3.551  -7.283
  352   2HA   GLY  41          1HA       GLY  41  -4.448   4.834  -8.453
  353    H    THR  42           H        THR  42  -6.149   2.840  -8.673
  354    HA   THR  42           HA       THR  42  -5.261   0.671 -10.298
  355    HB   THR  42           HB       THR  42  -8.119   1.541 -10.315
  356    HG1  THR  42           1HG      THR  42  -6.654   0.620  -8.072
  357   1HG2  THR  42          1HG2      THR  42  -8.561  -0.655 -10.708
  358   2HG2  THR  42          2HG2      THR  42  -7.232  -1.216  -9.693
  359   3HG2  THR  42          3HG2      THR  42  -6.907  -0.623 -11.322
  360    H    SER  43           H        SER  43  -7.011   3.689 -10.978
  361    HA   SER  43           HA       SER  43  -6.332   3.328 -13.823
  362   1HB   SER  43          2HB       SER  43  -8.787   3.092 -13.281
  363   2HB   SER  43          1HB       SER  43  -8.770   4.785 -12.791
  364    HG   SER  43           HG       SER  43  -7.656   4.798 -15.118
  365    H    GLY  44           H        GLY  44  -5.625   5.058 -11.145
  366   1HA   GLY  44          2HA       GLY  44  -4.585   7.068 -10.769
  367   2HA   GLY  44          1HA       GLY  44  -4.136   7.016 -12.465
  368    H    GLU  45           H        GLU  45  -7.483   7.031 -11.498
  369    HA   GLU  45           HA       GLU  45  -8.140   9.227 -13.105
  370   1HB   GLU  45          2HB       GLU  45  -9.749   8.423 -10.693
  371   2HB   GLU  45          1HB       GLU  45 -10.322   9.064 -12.225
  372   1HG   GLU  45          2HG       GLU  45  -9.949   7.025 -13.336
  373   2HG   GLU  45          1HG       GLU  45  -8.985   6.389 -12.004
  374    H    HIS  46           H        HIS  46  -7.868   9.033  -9.559
  375    HA   HIS  46           HA       HIS  46  -7.130  11.873  -9.535
  376   1HB   HIS  46          2HB       HIS  46  -8.619  11.208  -7.153
  377   2HB   HIS  46          1HB       HIS  46  -8.893  12.506  -8.309
  378    HD1  HIS  46           1HD      HIS  46 -10.432  11.871 -10.404
  379    HD2  HIS  46           2HD      HIS  46 -10.432   9.159  -7.254
  380    HE1  HIS  46           1HE      HIS  46 -12.464  10.429 -10.757
  381    HE2  HIS  46           2HE      HIS  46 -12.459   8.813  -8.824
  382    H    ASP  47           H        ASP  47  -6.798   8.682  -8.331
  383    HA   ASP  47           HA       ASP  47  -5.590   8.856  -5.907
  384   1HB   ASP  47          2HB       ASP  47  -4.150   7.138  -7.853
  385   2HB   ASP  47          1HB       ASP  47  -4.818   6.736  -6.271
  386    H    GLY  48           H        GLY  48  -4.325  10.573  -5.407
  387   1HA   GLY  48          2HA       GLY  48  -1.791  10.856  -5.336
  388   2HA   GLY  48          1HA       GLY  48  -1.941  11.051  -7.076
  389    H    GLU  49           H        GLU  49  -4.652  12.337  -5.711
  390    HA   GLU  49           HA       GLU  49  -4.115  14.967  -6.438
  391   1HB   GLU  49          2HB       GLU  49  -6.213  13.569  -4.912
  392   2HB   GLU  49          1HB       GLU  49  -6.051  15.282  -4.554
  393   1HG   GLU  49          2HG       GLU  49  -5.980  15.187  -7.309
  394   2HG   GLU  49          1HG       GLU  49  -7.174  13.964  -6.876
  395    H    GLY  50           H        GLY  50  -4.813  14.155  -3.047
  396   1HA   GLY  50          2HA       GLY  50  -2.345  15.446  -2.191
  397   2HA   GLY  50          1HA       GLY  50  -3.835  16.264  -1.749
  398    H    MET  51           H        MET  51  -4.584  15.810   0.206
  399    HA   MET  51           HA       MET  51  -3.860  13.218   1.406
  400   1HB   MET  51          2HB       MET  51  -3.642  14.241   3.518
  401   2HB   MET  51          1HB       MET  51  -2.829  15.326   2.400
  402   1HG   MET  51          2HG       MET  51  -5.654  15.709   3.353
  403   2HG   MET  51          1HG       MET  51  -4.246  16.447   4.112
  404   1HE   MET  51          1HE       MET  51  -6.319  19.215   2.016
  405   2HE   MET  51          2HE       MET  51  -5.900  18.702   3.650
  406   3HE   MET  51          3HE       MET  51  -6.999  17.727   2.675
  407    H    HIS  52           H        HIS  52  -5.390  12.801   3.401
  408    HA   HIS  52           HA       HIS  52  -8.168  13.426   2.688
  409   1HB   HIS  52          2HB       HIS  52  -7.015  10.961   2.164
  410   2HB   HIS  52          1HB       HIS  52  -7.852  10.706   3.691
  411    HD1  HIS  52           1HD      HIS  52  -8.555   9.765   0.595
  412    HD2  HIS  52           2HD      HIS  52 -10.554  12.473   3.032
  413    HE1  HIS  52           1HE      HIS  52 -10.905   9.859  -0.292
  414    HE2  HIS  52           2HE      HIS  52 -12.123  11.423   1.263
  415    H    TYR  53           H        TYR  53  -9.663  13.280   4.429
  416    HA   TYR  53           HA       TYR  53  -8.836  14.304   6.849
  417   1HB   TYR  53          2HB       TYR  53 -11.271  12.546   6.601
  418   2HB   TYR  53          1HB       TYR  53 -11.032  13.936   7.653
  419    HD1  TYR  53           1HD      TYR  53 -10.091  16.018   5.876
  420    HD2  TYR  53           2HD      TYR  53 -13.028  13.019   5.181
  421    HE1  TYR  53           1HE      TYR  53 -11.168  17.467   4.206
  422    HE2  TYR  53           2HE      TYR  53 -14.111  14.459   3.506
  423    HH   TYR  53           HH       TYR  53 -13.642  16.320   2.099
  424    H    GLY  54           H        GLY  54  -8.685  13.400   8.971
  425   1HA   GLY  54          2HA       GLY  54  -8.187  11.784  10.533
  426   2HA   GLY  54          1HA       GLY  54  -8.686  10.572   9.369
  427    H    THR  55           H        THR  55  -6.895  10.864   7.322
  428    HA   THR  55           HA       THR  55  -4.646   9.517   8.312
  429    HB   THR  55           HB       THR  55  -3.943  10.734   5.839
  430    HG1  THR  55           1HG      THR  55  -6.553   9.606   5.763
  431   1HG2  THR  55          1HG2      THR  55  -4.331   8.114   6.993
  432   2HG2  THR  55          2HG2      THR  55  -3.246   8.619   5.697
  433   3HG2  THR  55          3HG2      THR  55  -4.910   8.166   5.328
  434    H    LYS  56           H        LYS  56  -4.928  12.847   7.069
  435    HA   LYS  56           HA       LYS  56  -2.290  13.623   7.667
  436   1HB   LYS  56          2HB       LYS  56  -3.706  15.958   7.947
  437   2HB   LYS  56          1HB       LYS  56  -3.112  15.316   6.423
  438   1HG   LYS  56          2HG       LYS  56  -5.328  15.809   5.974
  439   2HG   LYS  56          1HG       LYS  56  -5.360  14.077   6.309
  440   1HD   LYS  56          2HD       LYS  56  -7.063  14.650   7.676
  441   2HD   LYS  56          1HD       LYS  56  -5.753  15.046   8.792
  442   1HE   LYS  56          2HE       LYS  56  -5.875  17.366   7.514
  443   2HE   LYS  56          1HE       LYS  56  -7.531  16.837   7.225
  444   1HZ   LYS  56          1HZ       LYS  56  -7.894  16.649   9.566
  445   2HZ   LYS  56          2HZ       LYS  56  -7.257  18.186   9.257
  446   3HZ   LYS  56          3HZ       LYS  56  -6.270  16.978   9.907
  447    H    ASN  57           H        ASN  57  -5.215  13.492   9.548
  448    HA   ASN  57           HA       ASN  57  -4.422  14.981  11.787
  449   1HB   ASN  57          2HB       ASN  57  -6.747  14.305  11.357
  450   2HB   ASN  57          1HB       ASN  57  -6.312  12.616  11.604
  451   1HD2  ASN  57          1HD2      ASN  57  -6.335  11.810  13.615
  452   2HD2  ASN  57          2HD2      ASN  57  -6.620  12.735  15.047
  453    H    LYS  58           H        LYS  58  -4.275  11.502  11.155
  454    HA   LYS  58           HA       LYS  58  -3.079  10.740  13.574
  455   1HB   LYS  58          2HB       LYS  58  -4.189   9.362  11.614
  456   2HB   LYS  58          1HB       LYS  58  -2.530   9.243  11.048
  457   1HG   LYS  58          2HG       LYS  58  -3.260   7.317  12.410
  458   2HG   LYS  58          1HG       LYS  58  -1.851   8.154  13.068
  459   1HD   LYS  58          2HD       LYS  58  -4.120   9.395  14.185
  460   2HD   LYS  58          1HD       LYS  58  -4.395   7.654  14.290
  461   1HE   LYS  58          2HE       LYS  58  -3.242   8.029  16.238
  462   2HE   LYS  58          1HE       LYS  58  -1.925   7.617  15.138
  463   1HZ   LYS  58          1HZ       LYS  58  -1.163   9.514  16.175
  464   2HZ   LYS  58          2HZ       LYS  58  -2.683  10.255  16.207
  465   3HZ   LYS  58          3HZ       LYS  58  -1.828  10.145  14.752
  466    H    LEU  59           H        LEU  59  -1.643  11.330  10.382
  467    HA   LEU  59           HA       LEU  59   1.008  10.845  11.141
  468   1HB   LEU  59          2HB       LEU  59   0.001  12.648   8.944
  469   2HB   LEU  59          1HB       LEU  59   1.630  12.021   9.088
  470    HG   LEU  59           HG       LEU  59  -0.803  10.731   8.042
  471   1HD1  LEU  59          1HD1      LEU  59   0.908   9.516   6.724
  472   2HD1  LEU  59          2HD1      LEU  59   2.157  10.391   7.613
  473   3HD1  LEU  59          3HD1      LEU  59   1.022  11.271   6.589
  474   1HD2  LEU  59          1HD2      LEU  59  -0.810   9.118   9.636
  475   2HD2  LEU  59          2HD2      LEU  59   0.868   9.407  10.095
  476   3HD2  LEU  59          3HD2      LEU  59   0.499   8.471   8.648
  477    H    ALA  60           H        ALA  60  -0.731  13.943  10.825
  478    HA   ALA  60           HA       ALA  60   1.321  15.652  11.538
  479   1HB   ALA  60          1HB       ALA  60  -0.423  17.221  12.275
  480   2HB   ALA  60          2HB       ALA  60  -1.610  15.919  12.209
  481   3HB   ALA  60          3HB       ALA  60  -0.821  16.469  10.731
  482    H    GLN  61           H        GLN  61  -0.713  13.627  13.546
  483    HA   GLN  61           HA       GLN  61  -0.119  14.731  16.045
  484   1HB   GLN  61          2HB       GLN  61  -1.780  12.820  15.274
  485   2HB   GLN  61          1HB       GLN  61  -0.454  11.783  15.781
  486   1HG   GLN  61          2HG       GLN  61  -1.096  13.852  17.725
  487   2HG   GLN  61          1HG       GLN  61  -2.442  12.764  17.390
  488   1HE2  GLN  61          1HE2      GLN  61  -1.922  10.426  17.478
  489   2HE2  GLN  61          2HE2      GLN  61  -0.827   9.890  18.703
  490    H    LEU  62           H        LEU  62   1.555  12.165  14.229
  491    HA   LEU  62           HA       LEU  62   3.947  12.710  15.822
  492   1HB   LEU  62          2HB       LEU  62   3.783   9.881  15.369
  493   2HB   LEU  62          1HB       LEU  62   4.011  10.753  16.872
  494    HG   LEU  62           HG       LEU  62   1.335  11.070  16.502
  495   1HD1  LEU  62          1HD1      LEU  62   1.970   8.287  15.540
  496   2HD1  LEU  62          2HD1      LEU  62   1.422   9.604  14.503
  497   3HD1  LEU  62          3HD1      LEU  62   0.373   8.994  15.782
  498   1HD2  LEU  62          1HD2      LEU  62   1.634  10.324  18.580
  499   2HD2  LEU  62          2HD2      LEU  62   3.100   9.449  18.136
  500   3HD2  LEU  62          3HD2      LEU  62   1.521   8.696  17.909
  501    H    ASN  63           H        ASN  63   2.596  10.862  13.101
  502    HA   ASN  63           HA       ASN  63   5.091  10.434  11.815
  503   1HB   ASN  63          2HB       ASN  63   2.402  10.495  10.440
  504   2HB   ASN  63          1HB       ASN  63   3.837   9.586   9.972
  505   1HD2  ASN  63          1HD2      ASN  63   1.345   9.878  12.441
  506   2HD2  ASN  63          2HD2      ASN  63   1.396   8.227  12.945
  507    H    ILE  64           H        ILE  64   4.584  11.175   9.165
  508    HA   ILE  64           HA       ILE  64   5.133  14.049   9.315
  509    HB   ILE  64           HB       ILE  64   5.381  12.631   6.726
  510   1HG1  ILE  64          2HG1      ILE  64   6.230  10.963   8.377
  511   2HG1  ILE  64          1HG1      ILE  64   7.476  11.554   7.282
  512   1HG2  ILE  64          1HG2      ILE  64   7.719  13.988   7.312
  513   2HG2  ILE  64          2HG2      ILE  64   6.457  14.956   8.076
  514   3HG2  ILE  64          3HG2      ILE  64   6.366  14.589   6.353
  515   1HD1  ILE  64          1HD1      ILE  64   8.383  11.403   9.487
  516   2HD1  ILE  64          2HD1      ILE  64   7.055  12.353  10.151
  517   3HD1  ILE  64          3HD1      ILE  64   8.222  13.108   9.065
  518    H    GLU  65           H        GLU  65   3.758  15.540   8.518
  519    HA   GLU  65           HA       GLU  65   1.107  14.995   7.997
  520   1HB   GLU  65          2HB       GLU  65   2.867  17.325   7.714
  521   2HB   GLU  65          1HB       GLU  65   1.463  17.350   6.656
  522   1HG   GLU  65          2HG       GLU  65  -0.037  17.255   8.473
  523   2HG   GLU  65          1HG       GLU  65   1.249  16.838   9.605
  524    H    HIS  66           H        HIS  66   0.977  13.283   6.542
  525    HA   HIS  66           HA       HIS  66   0.928  12.180   4.558
  526   1HB   HIS  66          2HB       HIS  66  -0.251  13.592   2.740
  527   2HB   HIS  66          1HB       HIS  66  -1.111  13.234   4.229
  528    HD1  HIS  66           1HD      HIS  66   0.238  16.026   2.205
  529    HD2  HIS  66           2HD      HIS  66  -1.483  15.476   5.945
  530    HE1  HIS  66           1HE      HIS  66  -0.408  18.326   2.992
  531    HE2  HIS  66           2HE      HIS  66  -1.399  17.974   5.281
  532    H    LYS  67           H        LYS  67   1.207  14.894   2.487
  533    HA   LYS  67           HA       LYS  67   2.809  15.625   1.052
  534   1HB   LYS  67          2HB       LYS  67   4.720  14.130   2.857
  535   2HB   LYS  67          1HB       LYS  67   5.201  15.194   1.544
  536   1HG   LYS  67          2HG       LYS  67   4.982  16.998   2.815
  537   2HG   LYS  67          1HG       LYS  67   3.374  16.508   3.357
  538   1HD   LYS  67          2HD       LYS  67   4.252  16.106   5.361
  539   2HD   LYS  67          1HD       LYS  67   5.146  14.769   4.639
  540   1HE   LYS  67          2HE       LYS  67   6.052  17.529   5.302
  541   2HE   LYS  67          1HE       LYS  67   6.861  15.986   5.568
  542   1HZ   LYS  67          1HZ       LYS  67   6.991  15.932   3.011
  543   2HZ   LYS  67          2HZ       LYS  67   8.071  16.921   3.858
  544   3HZ   LYS  67          3HZ       LYS  67   6.715  17.598   3.107
  545    H    ASN  68           H        ASN  68   4.790  14.560  -0.304
  546    HA   ASN  68           HA       ASN  68   5.299  13.102  -1.970
  547   1HB   ASN  68          2HB       ASN  68   4.803  11.495   0.373
  548   2HB   ASN  68          1HB       ASN  68   4.306  10.621  -1.074
  549   1HD2  ASN  68          1HD2      ASN  68   5.830   9.355  -1.809
  550   2HD2  ASN  68          2HD2      ASN  68   7.529   9.674  -1.791
  551    H    PHE  69           H        PHE  69   2.785  14.458  -2.070
  552    HA   PHE  69           HA       PHE  69   0.848  12.561  -3.082
  553   1HB   PHE  69          2HB       PHE  69  -0.242  14.931  -3.736
  554   2HB   PHE  69          1HB       PHE  69  -0.382  14.218  -2.135
  555    HD1  PHE  69           1HD      PHE  69   0.076  15.557  -0.336
  556    HD2  PHE  69           2HD      PHE  69   1.957  16.407  -4.057
  557    HE1  PHE  69           1HE      PHE  69   1.105  17.564   0.647
  558    HE2  PHE  69           2HE      PHE  69   2.993  18.414  -3.080
  559    HZ   PHE  69           HZ       PHE  69   2.565  18.995  -0.726
  560    H    THR  70           H        THR  70   0.850  11.831  -5.091
  561    HA   THR  70           HA       THR  70   1.402  13.591  -7.317
  562    HB   THR  70           HB       THR  70   2.975  11.276  -7.860
  563    HG1  THR  70           1HG      THR  70   3.823  10.928  -5.950
  564   1HG2  THR  70          1HG2      THR  70   3.017  13.987  -8.367
  565   2HG2  THR  70          2HG2      THR  70   4.263  12.831  -8.837
  566   3HG2  THR  70          3HG2      THR  70   4.431  13.749  -7.340
  567    H    SER  71           H        SER  71  -0.014  13.132  -8.863
  568    HA   SER  71           HA       SER  71  -1.798  10.971  -8.735
  569   1HB   SER  71          2HB       SER  71  -1.201  12.408 -11.309
  570   2HB   SER  71          1HB       SER  71  -2.746  11.807 -10.709
  571    HG   SER  71           HG       SER  71  -1.827  13.568  -8.955
  572    H    LYS  72           H        LYS  72  -1.278   8.904  -8.979
  573    HA   LYS  72           HA       LYS  72   0.523   8.175 -11.192
  574   1HB   LYS  72          2HB       LYS  72   0.814   7.639  -8.395
  575   2HB   LYS  72          1HB       LYS  72   0.566   6.117  -9.241
  576   1HG   LYS  72          2HG       LYS  72   2.583   8.121 -10.189
  577   2HG   LYS  72          1HG       LYS  72   2.963   6.946  -8.929
  578   1HD   LYS  72          2HD       LYS  72   3.129   5.266 -10.403
  579   2HD   LYS  72          1HD       LYS  72   1.664   5.758 -11.254
  580   1HE   LYS  72          2HE       LYS  72   2.797   6.983 -12.780
  581   2HE   LYS  72          1HE       LYS  72   4.017   7.498 -11.615
  582   1HZ   LYS  72          1HZ       LYS  72   5.286   5.655 -11.989
  583   2HZ   LYS  72          2HZ       LYS  72   4.606   5.841 -13.526
  584   3HZ   LYS  72          3HZ       LYS  72   3.978   4.690 -12.459
  585    H    LYS  73           H        LYS  73  -0.001   6.360 -12.395
  586    HA   LYS  73           HA       LYS  73  -2.571   5.069 -11.773
  587   1HB   LYS  73          2HB       LYS  73  -2.249   5.210 -14.606
  588   2HB   LYS  73          1HB       LYS  73  -3.537   5.876 -13.613
  589   1HG   LYS  73          2HG       LYS  73  -2.865   7.879 -14.280
  590   2HG   LYS  73          1HG       LYS  73  -1.435   7.651 -13.273
  591   1HD   LYS  73          2HD       LYS  73  -0.499   8.147 -15.328
  592   2HD   LYS  73          1HD       LYS  73  -0.508   6.382 -15.348
  593   1HE   LYS  73          2HE       LYS  73  -2.311   6.286 -16.820
  594   2HE   LYS  73          1HE       LYS  73  -2.814   7.937 -16.460
  595   1HZ   LYS  73          1HZ       LYS  73  -0.176   7.573 -17.661
  596   2HZ   LYS  73          2HZ       LYS  73  -1.310   8.805 -17.895
  597   3HZ   LYS  73          3HZ       LYS  73  -1.517   7.310 -18.657
  598    H    LEU  74           H        LEU  74  -1.823   3.092 -11.196
  599    HA   LEU  74           HA       LEU  74   0.366   1.738 -12.265
  600   1HB   LEU  74          2HB       LEU  74  -0.462   0.910 -10.241
  601   2HB   LEU  74          1HB       LEU  74  -2.110   0.842 -10.833
  602    HG   LEU  74           HG       LEU  74  -0.285  -0.929 -12.284
  603   1HD1  LEU  74          1HD1      LEU  74  -0.369  -2.594 -10.341
  604   2HD1  LEU  74          2HD1      LEU  74  -0.631  -1.181  -9.317
  605   3HD1  LEU  74          3HD1      LEU  74   0.842  -1.314 -10.278
  606   1HD2  LEU  74          1HD2      LEU  74  -2.102  -2.476 -12.043
  607   2HD2  LEU  74          2HD2      LEU  74  -2.767  -0.895 -12.460
  608   3HD2  LEU  74          3HD2      LEU  74  -2.849  -1.476 -10.796
  609    H    THR  75           H        THR  75   0.679   0.479 -14.026
  610    HA   THR  75           HA       THR  75  -1.655  -0.083 -15.732
  611    HB   THR  75           HB       THR  75   0.832   0.257 -17.219
  612    HG1  THR  75           1HG      THR  75   1.158   2.372 -16.831
  613   1HG2  THR  75          1HG2      THR  75  -1.804   0.221 -17.803
  614   2HG2  THR  75          2HG2      THR  75  -0.583   0.960 -18.839
  615   3HG2  THR  75          3HG2      THR  75  -1.521   1.961 -17.731
  616    H    GLN  76           H        GLN  76  -0.689  -1.585 -17.658
  617    HA   GLN  76           HA       GLN  76  -0.131  -4.060 -16.383
  618   1HB   GLN  76          2HB       GLN  76   0.112  -4.881 -18.776
  619   2HB   GLN  76          1HB       GLN  76  -1.435  -4.165 -18.350
  620   1HG   GLN  76          2HG       GLN  76  -1.048  -2.259 -19.599
  621   2HG   GLN  76          1HG       GLN  76   0.700  -2.494 -19.600
  622   1HE2  GLN  76          1HE2      GLN  76   1.166  -4.873 -20.539
  623   2HE2  GLN  76          2HE2      GLN  76   0.482  -5.117 -22.107
  624    H    LYS  77           H        LYS  77   1.807  -1.873 -18.399
  625    HA   LYS  77           HA       LYS  77   4.112  -3.441 -18.565
  626   1HB   LYS  77          2HB       LYS  77   3.328  -0.877 -19.377
  627   2HB   LYS  77          1HB       LYS  77   4.751  -0.627 -18.376
  628   1HG   LYS  77          2HG       LYS  77   5.344  -2.796 -20.056
  629   2HG   LYS  77          1HG       LYS  77   4.574  -1.573 -21.067
  630   1HD   LYS  77          2HD       LYS  77   6.381  -0.240 -19.343
  631   2HD   LYS  77          1HD       LYS  77   7.230  -1.625 -20.035
  632   1HE   LYS  77          2HE       LYS  77   5.882  -0.596 -22.194
  633   2HE   LYS  77          1HE       LYS  77   6.336   0.851 -21.295
  634   1HZ   LYS  77          1HZ       LYS  77   8.628   0.111 -21.314
  635   2HZ   LYS  77          2HZ       LYS  77   8.037   0.211 -22.895
  636   3HZ   LYS  77          3HZ       LYS  77   8.201  -1.297 -22.147
  637    H    LEU  78           H        LEU  78   3.063  -1.150 -16.094
  638    HA   LEU  78           HA       LEU  78   5.481  -1.204 -14.600
  639   1HB   LEU  78          2HB       LEU  78   3.009   0.157 -14.490
  640   2HB   LEU  78          1HB       LEU  78   3.205  -0.646 -12.944
  641    HG   LEU  78           HG       LEU  78   5.456   0.983 -14.054
  642   1HD1  LEU  78          1HD1      LEU  78   2.975   2.097 -13.803
  643   2HD1  LEU  78          2HD1      LEU  78   4.502   2.969 -13.666
  644   3HD1  LEU  78          3HD1      LEU  78   3.679   2.397 -12.214
  645   1HD2  LEU  78          1HD2      LEU  78   6.325   0.282 -12.129
  646   2HD2  LEU  78          2HD2      LEU  78   4.774  -0.349 -11.577
  647   3HD2  LEU  78          3HD2      LEU  78   5.176   1.348 -11.321
  648    H    CYS  79           H        CYS  79   2.406  -2.947 -14.322
  649    HA   CYS  79           HA       CYS  79   3.030  -4.340 -11.952
  650   1HB   CYS  79          2HB       CYS  79   0.783  -4.470 -12.367
  651   2HB   CYS  79          1HB       CYS  79   1.002  -4.593 -14.109
  652    HG   CYS  79           HG       CYS  79  -0.211  -6.936 -13.362
  653    H    ASP  80           H        ASP  80   3.733  -4.958 -15.320
  654    HA   ASP  80           HA       ASP  80   4.464  -7.662 -15.122
  655   1HB   ASP  80          2HB       ASP  80   4.700  -5.525 -17.085
  656   2HB   ASP  80          1HB       ASP  80   6.099  -6.594 -17.102
  657    H    GLU  81           H        GLU  81   6.014  -4.818 -14.018
  658    HA   GLU  81           HA       GLU  81   8.680  -5.913 -13.987
  659   1HB   GLU  81          2HB       GLU  81   7.424  -3.346 -13.443
  660   2HB   GLU  81          1HB       GLU  81   8.646  -3.748 -12.245
  661   1HG   GLU  81          2HG       GLU  81   9.007  -3.546 -15.223
  662   2HG   GLU  81          1HG       GLU  81   9.671  -2.479 -13.985
  663    H    SER  82           H        SER  82   6.416  -4.900 -11.404
  664    HA   SER  82           HA       SER  82   7.892  -6.039  -9.305
  665   1HB   SER  82          2HB       SER  82   4.918  -5.831  -9.110
  666   2HB   SER  82          1HB       SER  82   6.154  -5.387  -7.932
  667    HG   SER  82           HG       SER  82   5.582  -3.463  -8.675
  668    H    ASP  83           H        ASP  83   7.898  -8.003  -8.353
  669    HA   ASP  83           HA       ASP  83   6.723 -10.193  -9.845
  670   1HB   ASP  83          2HB       ASP  83   9.073  -9.896  -8.417
  671   2HB   ASP  83          1HB       ASP  83   8.085 -10.889  -7.352
  672    H    PHE  84           H        PHE  84   5.955  -8.294  -7.127
  673    HA   PHE  84           HA       PHE  84   3.772 -10.142  -6.455
  674   1HB   PHE  84          2HB       PHE  84   5.949  -9.294  -4.714
  675   2HB   PHE  84          1HB       PHE  84   4.371  -8.898  -4.043
  676    HD1  PHE  84           1HD      PHE  84   2.630 -10.796  -3.985
  677    HD2  PHE  84           2HD      PHE  84   6.811 -11.426  -4.460
  678    HE1  PHE  84           1HE      PHE  84   2.362 -13.119  -3.223
  679    HE2  PHE  84           2HE      PHE  84   6.551 -13.751  -3.700
  680    HZ   PHE  84           HZ       PHE  84   4.323 -14.602  -3.080
  681    H    LEU  85           H        LEU  85   1.835  -9.182  -6.382
  682    HA   LEU  85           HA       LEU  85   1.760  -6.240  -6.222
  683   1HB   LEU  85          2HB       LEU  85   0.166  -8.159  -7.889
  684   2HB   LEU  85          1HB       LEU  85  -0.444  -6.555  -7.525
  685    HG   LEU  85           HG       LEU  85   1.997  -5.903  -8.459
  686   1HD1  LEU  85          1HD1      LEU  85   1.210  -8.440  -9.879
  687   2HD1  LEU  85          2HD1      LEU  85   2.689  -8.142  -8.965
  688   3HD1  LEU  85          3HD1      LEU  85   2.401  -7.287 -10.481
  689   1HD2  LEU  85          1HD2      LEU  85  -0.694  -5.845  -9.386
  690   2HD2  LEU  85          2HD2      LEU  85   0.366  -6.203 -10.749
  691   3HD2  LEU  85          3HD2      LEU  85   0.635  -4.754  -9.780
  692    H    ILE  86           H        ILE  86   0.018  -5.270  -5.124
  693    HA   ILE  86           HA       ILE  86  -1.650  -7.046  -3.484
  694    HB   ILE  86           HB       ILE  86  -0.197  -4.638  -2.381
  695   1HG1  ILE  86          2HG1      ILE  86   0.783  -6.658  -0.934
  696   2HG1  ILE  86          1HG1      ILE  86   0.457  -7.545  -2.420
  697   1HG2  ILE  86          1HG2      ILE  86  -1.222  -5.034  -0.353
  698   2HG2  ILE  86          2HG2      ILE  86  -1.588  -6.714  -0.747
  699   3HG2  ILE  86          3HG2      ILE  86  -2.516  -5.412  -1.490
  700   1HD1  ILE  86          1HD1      ILE  86   1.767  -5.162  -3.153
  701   2HD1  ILE  86          2HD1      ILE  86   2.375  -6.816  -3.232
  702   3HD1  ILE  86          3HD1      ILE  86   2.646  -5.846  -1.785
  703    H    THR  87           H        THR  87  -3.648  -6.577  -4.162
  704    HA   THR  87           HA       THR  87  -4.434  -4.106  -5.279
  705    HB   THR  87           HB       THR  87  -6.806  -5.226  -4.501
  706    HG1  THR  87           1HG      THR  87  -5.498  -7.531  -5.256
  707   1HG2  THR  87          1HG2      THR  87  -5.301  -4.918  -6.865
  708   2HG2  THR  87          2HG2      THR  87  -7.029  -5.237  -6.716
  709   3HG2  THR  87          3HG2      THR  87  -5.894  -6.579  -6.855
  710    H    MET  88           H        MET  88  -5.036  -5.538  -2.069
  711    HA   MET  88           HA       MET  88  -5.393  -4.569  -0.045
  712   1HB   MET  88          2HB       MET  88  -3.886  -2.705  -1.119
  713   2HB   MET  88          1HB       MET  88  -5.395  -1.809  -1.203
  714   1HG   MET  88          2HG       MET  88  -5.665  -2.214   1.252
  715   2HG   MET  88          1HG       MET  88  -4.030  -2.871   1.252
  716   1HE   MET  88          1HE       MET  88  -5.775  -0.180  -0.650
  717   2HE   MET  88          2HE       MET  88  -4.815   1.281  -0.420
  718   3HE   MET  88          3HE       MET  88  -6.007   0.809   0.792
  719    H    ASP  89           H        ASP  89  -7.055  -2.771  -2.638
  720    HA   ASP  89           HA       ASP  89  -9.430  -2.463  -1.029
  721   1HB   ASP  89          2HB       ASP  89  -9.093  -1.893  -3.979
  722   2HB   ASP  89          1HB       ASP  89 -10.339  -1.260  -2.907
  723    H    ASN  90           H        ASN  90 -11.306  -3.609  -1.188
  724    HA   ASN  90           HA       ASN  90 -11.217  -6.263  -2.039
  725   1HB   ASN  90          2HB       ASN  90 -13.344  -4.415  -1.108
  726   2HB   ASN  90          1HB       ASN  90 -13.872  -5.866  -1.953
  727   1HD2  ASN  90          1HD2      ASN  90 -14.705  -6.999  -0.297
  728   2HD2  ASN  90          2HD2      ASN  90 -13.800  -7.531   1.075
  729    H    SER  91           H        SER  91 -13.318  -3.752  -3.466
  730    HA   SER  91           HA       SER  91 -14.039  -5.181  -5.731
  731   1HB   SER  91          2HB       SER  91 -13.928  -2.441  -6.461
  732   2HB   SER  91          1HB       SER  91 -15.334  -3.375  -5.954
  733    HG   SER  91           HG       SER  91 -14.437  -1.377  -4.693
  734    H    ASN  92           H        ASN  92 -11.074  -3.535  -5.051
  735    HA   ASN  92           HA       ASN  92 -10.162  -3.014  -7.646
  736   1HB   ASN  92          2HB       ASN  92  -9.121  -2.843  -5.036
  737   2HB   ASN  92          1HB       ASN  92  -7.987  -3.836  -5.945
  738   1HD2  ASN  92          1HD2      ASN  92  -6.798  -1.742  -5.255
  739   2HD2  ASN  92          2HD2      ASN  92  -6.746  -0.505  -6.460
  740    H    PHE  93           H        PHE  93 -10.161  -5.968  -5.762
  741    HA   PHE  93           HA       PHE  93  -8.344  -7.440  -7.326
  742   1HB   PHE  93          2HB       PHE  93  -9.330  -7.977  -4.999
  743   2HB   PHE  93          1HB       PHE  93 -10.671  -8.690  -5.891
  744    HD1  PHE  93           1HD      PHE  93  -6.937  -8.750  -6.000
  745    HD2  PHE  93           2HD      PHE  93 -10.572 -10.953  -6.202
  746    HE1  PHE  93           1HE      PHE  93  -5.655 -10.834  -6.250
  747    HE2  PHE  93           2HE      PHE  93  -9.296 -13.043  -6.452
  748    HZ   PHE  93           HZ       PHE  93  -6.834 -12.985  -6.475
  749    H    LYS  94           H        LYS  94 -11.908  -7.417  -7.383
  750    HA   LYS  94           HA       LYS  94 -12.219  -9.196  -9.512
  751   1HB   LYS  94          2HB       LYS  94 -13.968  -6.995  -8.440
  752   2HB   LYS  94          1HB       LYS  94 -14.471  -8.009  -9.787
  753   1HG   LYS  94          2HG       LYS  94 -13.519  -9.358  -7.324
  754   2HG   LYS  94          1HG       LYS  94 -15.101  -8.579  -7.286
  755   1HD   LYS  94          2HD       LYS  94 -15.716  -9.860  -9.326
  756   2HD   LYS  94          1HD       LYS  94 -14.172 -10.708  -9.211
  757   1HE   LYS  94          2HE       LYS  94 -15.636 -10.736  -6.704
  758   2HE   LYS  94          1HE       LYS  94 -16.562 -11.452  -8.023
  759   1HZ   LYS  94          1HZ       LYS  94 -13.790 -12.274  -7.891
  760   2HZ   LYS  94          2HZ       LYS  94 -15.184 -13.198  -8.150
  761   3HZ   LYS  94          3HZ       LYS  94 -14.736 -12.768  -6.577
  762    H    ASN  95           H        ASN  95 -11.837  -5.681  -9.507
  763    HA   ASN  95           HA       ASN  95 -12.359  -5.311 -12.262
  764   1HB   ASN  95          2HB       ASN  95 -12.247  -3.581 -10.312
  765   2HB   ASN  95          1HB       ASN  95 -10.535  -3.498 -10.719
  766   1HD2  ASN  95          1HD2      ASN  95 -10.853  -1.311 -11.293
  767   2HD2  ASN  95          2HD2      ASN  95 -11.560  -0.886 -12.811
  768    H    VAL  96           H        VAL  96  -9.251  -5.366 -10.504
  769    HA   VAL  96           HA       VAL  96  -7.626  -5.202 -12.787
  770    HB   VAL  96           HB       VAL  96  -6.877  -4.773 -10.438
  771   1HG1  VAL  96          1HG1      VAL  96  -6.348  -7.699 -10.164
  772   2HG1  VAL  96          2HG1      VAL  96  -7.917  -7.045  -9.695
  773   3HG1  VAL  96          3HG1      VAL  96  -6.449  -6.454  -8.919
  774   1HG2  VAL  96          1HG2      VAL  96  -5.392  -5.266 -12.502
  775   2HG2  VAL  96          2HG2      VAL  96  -5.053  -6.792 -11.685
  776   3HG2  VAL  96          3HG2      VAL  96  -4.658  -5.263 -10.899
  777    H    LEU  97           H        LEU  97  -9.294  -7.891 -11.378
  778    HA   LEU  97           HA       LEU  97  -7.718 -10.008 -12.301
  779   1HB   LEU  97          2HB       LEU  97 -10.029  -9.791 -10.870
  780   2HB   LEU  97          1HB       LEU  97 -10.619 -10.461 -12.378
  781    HG   LEU  97           HG       LEU  97  -8.597 -12.147 -11.992
  782   1HD1  LEU  97          1HD1      LEU  97  -9.412 -11.434  -9.181
  783   2HD1  LEU  97          2HD1      LEU  97  -7.886 -10.961  -9.926
  784   3HD1  LEU  97          3HD1      LEU  97  -8.254 -12.667  -9.680
  785   1HD2  LEU  97          1HD2      LEU  97 -10.177 -13.715 -11.423
  786   2HD2  LEU  97          2HD2      LEU  97 -11.196 -12.433 -12.079
  787   3HD2  LEU  97          3HD2      LEU  97 -11.029 -12.621 -10.333
  788    H    LYS  98           H        LYS  98 -10.403  -8.307 -13.885
  789    HA   LYS  98           HA       LYS  98 -10.081  -9.904 -16.288
  790   1HB   LYS  98          2HB       LYS  98 -11.912  -7.553 -15.789
  791   2HB   LYS  98          1HB       LYS  98 -12.000  -8.678 -17.136
  792   1HG   LYS  98          2HG       LYS  98 -12.541 -10.491 -15.603
  793   2HG   LYS  98          1HG       LYS  98 -12.426  -9.377 -14.239
  794   1HD   LYS  98          2HD       LYS  98 -14.343  -8.205 -14.885
  795   2HD   LYS  98          1HD       LYS  98 -14.290  -8.847 -16.527
  796   1HE   LYS  98          2HE       LYS  98 -14.846 -11.074 -15.664
  797   2HE   LYS  98          1HE       LYS  98 -14.915 -10.419 -14.029
  798   1HZ   LYS  98          1HZ       LYS  98 -17.008 -10.612 -15.739
  799   2HZ   LYS  98          2HZ       LYS  98 -16.564  -8.988 -15.894
  800   3HZ   LYS  98          3HZ       LYS  98 -16.952  -9.617 -14.372
  801    H    ASN  99           H        ASN  99  -9.619  -6.539 -15.276
  802    HA   ASN  99           HA       ASN  99  -8.907  -5.486 -17.765
  803   1HB   ASN  99          2HB       ASN  99  -9.422  -4.263 -15.556
  804   2HB   ASN  99          1HB       ASN  99  -7.719  -4.506 -15.180
  805   1HD2  ASN  99          1HD2      ASN  99  -9.736  -3.405 -17.886
  806   2HD2  ASN  99          2HD2      ASN  99  -8.733  -2.064 -18.309
  807    H    PHE 100           H        PHE 100  -7.151  -7.580 -15.685
  808    HA   PHE 100           HA       PHE 100  -4.662  -6.985 -17.139
  809   1HB   PHE 100          2HB       PHE 100  -5.212  -7.949 -14.372
  810   2HB   PHE 100          1HB       PHE 100  -3.736  -8.490 -15.159
  811    HD1  PHE 100           1HD      PHE 100  -5.130  -5.182 -15.886
  812    HD2  PHE 100           2HD      PHE 100  -2.344  -7.377 -13.531
  813    HE1  PHE 100           1HE      PHE 100  -4.018  -3.082 -15.249
  814    HE2  PHE 100           2HE      PHE 100  -1.229  -5.281 -12.892
  815    HZ   PHE 100           HZ       PHE 100  -2.065  -3.129 -13.750
  816    H    THR 101           H        THR 101  -3.184  -9.060 -17.118
  817    HA   THR 101           HA       THR 101  -4.537 -10.982 -18.772
  818    HB   THR 101           HB       THR 101  -2.130 -12.078 -18.590
  819    HG1  THR 101           1HG      THR 101  -1.801 -10.120 -16.960
  820   1HG2  THR 101          1HG2      THR 101  -3.382 -10.187 -20.305
  821   2HG2  THR 101          2HG2      THR 101  -2.125 -11.360 -20.696
  822   3HG2  THR 101          3HG2      THR 101  -1.683  -9.744 -20.147
  823    H    ASN 102           H        ASN 102  -3.303 -13.342 -18.279
  824    HA   ASN 102           HA       ASN 102  -4.832 -14.415 -16.147
  825   1HB   ASN 102          2HB       ASN 102  -3.886 -16.539 -16.757
  826   2HB   ASN 102          1HB       ASN 102  -4.210 -15.642 -18.237
  827   1HD2  ASN 102          1HD2      ASN 102  -2.029 -17.550 -16.738
  828   2HD2  ASN 102          2HD2      ASN 102  -0.590 -17.065 -17.562
  829    H    THR 103           H        THR 103  -2.385 -12.472 -15.707
  830    HA   THR 103           HA       THR 103  -0.805 -14.055 -13.854
  831    HB   THR 103           HB       THR 103   0.361 -12.444 -15.276
  832    HG1  THR 103           1HG      THR 103   0.716 -12.761 -12.743
  833   1HG2  THR 103          1HG2      THR 103  -0.578 -10.072 -13.819
  834   2HG2  THR 103          2HG2      THR 103  -1.777 -10.801 -14.889
  835   3HG2  THR 103          3HG2      THR 103  -0.219 -10.284 -15.533
  836    H    GLN 104           H        GLN 104  -3.750 -12.945 -13.550
  837    HA   GLN 104           HA       GLN 104  -3.844 -11.193 -11.390
  838   1HB   GLN 104          2HB       GLN 104  -5.884 -13.329 -11.364
  839   2HB   GLN 104          1HB       GLN 104  -6.081 -11.584 -11.348
  840   1HG   GLN 104          2HG       GLN 104  -6.482 -11.526 -13.525
  841   2HG   GLN 104          1HG       GLN 104  -5.061 -12.504 -13.888
  842   1HE2  GLN 104          1HE2      GLN 104  -5.864 -13.921 -15.316
  843   2HE2  GLN 104          2HE2      GLN 104  -7.166 -15.011 -15.000
  844    H    ASN 105           H        ASN 105  -2.784 -14.432 -11.487
  845    HA   ASN 105           HA       ASN 105  -3.360 -15.117  -8.770
  846   1HB   ASN 105          2HB       ASN 105  -1.726 -16.331 -10.965
  847   2HB   ASN 105          1HB       ASN 105  -1.519 -16.907  -9.314
  848   1HD2  ASN 105          1HD2      ASN 105  -4.410 -16.244  -8.794
  849   2HD2  ASN 105          2HD2      ASN 105  -5.282 -17.565  -9.485
  850    H    LYS 106           H        LYS 106  -1.517 -12.727  -9.763
  851    HA   LYS 106           HA       LYS 106   0.646 -13.247  -7.833
  852   1HB   LYS 106          2HB       LYS 106   0.922 -12.563 -10.452
  853   2HB   LYS 106          1HB       LYS 106   0.949 -10.978  -9.692
  854   1HG   LYS 106          2HG       LYS 106   3.185 -11.596  -9.783
  855   2HG   LYS 106          1HG       LYS 106   2.714 -11.974  -8.124
  856   1HD   LYS 106          2HD       LYS 106   3.639 -13.978  -8.552
  857   2HD   LYS 106          1HD       LYS 106   2.124 -14.306  -9.396
  858   1HE   LYS 106          2HE       LYS 106   4.040 -14.886 -10.786
  859   2HE   LYS 106          1HE       LYS 106   3.129 -13.552 -11.493
  860   1HZ   LYS 106          1HZ       LYS 106   5.369 -12.952 -11.676
  861   2HZ   LYS 106          2HZ       LYS 106   5.737 -13.447 -10.101
  862   3HZ   LYS 106          3HZ       LYS 106   4.801 -12.060 -10.355
  863    H    VAL 107           H        VAL 107  -2.230 -11.722  -8.078
  864    HA   VAL 107           HA       VAL 107  -1.417  -9.359  -6.539
  865    HB   VAL 107           HB       VAL 107  -4.243  -9.815  -7.394
  866   1HG1  VAL 107          1HG1      VAL 107  -3.578  -7.903  -5.961
  867   2HG1  VAL 107          2HG1      VAL 107  -4.304  -7.416  -7.492
  868   3HG1  VAL 107          3HG1      VAL 107  -2.556  -7.321  -7.275
  869   1HG2  VAL 107          1HG2      VAL 107  -2.334 -10.125  -9.273
  870   2HG2  VAL 107          2HG2      VAL 107  -2.537  -8.374  -9.317
  871   3HG2  VAL 107          3HG2      VAL 107  -3.922  -9.430  -9.595
  872    H    LEU 108           H        LEU 108  -2.035  -9.036  -4.458
  873    HA   LEU 108           HA       LEU 108  -3.692 -11.124  -3.202
  874   1HB   LEU 108          2HB       LEU 108  -1.698  -9.719  -1.529
  875   2HB   LEU 108          1HB       LEU 108  -2.245 -11.384  -1.467
  876    HG   LEU 108           HG       LEU 108  -0.652 -10.730  -3.846
  877   1HD1  LEU 108          1HD1      LEU 108   0.693 -10.792  -1.152
  878   2HD1  LEU 108          2HD1      LEU 108   0.437  -9.330  -2.105
  879   3HD1  LEU 108          3HD1      LEU 108   1.465 -10.619  -2.729
  880   1HD2  LEU 108          1HD2      LEU 108   0.199 -12.850  -2.023
  881   2HD2  LEU 108          2HD2      LEU 108  -0.179 -12.915  -3.745
  882   3HD2  LEU 108          3HD2      LEU 108  -1.477 -12.989  -2.553
  883    H    LYS 109           H        LYS 109  -4.916 -10.466  -1.349
  884    HA   LYS 109           HA       LYS 109  -5.535  -7.588  -1.355
  885   1HB   LYS 109          2HB       LYS 109  -7.408  -9.765  -0.446
  886   2HB   LYS 109          1HB       LYS 109  -7.795  -8.100  -0.857
  887   1HG   LYS 109          2HG       LYS 109  -7.440  -8.512  -3.179
  888   2HG   LYS 109          1HG       LYS 109  -6.785 -10.117  -2.846
  889   1HD   LYS 109          2HD       LYS 109  -9.546  -9.437  -1.934
  890   2HD   LYS 109          1HD       LYS 109  -9.266  -9.837  -3.630
  891   1HE   LYS 109          2HE       LYS 109  -9.137 -11.549  -1.222
  892   2HE   LYS 109          1HE       LYS 109  -9.675 -11.932  -2.857
  893   1HZ   LYS 109          1HZ       LYS 109  -7.693 -13.126  -2.503
  894   2HZ   LYS 109          2HZ       LYS 109  -6.892 -11.787  -1.850
  895   3HZ   LYS 109          3HZ       LYS 109  -7.263 -11.828  -3.499
  896    H    ILE 110           H        ILE 110  -5.815  -6.525   0.595
  897    HA   ILE 110           HA       ILE 110  -4.229  -7.369   2.752
  898    HB   ILE 110           HB       ILE 110  -5.265  -4.994   2.042
  899   1HG1  ILE 110          2HG1      ILE 110  -4.774  -4.723   4.805
  900   2HG1  ILE 110          1HG1      ILE 110  -3.775  -6.067   4.259
  901   1HG2  ILE 110          1HG2      ILE 110  -7.517  -5.445   2.728
  902   2HG2  ILE 110          2HG2      ILE 110  -6.821  -4.256   3.830
  903   3HG2  ILE 110          3HG2      ILE 110  -6.978  -5.940   4.332
  904   1HD1  ILE 110          1HD1      ILE 110  -2.314  -4.456   3.747
  905   2HD1  ILE 110          2HD1      ILE 110  -3.553  -3.202   3.707
  906   3HD1  ILE 110          3HD1      ILE 110  -3.312  -4.248   2.308
  907    H    THR 111           H        THR 111  -7.333  -8.367   1.875
  908    HA   THR 111           HA       THR 111  -8.555  -8.738   4.378
  909    HB   THR 111           HB       THR 111  -9.840  -8.967   2.326
  910    HG1  THR 111           1HG      THR 111 -10.634 -10.120   4.105
  911   1HG2  THR 111          1HG2      THR 111  -7.744 -10.895   1.667
  912   2HG2  THR 111          2HG2      THR 111  -8.823  -9.989   0.606
  913   3HG2  THR 111          3HG2      THR 111  -9.372 -11.493   1.346
  914    H    ASP 112           H        ASP 112  -6.258 -10.696   2.567
  915    HA   ASP 112           HA       ASP 112  -6.363 -12.884   4.447
  916   1HB   ASP 112          2HB       ASP 112  -4.770 -12.285   1.975
  917   2HB   ASP 112          1HB       ASP 112  -4.265 -13.582   3.054
  918    H    PHE 113           H        PHE 113  -4.779  -9.895   4.245
  919    HA   PHE 113           HA       PHE 113  -2.674 -10.760   6.111
  920   1HB   PHE 113          2HB       PHE 113  -2.879  -8.324   4.332
  921   2HB   PHE 113          1HB       PHE 113  -1.622  -8.537   5.546
  922    HD1  PHE 113           1HD      PHE 113  -0.273 -10.782   5.360
  923    HD2  PHE 113           2HD      PHE 113  -2.470  -9.003   2.179
  924    HE1  PHE 113           1HE      PHE 113   1.093 -12.018   3.729
  925    HE2  PHE 113           2HE      PHE 113  -1.108 -10.238   0.542
  926    HZ   PHE 113           HZ       PHE 113   0.677 -11.747   1.318
  927    H    SER 114           H        SER 114  -5.673  -9.414   6.061
  928    HA   SER 114           HA       SER 114  -5.435  -8.445   8.756
  929   1HB   SER 114          2HB       SER 114  -6.273  -6.544   6.555
  930   2HB   SER 114          1HB       SER 114  -6.357  -6.205   8.284
  931    HG   SER 114           HG       SER 114  -4.364  -5.595   8.136
  932    HA   PRO 115           HA       PRO 115  -9.491 -10.421   7.440
  933   1HB   PRO 115          2HB       PRO 115  -9.523 -12.305   9.404
  934   2HB   PRO 115          1HB       PRO 115  -8.756 -12.557   7.832
  935   1HG   PRO 115          2HG       PRO 115  -7.511 -11.788  10.443
  936   2HG   PRO 115          1HG       PRO 115  -6.950 -12.964   9.240
  937   1HD   PRO 115          2HD       PRO 115  -5.901 -10.486   9.417
  938   2HD   PRO 115          1HD       PRO 115  -6.071 -11.330   7.865
  939    H    SER 116           H        SER 116  -8.356 -10.098  10.809
  940    HA   SER 116           HA       SER 116 -10.936  -9.548  11.853
  941   1HB   SER 116          2HB       SER 116  -9.698  -8.901  13.917
  942   2HB   SER 116          1HB       SER 116  -9.211 -10.474  13.283
  943    HG   SER 116           HG       SER 116  -7.351  -9.374  13.735
  944    H    LEU 117           H        LEU 117  -9.010  -7.673   9.923
  945    HA   LEU 117           HA       LEU 117  -9.553  -5.132  11.203
  946   1HB   LEU 117          2HB       LEU 117  -7.461  -5.684   9.884
  947   2HB   LEU 117          1HB       LEU 117  -8.449  -5.600   8.439
  948    HG   LEU 117           HG       LEU 117  -8.995  -3.235   9.004
  949   1HD1  LEU 117          1HD1      LEU 117  -6.942  -3.669  11.168
  950   2HD1  LEU 117          2HD1      LEU 117  -8.649  -3.284  11.391
  951   3HD1  LEU 117          3HD1      LEU 117  -7.565  -2.098  10.664
  952   1HD2  LEU 117          1HD2      LEU 117  -7.374  -2.971   7.501
  953   2HD2  LEU 117          2HD2      LEU 117  -6.443  -4.316   8.156
  954   3HD2  LEU 117          3HD2      LEU 117  -6.283  -2.708   8.860
  955    H    ASN 118           H        ASN 118 -10.506  -6.769   8.193
  956    HA   ASN 118           HA       ASN 118 -12.125  -6.250   6.644
  957   1HB   ASN 118          2HB       ASN 118 -13.195  -7.477   8.659
  958   2HB   ASN 118          1HB       ASN 118 -13.920  -5.917   9.031
  959   1HD2  ASN 118          1HD2      ASN 118 -13.273  -7.352   5.873
  960   2HD2  ASN 118          2HD2      ASN 118 -14.925  -7.418   5.368
  961    H    TYR 119           H        TYR 119 -11.245  -4.178   6.001
  962    HA   TYR 119           HA       TYR 119 -12.750  -1.881   7.056
  963   1HB   TYR 119          2HB       TYR 119 -10.960  -0.478   6.514
  964   2HB   TYR 119          1HB       TYR 119 -10.183  -1.927   7.132
  965    HD1  TYR 119           1HD      TYR 119  -9.416   0.449   5.078
  966    HD2  TYR 119           2HD      TYR 119 -10.284  -3.704   4.740
  967    HE1  TYR 119           1HE      TYR 119  -8.066   0.341   3.033
  968    HE2  TYR 119           2HE      TYR 119  -8.924  -3.823   2.685
  969    HH   TYR 119           HH       TYR 119  -7.088  -2.585   1.627
  970    H    ASP 120           H        ASP 120 -12.556  -0.057   5.072
  971    HA   ASP 120           HA       ASP 120 -13.734  -1.364   2.713
  972   1HB   ASP 120          2HB       ASP 120 -14.881   0.802   4.421
  973   2HB   ASP 120          1HB       ASP 120 -15.221   0.817   2.693
  974    H    GLU 121           H        GLU 121 -11.845  -1.070   1.540
  975    HA   GLU 121           HA       GLU 121 -10.164   0.021   0.418
  976   1HB   GLU 121          2HB       GLU 121 -12.524   1.715  -0.397
  977   2HB   GLU 121          1HB       GLU 121 -11.046   1.466  -1.315
  978   1HG   GLU 121          2HG       GLU 121 -11.784  -0.445  -2.182
  979   2HG   GLU 121          1HG       GLU 121 -12.369  -1.026  -0.624
  980    H    VAL 122           H        VAL 122  -8.807   0.970   1.879
  981    HA   VAL 122           HA       VAL 122  -7.646   2.655   2.871
  982    HB   VAL 122           HB       VAL 122  -9.421   4.314   1.088
  983   1HG1  VAL 122          1HG1      VAL 122  -8.928   5.763   2.899
  984   2HG1  VAL 122          2HG1      VAL 122  -7.820   6.183   1.593
  985   3HG1  VAL 122          3HG1      VAL 122  -7.250   5.224   2.959
  986   1HG2  VAL 122          1HG2      VAL 122  -6.461   3.766   0.955
  987   2HG2  VAL 122          2HG2      VAL 122  -7.456   4.573  -0.258
  988   3HG2  VAL 122          3HG2      VAL 122  -7.682   2.855   0.067
  989    HA   PRO 123           HA       PRO 123 -10.153   3.554   6.442
  990   1HB   PRO 123          2HB       PRO 123  -8.351   4.947   7.893
  991   2HB   PRO 123          1HB       PRO 123  -8.220   3.204   7.642
  992   1HG   PRO 123          2HG       PRO 123  -6.793   5.431   6.243
  993   2HG   PRO 123          1HG       PRO 123  -6.150   3.889   6.837
  994   1HD   PRO 123          2HD       PRO 123  -6.786   4.331   4.229
  995   2HD   PRO 123          1HD       PRO 123  -6.879   2.733   4.993
  996    H    ASP 124           H        ASP 124  -9.318   6.053   7.912
  997    HA   ASP 124           HA       ASP 124  -9.882   8.249   8.089
  998   1HB   ASP 124          2HB       ASP 124  -9.068   9.418   6.391
  999   2HB   ASP 124          1HB       ASP 124  -9.055   7.964   5.395
 1000    HA   PRO 125           HA       PRO 125 -14.213   8.480   8.613
 1001   1HB   PRO 125          2HB       PRO 125 -14.018  11.246   7.512
 1002   2HB   PRO 125          1HB       PRO 125 -14.785  10.680   9.000
 1003   1HG   PRO 125          2HG       PRO 125 -12.437  11.898   9.105
 1004   2HG   PRO 125          1HG       PRO 125 -12.755  10.480  10.122
 1005   1HD   PRO 125          2HD       PRO 125 -11.135  10.695   7.623
 1006   2HD   PRO 125          1HD       PRO 125 -10.849   9.710   9.072
 1007    H    TRP 126           H        TRP 126 -13.103   9.929   5.547
 1008    HA   TRP 126           HA       TRP 126 -15.500   9.964   4.177
 1009   1HB   TRP 126          2HB       TRP 126 -13.529  10.985   3.236
 1010   2HB   TRP 126          1HB       TRP 126 -12.718   9.426   3.127
 1011    HD1  TRP 126           HD       TRP 126 -12.730   8.449   0.770
 1012    HE1  TRP 126           1HE      TRP 126 -14.235   8.640  -1.308
 1013    HE3  TRP 126           3HE      TRP 126 -16.355  11.516   2.667
 1014    HZ2  TRP 126           2HZ      TRP 126 -16.639   9.918  -2.046
 1015    HZ3  TRP 126           3HZ      TRP 126 -18.223  12.176   1.208
 1016    HH2  TRP 126           HH       TRP 126 -18.360  11.393  -1.100
 1017    H    TYR 127           H        TYR 127 -13.568   7.231   5.057
 1018    HA   TYR 127           HA       TYR 127 -15.227   5.499   3.353
 1019   1HB   TYR 127          2HB       TYR 127 -12.489   5.095   4.546
 1020   2HB   TYR 127          1HB       TYR 127 -13.421   3.777   3.844
 1021    HD1  TYR 127           1HD      TYR 127 -11.077   6.346   3.188
 1022    HD2  TYR 127           2HD      TYR 127 -14.237   4.134   1.397
 1023    HE1  TYR 127           1HE      TYR 127 -10.212   6.937   0.967
 1024    HE2  TYR 127           2HE      TYR 127 -13.380   4.707  -0.834
 1025    HH   TYR 127           HH       TYR 127 -11.650   7.018  -1.604
 1026    H    SER 128           H        SER 128 -13.584   5.290   6.525
 1027    HA   SER 128           HA       SER 128 -15.595   3.418   7.451
 1028   1HB   SER 128          2HB       SER 128 -13.936   4.128   9.606
 1029   2HB   SER 128          1HB       SER 128 -13.835   2.673   8.615
 1030    HG   SER 128           HG       SER 128 -11.875   3.927   8.686
 1031    H    GLY 129           H        GLY 129 -14.313   6.527   8.660
 1032   1HA   GLY 129          2HA       GLY 129 -16.237   8.177   9.035
 1033   2HA   GLY 129          1HA       GLY 129 -16.872   6.907  10.070
 1034    H    ASN 130           H        ASN 130 -13.649   6.640  10.440
 1035    HA   ASN 130           HA       ASN 130 -13.543   8.662  12.579
 1036   1HB   ASN 130          2HB       ASN 130 -13.863   6.072  13.150
 1037   2HB   ASN 130          1HB       ASN 130 -12.110   6.086  12.976
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.177   8.207  14.073
 1039   2HD2  ASN 130          2HD2      ASN 130 -11.686   8.413  15.713
 1040    H    PHE 131           H        PHE 131 -11.454   9.402  13.172
 1041    HA   PHE 131           HA       PHE 131  -9.624   9.531  10.930
 1042   1HB   PHE 131          2HB       PHE 131  -9.207  10.810  13.627
 1043   2HB   PHE 131          1HB       PHE 131  -8.580  11.327  12.067
 1044    HD1  PHE 131           1HD      PHE 131  -9.807  12.788  10.678
 1045    HD2  PHE 131           2HD      PHE 131 -11.629  11.111  14.141
 1046    HE1  PHE 131           1HE      PHE 131 -11.695  14.349  10.437
 1047    HE2  PHE 131           2HE      PHE 131 -13.521  12.667  13.903
 1048    HZ   PHE 131           HZ       PHE 131 -13.554  14.288  12.050
 1049    H    ASP 132           H        ASP 132  -9.921   7.868  13.926
 1050    HA   ASP 132           HA       ASP 132  -7.169   7.271  14.350
 1051   1HB   ASP 132          2HB       ASP 132  -9.715   6.634  15.611
 1052   2HB   ASP 132          1HB       ASP 132  -8.622   5.253  15.595
 1053    H    GLU 133           H        GLU 133  -9.599   5.982  12.284
 1054    HA   GLU 133           HA       GLU 133  -8.797   3.339  12.000
 1055   1HB   GLU 133          2HB       GLU 133  -9.679   5.030   9.672
 1056   2HB   GLU 133          1HB       GLU 133  -9.945   3.313   9.930
 1057   1HG   GLU 133          2HG       GLU 133 -11.104   5.270  11.849
 1058   2HG   GLU 133          1HG       GLU 133 -11.864   5.031  10.277
 1059    H    THR 134           H        THR 134  -7.674   6.217  10.250
 1060    HA   THR 134           HA       THR 134  -5.924   5.113   8.464
 1061    HB   THR 134           HB       THR 134  -4.673   7.182   8.501
 1062    HG1  THR 134           1HG      THR 134  -5.747   8.636  10.364
 1063   1HG2  THR 134          1HG2      THR 134  -6.567   7.705   7.356
 1064   2HG2  THR 134          2HG2      THR 134  -6.813   8.779   8.733
 1065   3HG2  THR 134          3HG2      THR 134  -7.629   7.217   8.677
 1066    H    TYR 135           H        TYR 135  -5.460   5.563  11.921
 1067    HA   TYR 135           HA       TYR 135  -2.690   4.887  11.931
 1068   1HB   TYR 135          2HB       TYR 135  -4.111   6.112  13.744
 1069   2HB   TYR 135          1HB       TYR 135  -4.489   4.488  14.301
 1070    HD1  TYR 135           1HD      TYR 135  -1.227   5.532  12.885
 1071    HD2  TYR 135           2HD      TYR 135  -3.410   4.583  16.412
 1072    HE1  TYR 135           1HE      TYR 135   0.871   5.494  14.166
 1073    HE2  TYR 135           2HE      TYR 135  -1.318   4.544  17.703
 1074    HH   TYR 135           HH       TYR 135   1.040   5.665  17.422
 1075    H    LYS 136           H        LYS 136  -5.590   3.089  12.961
 1076    HA   LYS 136           HA       LYS 136  -4.354   0.667  13.519
 1077   1HB   LYS 136          2HB       LYS 136  -7.127   1.429  12.695
 1078   2HB   LYS 136          1HB       LYS 136  -6.697  -0.273  12.801
 1079   1HG   LYS 136          2HG       LYS 136  -5.891   1.280  15.134
 1080   2HG   LYS 136          1HG       LYS 136  -7.634   1.262  14.854
 1081   1HD   LYS 136          2HD       LYS 136  -6.434  -1.359  14.501
 1082   2HD   LYS 136          1HD       LYS 136  -6.148  -0.707  16.115
 1083   1HE   LYS 136          2HE       LYS 136  -8.865  -0.763  14.821
 1084   2HE   LYS 136          1HE       LYS 136  -8.253  -2.074  15.829
 1085   1HZ   LYS 136          1HZ       LYS 136  -8.492   0.743  16.730
 1086   2HZ   LYS 136          2HZ       LYS 136  -8.093  -0.597  17.681
 1087   3HZ   LYS 136          3HZ       LYS 136  -9.650  -0.452  17.036
 1088    H    ILE 137           H        ILE 137  -5.940   1.621  10.472
 1089    HA   ILE 137           HA       ILE 137  -5.322  -0.726   9.070
 1090    HB   ILE 137           HB       ILE 137  -5.604   1.909   7.678
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.286   1.755   9.544
 1092   2HG1  ILE 137          1HG1      ILE 137  -7.981   1.876   7.934
 1093   1HG2  ILE 137          1HG2      ILE 137  -5.558   0.491   5.958
 1094   2HG2  ILE 137          2HG2      ILE 137  -7.193   0.042   6.444
 1095   3HG2  ILE 137          3HG2      ILE 137  -5.817  -0.912   6.995
 1096   1HD1  ILE 137          1HD1      ILE 137  -7.596  -0.803   9.184
 1097   2HD1  ILE 137          2HD1      ILE 137  -8.766  -0.283   7.971
 1098   3HD1  ILE 137          3HD1      ILE 137  -8.961   0.212   9.653
 1099    H    LEU 138           H        LEU 138  -3.810   2.497   8.538
 1100    HA   LEU 138           HA       LEU 138  -1.790   1.621   6.877
 1101   1HB   LEU 138          2HB       LEU 138  -1.972   3.944   8.757
 1102   2HB   LEU 138          1HB       LEU 138  -0.520   3.663   7.814
 1103    HG   LEU 138           HG       LEU 138  -3.166   3.783   6.426
 1104   1HD1  LEU 138          1HD1      LEU 138  -2.756   6.232   6.109
 1105   2HD1  LEU 138          2HD1      LEU 138  -1.557   6.134   7.399
 1106   3HD1  LEU 138          3HD1      LEU 138  -3.249   5.767   7.736
 1107   1HD2  LEU 138          1HD2      LEU 138  -1.363   5.032   4.863
 1108   2HD2  LEU 138          2HD2      LEU 138  -1.664   3.296   4.818
 1109   3HD2  LEU 138          3HD2      LEU 138  -0.304   3.930   5.744
 1110    H    SER 139           H        SER 139  -1.421   2.226  10.387
 1111    HA   SER 139           HA       SER 139   1.206   1.387  10.606
 1112   1HB   SER 139          2HB       SER 139  -0.278   2.517  12.364
 1113   2HB   SER 139          1HB       SER 139  -0.807   0.888  12.788
 1114    HG   SER 139           HG       SER 139   0.917   1.338  14.083
 1115    H    LEU 140           H        LEU 140  -1.672  -0.614  11.342
 1116    HA   LEU 140           HA       LEU 140  -0.224  -2.974  11.807
 1117   1HB   LEU 140          2HB       LEU 140  -2.499  -2.697  12.583
 1118   2HB   LEU 140          1HB       LEU 140  -3.085  -2.593  10.934
 1119    HG   LEU 140           HG       LEU 140  -1.948  -5.011  10.801
 1120   1HD1  LEU 140          1HD1      LEU 140  -1.144  -5.050  13.070
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.440  -6.232  12.894
 1122   3HD1  LEU 140          3HD1      LEU 140  -2.756  -4.689  13.687
 1123   1HD2  LEU 140          1HD2      LEU 140  -4.058  -5.507  10.334
 1124   2HD2  LEU 140          2HD2      LEU 140  -4.556  -3.959  11.018
 1125   3HD2  LEU 140          3HD2      LEU 140  -4.490  -5.394  12.041
 1126    H    ALA 141           H        ALA 141  -2.113  -2.089   8.908
 1127    HA   ALA 141           HA       ALA 141  -1.482  -4.292   7.363
 1128   1HB   ALA 141          1HB       ALA 141  -3.197  -2.556   6.840
 1129   2HB   ALA 141          2HB       ALA 141  -2.210  -3.054   5.466
 1130   3HB   ALA 141          3HB       ALA 141  -1.889  -1.519   6.272
 1131    H    CYS 142           H        CYS 142   0.273  -1.190   7.539
 1132    HA   CYS 142           HA       CYS 142   2.167  -1.751   5.560
 1133   1HB   CYS 142          2HB       CYS 142   1.909   0.491   6.418
 1134   2HB   CYS 142          1HB       CYS 142   2.392  -0.023   8.030
 1135    HG   CYS 142           HG       CYS 142   4.795  -0.828   5.971
 1136    H    LYS 143           H        LYS 143   2.372  -2.272   9.081
 1137    HA   LYS 143           HA       LYS 143   4.963  -3.339   9.105
 1138   1HB   LYS 143          2HB       LYS 143   2.639  -3.763  10.985
 1139   2HB   LYS 143          1HB       LYS 143   4.266  -4.352  11.299
 1140   1HG   LYS 143          2HG       LYS 143   4.303  -1.553  10.620
 1141   2HG   LYS 143          1HG       LYS 143   3.212  -1.867  11.971
 1142   1HD   LYS 143          2HD       LYS 143   5.030  -3.099  13.105
 1143   2HD   LYS 143          1HD       LYS 143   6.112  -2.679  11.775
 1144   1HE   LYS 143          2HE       LYS 143   6.597  -1.049  13.346
 1145   2HE   LYS 143          1HE       LYS 143   5.422  -0.241  12.308
 1146   1HZ   LYS 143          1HZ       LYS 143   4.771  -1.586  14.874
 1147   2HZ   LYS 143          2HZ       LYS 143   3.700  -0.709  13.902
 1148   3HZ   LYS 143          3HZ       LYS 143   4.974   0.083  14.682
 1149    H    ASN 144           H        ASN 144   1.876  -5.136   9.348
 1150    HA   ASN 144           HA       ASN 144   2.934  -7.690   9.163
 1151   1HB   ASN 144          2HB       ASN 144   0.396  -6.611   9.330
 1152   2HB   ASN 144          1HB       ASN 144   0.379  -7.421   7.766
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.074  -8.971   8.493
 1154   2HD2  ASN 144          2HD2      ASN 144  -0.602 -10.241   9.565
 1155    H    LEU 145           H        LEU 145   1.721  -5.637   6.523
 1156    HA   LEU 145           HA       LEU 145   2.272  -7.430   4.430
 1157   1HB   LEU 145          2HB       LEU 145   0.847  -5.719   3.818
 1158   2HB   LEU 145          1HB       LEU 145   1.789  -4.495   4.644
 1159    HG   LEU 145           HG       LEU 145   3.172  -5.709   2.361
 1160   1HD1  LEU 145          1HD1      LEU 145   1.347  -5.728   1.038
 1161   2HD1  LEU 145          2HD1      LEU 145   1.650  -3.993   0.955
 1162   3HD1  LEU 145          3HD1      LEU 145   0.448  -4.625   2.080
 1163   1HD2  LEU 145          1HD2      LEU 145   2.748  -2.868   2.265
 1164   2HD2  LEU 145          2HD2      LEU 145   4.249  -3.769   2.483
 1165   3HD2  LEU 145          3HD2      LEU 145   3.254  -3.359   3.881
 1166    H    LEU 146           H        LEU 146   4.258  -5.157   6.163
 1167    HA   LEU 146           HA       LEU 146   6.425  -5.048   4.349
 1168   1HB   LEU 146          2HB       LEU 146   6.186  -3.361   6.032
 1169   2HB   LEU 146          1HB       LEU 146   6.213  -4.550   7.314
 1170    HG   LEU 146           HG       LEU 146   8.297  -3.053   6.857
 1171   1HD1  LEU 146          1HD1      LEU 146   8.082  -4.917   8.485
 1172   2HD1  LEU 146          2HD1      LEU 146   9.706  -4.714   7.825
 1173   3HD1  LEU 146          3HD1      LEU 146   8.670  -6.014   7.234
 1174   1HD2  LEU 146          1HD2      LEU 146   8.971  -5.307   4.990
 1175   2HD2  LEU 146          2HD2      LEU 146   9.863  -3.813   5.287
 1176   3HD2  LEU 146          3HD2      LEU 146   8.331  -3.768   4.413
 1177    H    VAL 147           H        VAL 147   6.010  -6.897   7.369
 1178    HA   VAL 147           HA       VAL 147   8.367  -8.348   7.288
 1179    HB   VAL 147           HB       VAL 147   5.738  -9.429   8.304
 1180   1HG1  VAL 147          1HG1      VAL 147   7.343 -11.134   8.406
 1181   2HG1  VAL 147          2HG1      VAL 147   7.332 -10.439  10.026
 1182   3HG1  VAL 147          3HG1      VAL 147   8.621 -10.023   8.896
 1183   1HG2  VAL 147          1HG2      VAL 147   5.694  -7.914   9.930
 1184   2HG2  VAL 147          2HG2      VAL 147   6.947  -7.033   9.057
 1185   3HG2  VAL 147          3HG2      VAL 147   7.393  -8.189  10.312
 1186    H    PHE 148           H        PHE 148   5.201  -9.244   5.933
 1187    HA   PHE 148           HA       PHE 148   5.985 -11.761   4.948
 1188   1HB   PHE 148          2HB       PHE 148   3.619 -10.799   5.289
 1189   2HB   PHE 148          1HB       PHE 148   3.826 -10.091   3.690
 1190    HD1  PHE 148           1HD      PHE 148   4.078 -11.545   1.716
 1191    HD2  PHE 148           2HD      PHE 148   3.205 -13.122   5.571
 1192    HE1  PHE 148           1HE      PHE 148   3.356 -13.660   0.683
 1193    HE2  PHE 148           2HE      PHE 148   2.482 -15.240   4.546
 1194    HZ   PHE 148           HZ       PHE 148   2.558 -15.510   2.099
 1195    H    LEU 149           H        LEU 149   5.525  -8.701   3.162
 1196    HA   LEU 149           HA       LEU 149   6.485  -9.725   0.715
 1197   1HB   LEU 149          2HB       LEU 149   6.328  -6.860   1.644
 1198   2HB   LEU 149          1HB       LEU 149   6.549  -7.376  -0.017
 1199    HG   LEU 149           HG       LEU 149   4.099  -7.803   1.692
 1200   1HD1  LEU 149          1HD1      LEU 149   4.059  -5.607   0.922
 1201   2HD1  LEU 149          2HD1      LEU 149   3.106  -6.490  -0.271
 1202   3HD1  LEU 149          3HD1      LEU 149   4.772  -6.039  -0.631
 1203   1HD2  LEU 149          1HD2      LEU 149   3.096  -8.924  -0.171
 1204   2HD2  LEU 149          2HD2      LEU 149   4.607  -9.747   0.213
 1205   3HD2  LEU 149          3HD2      LEU 149   4.525  -8.655  -1.169
 1206    H    SER 150           H        SER 150   8.178  -8.859   3.517
 1207    HA   SER 150           HA       SER 150  10.645  -8.395   1.985
 1208   1HB   SER 150          2HB       SER 150  10.240  -6.629   3.577
 1209   2HB   SER 150          1HB       SER 150   9.985  -7.795   4.875
 1210    HG   SER 150           HG       SER 150  12.093  -6.884   4.908
 1211    H    LYS 151           H        LYS 151  10.417  -9.600   5.286
 1212    HA   LYS 151           HA       LYS 151  11.252 -12.265   4.461
 1213   1HB   LYS 151          2HB       LYS 151  12.957 -10.373   6.064
 1214   2HB   LYS 151          1HB       LYS 151  13.135 -12.115   6.219
 1215   1HG   LYS 151          2HG       LYS 151  14.554 -12.022   4.521
 1216   2HG   LYS 151          1HG       LYS 151  13.174 -11.658   3.481
 1217   1HD   LYS 151          2HD       LYS 151  13.870  -9.563   3.161
 1218   2HD   LYS 151          1HD       LYS 151  14.089  -9.303   4.892
 1219   1HE   LYS 151          2HE       LYS 151  16.294 -10.044   4.851
 1220   2HE   LYS 151          1HE       LYS 151  16.077 -10.901   3.326
 1221   1HZ   LYS 151          1HZ       LYS 151  15.855  -8.737   2.221
 1222   2HZ   LYS 151          2HZ       LYS 151  17.359  -8.915   2.974
 1223   3HZ   LYS 151          3HZ       LYS 151  16.165  -7.955   3.690
 1224    H    HIS 152           H        HIS 152   9.224 -12.875   5.330
 1225    HA   HIS 152           HA       HIS 152   8.392 -12.282   7.959
 1226   1HB   HIS 152          2HB       HIS 152   6.989 -14.456   7.581
 1227   2HB   HIS 152          1HB       HIS 152   6.653 -13.022   6.617
 1228    HD1  HIS 152           1HD      HIS 152   7.582 -13.056   4.128
 1229    HD2  HIS 152           2HD      HIS 152   7.735 -16.680   6.154
 1230    HE1  HIS 152           1HE      HIS 152   7.936 -14.803   2.353
 1231    HE2  HIS 152           2HE      HIS 152   7.926 -16.996   3.595
 1232    H    HIS 153           H        HIS 153   8.673 -13.293   9.878
 1233    HA   HIS 153           HA       HIS 153   9.599 -14.596  11.487
 1234   1HB   HIS 153          2HB       HIS 153   8.870 -16.383   9.413
 1235   2HB   HIS 153          1HB       HIS 153  10.450 -16.894   9.997
 1236    HD1  HIS 153           1HD      HIS 153  10.593 -17.498  12.581
 1237    HD2  HIS 153           2HD      HIS 153   6.759 -16.969  11.072
 1238    HE1  HIS 153           1HE      HIS 153   9.053 -18.509  14.291
 1239    HE2  HIS 153           2HE      HIS 153   6.734 -18.080  13.407
 1240    H    HIS 154           H        HIS 154  11.465 -13.894  12.263
 1241    HA   HIS 154           HA       HIS 154  13.943 -14.716  10.978
 1242   1HB   HIS 154          2HB       HIS 154  14.759 -12.247  11.475
 1243   2HB   HIS 154          1HB       HIS 154  13.986 -12.660   9.948
 1244    HD1  HIS 154           1HD      HIS 154  12.893 -11.344  13.356
 1245    HD2  HIS 154           2HD      HIS 154  11.987 -10.961   9.319
 1246    HE1  HIS 154           1HE      HIS 154  11.105  -9.581  13.233
 1247    HE2  HIS 154           2HE      HIS 154  10.523  -9.415  10.788
 1248    H    HIS 155           H        HIS 155  12.499 -12.869  13.647
 1249    HA   HIS 155           HA       HIS 155  14.315 -14.257  15.492
 1250   1HB   HIS 155          2HB       HIS 155  14.829 -11.720  14.861
 1251   2HB   HIS 155          1HB       HIS 155  13.601 -11.424  16.086
 1252    HD1  HIS 155           1HD      HIS 155  16.809 -10.885  16.194
 1253    HD2  HIS 155           2HD      HIS 155  14.647 -13.830  18.172
 1254    HE1  HIS 155           1HE      HIS 155  18.205 -11.520  18.185
 1255    HE2  HIS 155           2HE      HIS 155  16.907 -13.348  19.333
 1256    H    HIS 156           H        HIS 156  13.376 -14.996  17.319
 1257    HA   HIS 156           HA       HIS 156  10.682 -14.037  17.991
 1258   1HB   HIS 156          2HB       HIS 156  11.128 -16.472  16.779
 1259   2HB   HIS 156          1HB       HIS 156  11.080 -16.898  18.487
 1260    HD1  HIS 156           1HD      HIS 156   8.928 -14.075  18.059
 1261    HD2  HIS 156           2HD      HIS 156   8.595 -18.156  17.352
 1262    HE1  HIS 156           1HE      HIS 156   6.460 -14.533  17.916
 1263    HE2  HIS 156           2HE      HIS 156   6.284 -16.998  17.427
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  17.435 -10.086  -8.130
    2   2H    MET   1          2HT       MET   1  16.788  -9.627  -6.636
    3   3H    MET   1          3HT       MET   1  17.980  -8.676  -7.370
    4    HA   MET   1           HA       MET   1  16.343  -7.443  -8.174
    5   1HB   MET   1          2HB       MET   1  16.235  -9.970  -9.782
    6   2HB   MET   1          1HB       MET   1  15.099  -8.673 -10.128
    7   1HG   MET   1          2HG       MET   1  16.782  -7.208 -10.788
    8   2HG   MET   1          1HG       MET   1  18.043  -8.154  -9.999
    9   1HE   MET   1          1HE       MET   1  16.960  -7.539 -13.877
   10   2HE   MET   1          2HE       MET   1  15.684  -7.562 -12.659
   11   3HE   MET   1          3HE       MET   1  15.808  -8.874 -13.831
   12    H    LYS   2           H        LYS   2  14.907  -7.039  -6.545
   13    HA   LYS   2           HA       LYS   2  12.553  -8.807  -6.392
   14   1HB   LYS   2          2HB       LYS   2  14.194  -8.452  -4.346
   15   2HB   LYS   2          1HB       LYS   2  13.260  -6.975  -4.144
   16   1HG   LYS   2          2HG       LYS   2  12.074  -8.390  -2.811
   17   2HG   LYS   2          1HG       LYS   2  11.225  -8.627  -4.340
   18   1HD   LYS   2          2HD       LYS   2  13.323 -10.441  -4.430
   19   2HD   LYS   2          1HD       LYS   2  12.760 -10.511  -2.760
   20   1HE   LYS   2          2HE       LYS   2  10.866 -10.648  -5.088
   21   2HE   LYS   2          1HE       LYS   2  11.664 -12.085  -4.450
   22   1HZ   LYS   2          1HZ       LYS   2   9.819 -12.133  -3.176
   23   2HZ   LYS   2          2HZ       LYS   2   9.543 -10.469  -3.285
   24   3HZ   LYS   2          3HZ       LYS   2  10.705 -11.064  -2.210
   25    H    LYS   3           H        LYS   3  10.750  -7.930  -7.151
   26    HA   LYS   3           HA       LYS   3  10.391  -5.016  -6.923
   27   1HB   LYS   3          2HB       LYS   3   9.055  -6.243  -9.223
   28   2HB   LYS   3          1HB       LYS   3   9.958  -4.742  -9.124
   29   1HG   LYS   3          2HG       LYS   3  11.682  -5.681 -10.141
   30   2HG   LYS   3          1HG       LYS   3  11.767  -6.942  -8.908
   31   1HD   LYS   3          2HD       LYS   3   9.608  -7.744 -10.354
   32   2HD   LYS   3          1HD       LYS   3  10.616  -7.010 -11.607
   33   1HE   LYS   3          2HE       LYS   3  12.402  -8.496 -10.111
   34   2HE   LYS   3          1HE       LYS   3  10.960  -9.510 -10.164
   35   1HZ   LYS   3          1HZ       LYS   3  12.864  -9.118 -12.166
   36   2HZ   LYS   3          2HZ       LYS   3  11.412  -8.451 -12.721
   37   3HZ   LYS   3          3HZ       LYS   3  11.465 -10.069 -12.230
   38    H    ILE   4           H        ILE   4   8.624  -4.499  -5.834
   39    HA   ILE   4           HA       ILE   4   6.338  -6.355  -5.907
   40    HB   ILE   4           HB       ILE   4   7.312  -4.815  -3.497
   41   1HG1  ILE   4          2HG1      ILE   4   7.124  -7.489  -2.840
   42   2HG1  ILE   4          1HG1      ILE   4   7.727  -7.528  -4.494
   43   1HG2  ILE   4          1HG2      ILE   4   4.941  -4.818  -3.418
   44   2HG2  ILE   4          2HG2      ILE   4   5.481  -6.101  -2.334
   45   3HG2  ILE   4          3HG2      ILE   4   4.859  -6.502  -3.935
   46   1HD1  ILE   4          1HD1      ILE   4   9.388  -7.465  -2.509
   47   2HD1  ILE   4          2HD1      ILE   4   9.020  -5.740  -2.493
   48   3HD1  ILE   4          3HD1      ILE   4   9.697  -6.484  -3.942
   49    H    LEU   5           H        LEU   5   4.940  -5.317  -7.192
   50    HA   LEU   5           HA       LEU   5   4.673  -2.441  -7.091
   51   1HB   LEU   5          2HB       LEU   5   4.310  -4.285  -9.066
   52   2HB   LEU   5          1HB       LEU   5   2.656  -3.960  -8.586
   53    HG   LEU   5           HG       LEU   5   4.609  -1.791  -9.344
   54   1HD1  LEU   5          1HD1      LEU   5   3.715  -3.678 -11.082
   55   2HD1  LEU   5          2HD1      LEU   5   4.135  -2.022 -11.521
   56   3HD1  LEU   5          3HD1      LEU   5   2.453  -2.454 -11.212
   57   1HD2  LEU   5          1HD2      LEU   5   2.342  -0.637  -9.780
   58   2HD2  LEU   5          2HD2      LEU   5   2.903  -0.803  -8.116
   59   3HD2  LEU   5          3HD2      LEU   5   1.677  -1.903  -8.747
   60    H    PHE   6           H        PHE   6   3.419  -1.409  -5.729
   61    HA   PHE   6           HA       PHE   6   1.311  -2.809  -4.282
   62   1HB   PHE   6          2HB       PHE   6   2.750  -0.197  -3.962
   63   2HB   PHE   6          1HB       PHE   6   1.181  -0.407  -3.200
   64    HD1  PHE   6           1HD      PHE   6   3.428  -3.301  -3.482
   65    HD2  PHE   6           2HD      PHE   6   2.177  -0.047  -1.025
   66    HE1  PHE   6           1HE      PHE   6   4.507  -4.346  -1.544
   67    HE2  PHE   6           2HE      PHE   6   3.261  -1.097   0.916
   68    HZ   PHE   6           HZ       PHE   6   4.427  -3.250   0.658
   69    H    ILE   7           H        ILE   7  -0.873  -2.341  -4.500
   70    HA   ILE   7           HA       ILE   7  -1.584  -0.284  -6.487
   71    HB   ILE   7           HB       ILE   7  -2.968  -2.955  -6.268
   72   1HG1  ILE   7          2HG1      ILE   7  -1.225  -2.149  -8.576
   73   2HG1  ILE   7          1HG1      ILE   7  -0.502  -2.877  -7.144
   74   1HG2  ILE   7          1HG2      ILE   7  -3.127  -1.075  -8.586
   75   2HG2  ILE   7          2HG2      ILE   7  -4.121  -0.804  -7.155
   76   3HG2  ILE   7          3HG2      ILE   7  -4.274  -2.310  -8.060
   77   1HD1  ILE   7          1HD1      ILE   7  -2.470  -4.078  -9.057
   78   2HD1  ILE   7          2HD1      ILE   7  -2.171  -4.764  -7.460
   79   3HD1  ILE   7          3HD1      ILE   7  -0.856  -4.645  -8.627
   80    H    CYS   8           H        CYS   8  -2.621   1.249  -5.382
   81    HA   CYS   8           HA       CYS   8  -4.624   0.425  -3.389
   82   1HB   CYS   8          2HB       CYS   8  -2.933   2.910  -3.591
   83   2HB   CYS   8          1HB       CYS   8  -4.348   2.816  -2.548
   84    HG   CYS   8           HG       CYS   8  -2.410   2.409  -0.755
   85    H    LEU   9           H        LEU   9  -6.685   0.770  -3.864
   86    HA   LEU   9           HA       LEU   9  -7.568   1.808  -6.296
   87   1HB   LEU   9          2HB       LEU   9  -8.816   0.297  -4.674
   88   2HB   LEU   9          1HB       LEU   9  -9.201   1.743  -3.762
   89    HG   LEU   9           HG       LEU   9 -10.931   0.777  -5.448
   90   1HD1  LEU   9          1HD1      LEU   9 -10.620   3.181  -4.257
   91   2HD1  LEU   9          2HD1      LEU   9 -11.994   2.745  -5.274
   92   3HD1  LEU   9          3HD1      LEU   9 -10.646   3.655  -5.956
   93   1HD2  LEU   9          1HD2      LEU   9  -9.074   2.280  -7.284
   94   2HD2  LEU   9          2HD2      LEU   9 -10.736   1.852  -7.688
   95   3HD2  LEU   9          3HD2      LEU   9  -9.547   0.585  -7.390
   96    H    GLY  10           H        GLY  10  -6.920   3.350  -3.245
   97   1HA   GLY  10          2HA       GLY  10  -7.505   5.959  -4.490
   98   2HA   GLY  10          1HA       GLY  10  -8.067   5.598  -2.864
   99    H    ASN  11           H        ASN  11  -5.328   6.425  -4.845
  100    HA   ASN  11           HA       ASN  11  -3.427   6.198  -2.699
  101   1HB   ASN  11          2HB       ASN  11  -3.208   7.435  -5.444
  102   2HB   ASN  11          1HB       ASN  11  -1.878   7.373  -4.292
  103   1HD2  ASN  11          1HD2      ASN  11  -0.645   6.128  -5.698
  104   2HD2  ASN  11          2HD2      ASN  11  -0.972   4.452  -5.962
  105    H    ILE  12           H        ILE  12  -5.842   7.937  -2.473
  106    HA   ILE  12           HA       ILE  12  -4.494  10.488  -1.907
  107    HB   ILE  12           HB       ILE  12  -6.552  11.635  -2.204
  108   1HG1  ILE  12          2HG1      ILE  12  -7.936   9.786  -1.127
  109   2HG1  ILE  12          1HG1      ILE  12  -8.688  10.631  -2.473
  110   1HG2  ILE  12          1HG2      ILE  12  -5.842   9.675  -4.330
  111   2HG2  ILE  12          2HG2      ILE  12  -5.664  11.428  -4.307
  112   3HG2  ILE  12          3HG2      ILE  12  -7.255  10.706  -4.551
  113   1HD1  ILE  12          1HD1      ILE  12  -7.248   8.331  -3.407
  114   2HD1  ILE  12          2HD1      ILE  12  -8.957   8.732  -3.570
  115   3HD1  ILE  12          3HD1      ILE  12  -8.382   7.886  -2.133
  116    H    CYS  13           H        CYS  13  -4.899   7.919  -0.267
  117    HA   CYS  13           HA       CYS  13  -5.600   9.307   2.178
  118   1HB   CYS  13          2HB       CYS  13  -7.774   8.529   1.535
  119   2HB   CYS  13          1HB       CYS  13  -7.155   6.919   1.183
  120    HG   CYS  13           HG       CYS  13  -6.662   6.244   3.824
  121    H    ARG  14           H        ARG  14  -5.615   5.819   1.614
  122    HA   ARG  14           HA       ARG  14  -3.703   5.443   3.708
  123   1HB   ARG  14          2HB       ARG  14  -4.389   3.285   3.741
  124   2HB   ARG  14          1HB       ARG  14  -5.752   3.960   2.855
  125   1HG   ARG  14          2HG       ARG  14  -5.038   3.069   0.834
  126   2HG   ARG  14          1HG       ARG  14  -3.375   2.872   1.393
  127   1HD   ARG  14          2HD       ARG  14  -5.791   1.247   2.158
  128   2HD   ARG  14          1HD       ARG  14  -4.348   0.704   1.303
  129    HE   ARG  14           HE       ARG  14  -3.533   1.677   3.778
  130   1HH1  ARG  14          1HH1      ARG  14  -5.493  -0.915   2.517
  131   2HH1  ARG  14          2HH1      ARG  14  -5.160  -1.981   3.840
  132   1HH2  ARG  14          1HH2      ARG  14  -3.090   0.280   5.521
  133   2HH2  ARG  14          2HH2      ARG  14  -3.795  -1.302   5.549
  134    H    SER  15           H        SER  15  -3.604   5.027   0.175
  135    HA   SER  15           HA       SER  15  -1.136   3.788  -0.041
  136   1HB   SER  15          2HB       SER  15  -2.830   4.339  -1.885
  137   2HB   SER  15          1HB       SER  15  -2.019   5.901  -1.990
  138    HG   SER  15           HG       SER  15  -0.908   3.332  -2.422
  139    HA   PRO  16           HA       PRO  16   0.963   8.201  -0.262
  140   1HB   PRO  16          2HB       PRO  16  -0.370  10.167   1.100
  141   2HB   PRO  16          1HB       PRO  16  -0.514   9.906  -0.643
  142   1HG   PRO  16          2HG       PRO  16  -2.322   8.992   1.564
  143   2HG   PRO  16          1HG       PRO  16  -2.745   9.706  -0.003
  144   1HD   PRO  16          2HD       PRO  16  -2.910   7.067   0.410
  145   2HD   PRO  16          1HD       PRO  16  -2.366   7.722  -1.149
  146    H    MET  17           H        MET  17  -1.064   7.626   2.615
  147    HA   MET  17           HA       MET  17   0.732   8.565   4.531
  148   1HB   MET  17          2HB       MET  17  -1.762   7.619   4.672
  149   2HB   MET  17          1HB       MET  17  -0.908   6.172   5.193
  150   1HG   MET  17          2HG       MET  17  -0.630   8.890   6.454
  151   2HG   MET  17          1HG       MET  17  -1.649   7.586   7.061
  152   1HE   MET  17          1HE       MET  17   0.322   5.646   9.251
  153   2HE   MET  17          2HE       MET  17  -1.194   6.359   8.702
  154   3HE   MET  17          3HE       MET  17  -0.084   7.304   9.694
  155    H    ALA  18           H        ALA  18   0.190   5.194   3.504
  156    HA   ALA  18           HA       ALA  18   2.454   4.180   4.879
  157   1HB   ALA  18          1HB       ALA  18   2.019   2.328   2.963
  158   2HB   ALA  18          2HB       ALA  18   0.449   3.128   3.017
  159   3HB   ALA  18          3HB       ALA  18   1.131   2.421   4.483
  160    H    GLU  19           H        GLU  19   2.035   5.815   1.893
  161    HA   GLU  19           HA       GLU  19   4.210   4.830   0.425
  162   1HB   GLU  19          2HB       GLU  19   2.685   6.171  -0.762
  163   2HB   GLU  19          1HB       GLU  19   2.741   7.454   0.435
  164   1HG   GLU  19          2HG       GLU  19   3.923   8.354  -1.318
  165   2HG   GLU  19          1HG       GLU  19   5.206   7.706  -0.294
  166    H    PHE  20           H        PHE  20   4.000   7.634   2.613
  167    HA   PHE  20           HA       PHE  20   6.801   8.172   2.436
  168   1HB   PHE  20          2HB       PHE  20   5.595  10.088   2.928
  169   2HB   PHE  20          1HB       PHE  20   4.541   9.266   4.073
  170    HD1  PHE  20           1HD      PHE  20   8.136  10.163   3.636
  171    HD2  PHE  20           2HD      PHE  20   4.870   9.649   6.316
  172    HE1  PHE  20           1HE      PHE  20   9.535  10.975   5.490
  173    HE2  PHE  20           2HE      PHE  20   6.262  10.462   8.175
  174    HZ   PHE  20           HZ       PHE  20   8.599  11.126   7.762
  175    H    ILE  21           H        ILE  21   4.738   6.709   4.976
  176    HA   ILE  21           HA       ILE  21   6.802   6.324   6.815
  177    HB   ILE  21           HB       ILE  21   5.416   4.832   8.021
  178   1HG1  ILE  21          2HG1      ILE  21   3.442   4.627   5.770
  179   2HG1  ILE  21          1HG1      ILE  21   4.794   3.506   5.875
  180   1HG2  ILE  21          1HG2      ILE  21   3.891   6.368   8.566
  181   2HG2  ILE  21          2HG2      ILE  21   3.190   6.387   6.949
  182   3HG2  ILE  21          3HG2      ILE  21   4.632   7.341   7.296
  183   1HD1  ILE  21          1HD1      ILE  21   3.578   2.261   7.232
  184   2HD1  ILE  21          2HD1      ILE  21   2.305   3.481   7.277
  185   3HD1  ILE  21          3HD1      ILE  21   3.642   3.559   8.424
  186    H    MET  22           H        MET  22   5.502   3.975   4.460
  187    HA   MET  22           HA       MET  22   7.300   1.921   5.042
  188   1HB   MET  22          2HB       MET  22   5.822   2.597   2.502
  189   2HB   MET  22          1HB       MET  22   6.824   1.160   2.664
  190   1HG   MET  22          2HG       MET  22   5.428   0.241   4.312
  191   2HG   MET  22          1HG       MET  22   4.593   1.772   4.567
  192   1HE   MET  22          1HE       MET  22   2.934  -1.387   3.507
  193   2HE   MET  22          2HE       MET  22   1.686  -0.146   3.379
  194   3HE   MET  22          3HE       MET  22   2.865  -0.080   4.689
  195    H    LYS  23           H        LYS  23   7.527   4.532   2.632
  196    HA   LYS  23           HA       LYS  23   9.905   3.820   1.418
  197   1HB   LYS  23          2HB       LYS  23   8.219   5.971   1.270
  198   2HB   LYS  23          1HB       LYS  23   9.663   6.699   1.960
  199   1HG   LYS  23          2HG       LYS  23  10.307   4.960  -0.256
  200   2HG   LYS  23          1HG       LYS  23   9.156   6.214  -0.719
  201   1HD   LYS  23          2HD       LYS  23  10.622   7.941  -0.123
  202   2HD   LYS  23          1HD       LYS  23  11.634   6.866   0.844
  203   1HE   LYS  23          2HE       LYS  23  11.349   6.775  -2.157
  204   2HE   LYS  23          1HE       LYS  23  12.701   7.489  -1.281
  205   1HZ   LYS  23          1HZ       LYS  23  13.518   5.419  -1.717
  206   2HZ   LYS  23          2HZ       LYS  23  12.005   4.665  -1.644
  207   3HZ   LYS  23          3HZ       LYS  23  12.793   5.118  -0.217
  208    H    ASP  24           H        ASP  24   9.397   5.426   4.508
  209    HA   ASP  24           HA       ASP  24  12.102   6.153   4.951
  210   1HB   ASP  24          2HB       ASP  24   9.697   6.614   6.238
  211   2HB   ASP  24          1HB       ASP  24  10.573   5.596   7.377
  212    H    LEU  25           H        LEU  25  10.178   3.526   6.407
  213    HA   LEU  25           HA       LEU  25  12.401   2.271   7.626
  214   1HB   LEU  25          2HB       LEU  25  10.064   0.596   6.948
  215   2HB   LEU  25          1HB       LEU  25  10.914   0.776   8.469
  216    HG   LEU  25           HG       LEU  25   9.011   2.843   7.369
  217   1HD1  LEU  25          1HD1      LEU  25   7.739   0.857   7.762
  218   2HD1  LEU  25          2HD1      LEU  25   7.444   1.971   9.097
  219   3HD1  LEU  25          3HD1      LEU  25   8.529   0.597   9.317
  220   1HD2  LEU  25          1HD2      LEU  25   9.225   3.954   9.380
  221   2HD2  LEU  25          2HD2      LEU  25  10.870   3.374   9.114
  222   3HD2  LEU  25          3HD2      LEU  25   9.804   2.521  10.231
  223    H    VAL  26           H        VAL  26  11.204   2.187   4.413
  224    HA   VAL  26           HA       VAL  26  12.053  -0.387   3.647
  225    HB   VAL  26           HB       VAL  26  11.250   2.076   2.195
  226   1HG1  VAL  26          1HG1      VAL  26  11.736   0.629   0.046
  227   2HG1  VAL  26          2HG1      VAL  26  13.033  -0.015   1.053
  228   3HG1  VAL  26          3HG1      VAL  26  12.957   1.713   0.713
  229   1HG2  VAL  26          1HG2      VAL  26   9.494   0.791   1.467
  230   2HG2  VAL  26          2HG2      VAL  26   9.840   0.028   3.018
  231   3HG2  VAL  26          3HG2      VAL  26  10.424  -0.707   1.526
  232    H    LYS  27           H        LYS  27  13.668   2.766   3.043
  233    HA   LYS  27           HA       LYS  27  15.905   1.822   1.772
  234   1HB   LYS  27          2HB       LYS  27  17.097   3.805   2.971
  235   2HB   LYS  27          1HB       LYS  27  15.799   4.127   1.830
  236   1HG   LYS  27          2HG       LYS  27  14.848   5.348   3.411
  237   2HG   LYS  27          1HG       LYS  27  14.514   3.844   4.270
  238   1HD   LYS  27          2HD       LYS  27  15.833   4.534   5.919
  239   2HD   LYS  27          1HD       LYS  27  17.201   4.501   4.805
  240   1HE   LYS  27          2HE       LYS  27  16.196   6.833   4.069
  241   2HE   LYS  27          1HE       LYS  27  15.526   6.790   5.699
  242   1HZ   LYS  27          1HZ       LYS  27  18.351   6.856   4.864
  243   2HZ   LYS  27          2HZ       LYS  27  17.927   6.232   6.377
  244   3HZ   LYS  27          3HZ       LYS  27  17.547   7.833   5.989
  245    H    LYS  28           H        LYS  28  15.541   2.237   5.287
  246    HA   LYS  28           HA       LYS  28  18.081   1.179   5.926
  247   1HB   LYS  28          2HB       LYS  28  17.265   1.125   8.233
  248   2HB   LYS  28          1HB       LYS  28  16.880   2.648   7.445
  249   1HG   LYS  28          2HG       LYS  28  14.861   2.288   8.361
  250   2HG   LYS  28          1HG       LYS  28  14.626   1.286   6.927
  251   1HD   LYS  28          2HD       LYS  28  14.314  -0.487   8.226
  252   2HD   LYS  28          1HD       LYS  28  15.948  -0.297   8.867
  253   1HE   LYS  28          2HE       LYS  28  14.837  -0.075  10.824
  254   2HE   LYS  28          1HE       LYS  28  14.694   1.598  10.287
  255   1HZ   LYS  28          1HZ       LYS  28  12.659  -0.489  10.430
  256   2HZ   LYS  28          2HZ       LYS  28  12.549   0.601   9.142
  257   3HZ   LYS  28          3HZ       LYS  28  12.531   1.171  10.735
  258    H    ALA  29           H        ALA  29  15.017  -0.397   5.294
  259    HA   ALA  29           HA       ALA  29  16.292  -2.954   6.023
  260   1HB   ALA  29          1HB       ALA  29  13.453  -2.109   6.531
  261   2HB   ALA  29          2HB       ALA  29  14.696  -2.499   7.720
  262   3HB   ALA  29          3HB       ALA  29  14.031  -3.768   6.691
  263    H    ASN  30           H        ASN  30  16.032  -1.652   3.342
  264    HA   ASN  30           HA       ASN  30  15.121  -4.000   1.951
  265   1HB   ASN  30          2HB       ASN  30  13.291  -1.842   2.310
  266   2HB   ASN  30          1HB       ASN  30  13.753  -1.890   0.612
  267   1HD2  ASN  30          1HD2      ASN  30  12.132  -2.829  -0.411
  268   2HD2  ASN  30          2HD2      ASN  30  11.402  -4.333   0.023
  269    H    LEU  31           H        LEU  31  15.807  -0.539   1.408
  270    HA   LEU  31           HA       LEU  31  16.967  -0.878  -1.133
  271   1HB   LEU  31          2HB       LEU  31  16.438   1.264   0.600
  272   2HB   LEU  31          1HB       LEU  31  18.167   1.313   0.316
  273    HG   LEU  31           HG       LEU  31  16.087   1.271  -1.871
  274   1HD1  LEU  31          1HD1      LEU  31  17.578   3.699  -1.729
  275   2HD1  LEU  31          2HD1      LEU  31  16.821   3.391  -0.166
  276   3HD1  LEU  31          3HD1      LEU  31  15.834   3.458  -1.627
  277   1HD2  LEU  31          1HD2      LEU  31  19.059   1.784  -1.945
  278   2HD2  LEU  31          2HD2      LEU  31  17.956   1.900  -3.316
  279   3HD2  LEU  31          3HD2      LEU  31  18.238   0.341  -2.542
  280    H    GLU  32           H        GLU  32  18.109  -1.598   1.989
  281    HA   GLU  32           HA       GLU  32  20.879  -1.315   1.694
  282   1HB   GLU  32          2HB       GLU  32  20.325  -3.685   3.200
  283   2HB   GLU  32          1HB       GLU  32  20.873  -2.120   3.780
  284   1HG   GLU  32          2HG       GLU  32  18.815  -1.505   4.475
  285   2HG   GLU  32          1HG       GLU  32  17.997  -2.352   3.163
  286    H    LYS  33           H        LYS  33  18.792  -4.123   1.092
  287    HA   LYS  33           HA       LYS  33  20.959  -5.557  -0.203
  288   1HB   LYS  33          2HB       LYS  33  18.150  -6.207   0.600
  289   2HB   LYS  33          1HB       LYS  33  18.929  -7.187  -0.635
  290   1HG   LYS  33          2HG       LYS  33  20.364  -6.691   1.926
  291   2HG   LYS  33          1HG       LYS  33  19.040  -7.859   1.889
  292   1HD   LYS  33          2HD       LYS  33  20.344  -9.381   0.923
  293   2HD   LYS  33          1HD       LYS  33  20.767  -8.257  -0.370
  294   1HE   LYS  33          2HE       LYS  33  22.817  -8.081   0.459
  295   2HE   LYS  33          1HE       LYS  33  22.152  -7.443   1.962
  296   1HZ   LYS  33          1HZ       LYS  33  23.553  -9.439   2.260
  297   2HZ   LYS  33          2HZ       LYS  33  22.435 -10.336   1.362
  298   3HZ   LYS  33          3HZ       LYS  33  21.975  -9.646   2.836
  299    H    GLU  34           H        GLU  34  19.395  -3.038  -1.161
  300    HA   GLU  34           HA       GLU  34  18.843  -2.093  -3.141
  301   1HB   GLU  34          2HB       GLU  34  20.998  -3.354  -3.775
  302   2HB   GLU  34          1HB       GLU  34  19.930  -4.511  -4.558
  303   1HG   GLU  34          2HG       GLU  34  19.366  -3.080  -6.223
  304   2HG   GLU  34          1HG       GLU  34  19.541  -1.651  -5.207
  305    H    PHE  35           H        PHE  35  16.673  -2.877  -2.132
  306    HA   PHE  35           HA       PHE  35  15.319  -4.755  -3.937
  307   1HB   PHE  35          2HB       PHE  35  14.604  -3.658  -1.220
  308   2HB   PHE  35          1HB       PHE  35  13.440  -4.524  -2.215
  309    HD1  PHE  35           1HD      PHE  35  16.076  -6.245  -3.217
  310    HD2  PHE  35           2HD      PHE  35  14.045  -5.480   0.447
  311    HE1  PHE  35           1HE      PHE  35  16.901  -8.379  -2.317
  312    HE2  PHE  35           2HE      PHE  35  14.868  -7.615   1.350
  313    HZ   PHE  35           HZ       PHE  35  16.298  -9.067  -0.031
  314    H    PHE  36           H        PHE  36  13.283  -4.189  -4.898
  315    HA   PHE  36           HA       PHE  36  12.874  -1.282  -5.163
  316   1HB   PHE  36          2HB       PHE  36  13.843  -2.772  -7.159
  317   2HB   PHE  36          1HB       PHE  36  12.127  -3.058  -7.426
  318    HD1  PHE  36           1HD      PHE  36  14.792  -0.543  -7.410
  319    HD2  PHE  36           2HD      PHE  36  10.677  -1.302  -8.193
  320    HE1  PHE  36           1HE      PHE  36  14.623   1.609  -8.595
  321    HE2  PHE  36           2HE      PHE  36  10.503   0.846  -9.379
  322    HZ   PHE  36           HZ       PHE  36  12.477   2.304  -9.582
  323    H    ILE  37           H        ILE  37  10.900  -0.543  -4.780
  324    HA   ILE  37           HA       ILE  37   8.622  -2.399  -4.881
  325    HB   ILE  37           HB       ILE  37   7.895  -0.705  -2.860
  326   1HG1  ILE  37          2HG1      ILE  37  10.033  -1.192  -1.308
  327   2HG1  ILE  37          1HG1      ILE  37  10.854  -0.996  -2.853
  328   1HG2  ILE  37          1HG2      ILE  37   8.780  -2.795  -1.437
  329   2HG2  ILE  37          2HG2      ILE  37   8.858  -3.487  -3.058
  330   3HG2  ILE  37          3HG2      ILE  37   7.332  -2.852  -2.443
  331   1HD1  ILE  37          1HD1      ILE  37  10.635   1.207  -2.774
  332   2HD1  ILE  37          2HD1      ILE  37  10.096   1.008  -1.106
  333   3HD1  ILE  37          3HD1      ILE  37   8.913   1.096  -2.412
  334    H    ASN  38           H        ASN  38   6.880  -1.610  -5.906
  335    HA   ASN  38           HA       ASN  38   6.919   1.242  -6.641
  336   1HB   ASN  38          2HB       ASN  38   5.447  -0.993  -8.047
  337   2HB   ASN  38          1HB       ASN  38   5.654   0.661  -8.614
  338   1HD2  ASN  38          1HD2      ASN  38   7.330  -2.337  -7.901
  339   2HD2  ASN  38          2HD2      ASN  38   8.669  -2.059  -8.958
  340    H    SER  39           H        SER  39   4.620   2.058  -7.190
  341    HA   SER  39           HA       SER  39   2.419   1.002  -5.727
  342   1HB   SER  39          2HB       SER  39   3.279   1.824  -3.728
  343   2HB   SER  39          1HB       SER  39   4.045   3.206  -4.509
  344    HG   SER  39           HG       SER  39   1.296   2.822  -3.947
  345    H    ALA  40           H        ALA  40   0.619   1.656  -6.741
  346    HA   ALA  40           HA       ALA  40   0.284   4.326  -7.727
  347   1HB   ALA  40          1HB       ALA  40   0.413   4.030 -10.003
  348   2HB   ALA  40          2HB       ALA  40   0.162   2.287  -9.900
  349   3HB   ALA  40          3HB       ALA  40   1.720   2.982  -9.452
  350    H    GLY  41           H        GLY  41  -1.811   4.444  -9.092
  351   1HA   GLY  41          2HA       GLY  41  -3.832   2.933  -7.621
  352   2HA   GLY  41          1HA       GLY  41  -4.118   4.349  -8.623
  353    H    THR  42           H        THR  42  -5.852   2.346  -8.942
  354    HA   THR  42           HA       THR  42  -5.121   0.345 -10.792
  355    HB   THR  42           HB       THR  42  -7.912   1.438 -10.617
  356    HG1  THR  42           1HG      THR  42  -7.103  -0.541  -8.815
  357   1HG2  THR  42          1HG2      THR  42  -7.388  -1.450 -10.536
  358   2HG2  THR  42          2HG2      THR  42  -6.848  -0.650 -12.013
  359   3HG2  THR  42          3HG2      THR  42  -8.535  -0.532 -11.513
  360    H    SER  43           H        SER  43  -6.713   3.501 -11.275
  361    HA   SER  43           HA       SER  43  -6.000   3.286 -14.127
  362   1HB   SER  43          2HB       SER  43  -8.555   3.246 -13.238
  363   2HB   SER  43          1HB       SER  43  -8.321   4.983 -13.438
  364    HG   SER  43           HG       SER  43  -7.304   3.905 -15.578
  365    H    GLY  44           H        GLY  44  -5.246   4.837 -11.381
  366   1HA   GLY  44          2HA       GLY  44  -4.147   6.796 -10.913
  367   2HA   GLY  44          1HA       GLY  44  -3.803   6.891 -12.632
  368    H    GLU  45           H        GLU  45  -7.104   6.798 -11.576
  369    HA   GLU  45           HA       GLU  45  -7.825   9.151 -12.897
  370   1HB   GLU  45          2HB       GLU  45  -9.394   8.272 -10.512
  371   2HB   GLU  45          1HB       GLU  45  -9.962   8.810 -12.086
  372   1HG   GLU  45          2HG       GLU  45 -10.303   6.692 -12.614
  373   2HG   GLU  45          1HG       GLU  45  -8.558   6.451 -12.580
  374    H    HIS  46           H        HIS  46  -7.886   8.703  -9.369
  375    HA   HIS  46           HA       HIS  46  -7.071  11.520  -9.084
  376   1HB   HIS  46          2HB       HIS  46  -8.198  11.262  -6.771
  377   2HB   HIS  46          1HB       HIS  46  -9.234  11.428  -8.185
  378    HD1  HIS  46           1HD      HIS  46  -8.473   9.195  -5.376
  379    HD2  HIS  46           2HD      HIS  46 -10.456   8.943  -9.018
  380    HE1  HIS  46           1HE      HIS  46  -9.857   7.101  -5.243
  381    HE2  HIS  46           2HE      HIS  46 -11.023   6.949  -7.472
  382    H    ASP  47           H        ASP  47  -6.546   8.227  -8.165
  383    HA   ASP  47           HA       ASP  47  -5.036   8.291  -5.912
  384   1HB   ASP  47          2HB       ASP  47  -3.773   6.639  -7.982
  385   2HB   ASP  47          1HB       ASP  47  -4.486   6.164  -6.440
  386    H    GLY  48           H        GLY  48  -3.319   9.429  -5.276
  387   1HA   GLY  48          2HA       GLY  48  -0.874   9.694  -5.804
  388   2HA   GLY  48          1HA       GLY  48  -1.418  10.335  -7.345
  389    H    GLU  49           H        GLU  49  -3.616  11.383  -5.147
  390    HA   GLU  49           HA       GLU  49  -2.689  14.065  -5.243
  391   1HB   GLU  49          2HB       GLU  49  -4.991  12.649  -3.992
  392   2HB   GLU  49          1HB       GLU  49  -4.584  14.247  -3.379
  393   1HG   GLU  49          2HG       GLU  49  -4.934  13.774  -6.313
  394   2HG   GLU  49          1HG       GLU  49  -6.325  14.033  -5.260
  395    H    GLY  50           H        GLY  50  -3.346  12.062  -2.355
  396   1HA   GLY  50          2HA       GLY  50  -1.054  11.986  -1.022
  397   2HA   GLY  50          1HA       GLY  50  -1.445  13.691  -0.851
  398    H    MET  51           H        MET  51  -1.779  13.722   1.328
  399    HA   MET  51           HA       MET  51  -3.056  11.847   2.899
  400   1HB   MET  51          2HB       MET  51  -3.680  13.989   4.307
  401   2HB   MET  51          1HB       MET  51  -2.015  13.442   4.170
  402   1HG   MET  51          2HG       MET  51  -2.041  15.798   3.877
  403   2HG   MET  51          1HG       MET  51  -1.704  15.062   2.311
  404   1HE   MET  51          1HE       MET  51  -3.552  15.903   0.002
  405   2HE   MET  51          2HE       MET  51  -2.085  16.473   0.797
  406   3HE   MET  51          3HE       MET  51  -3.431  17.579   0.534
  407    H    HIS  52           H        HIS  52  -5.151  12.051   4.036
  408    HA   HIS  52           HA       HIS  52  -7.266  13.084   2.267
  409   1HB   HIS  52          2HB       HIS  52  -6.804  10.451   2.539
  410   2HB   HIS  52          1HB       HIS  52  -7.858  10.692   3.926
  411    HD1  HIS  52           1HD      HIS  52  -8.156  12.291   0.498
  412    HD2  HIS  52           2HD      HIS  52 -10.212   9.694   3.005
  413    HE1  HIS  52           1HE      HIS  52 -10.354  11.855  -0.643
  414    HE2  HIS  52           2HE      HIS  52 -11.621  10.366   0.944
  415    H    TYR  53           H        TYR  53  -9.441  12.479   3.859
  416    HA   TYR  53           HA       TYR  53  -9.675  14.643   5.533
  417   1HB   TYR  53          2HB       TYR  53 -11.377  12.736   4.681
  418   2HB   TYR  53          1HB       TYR  53 -11.172  12.221   6.349
  419    HD1  TYR  53           1HD      TYR  53 -10.785  15.146   7.395
  420    HD2  TYR  53           2HD      TYR  53 -13.709  13.273   4.936
  421    HE1  TYR  53           1HE      TYR  53 -12.445  16.814   8.109
  422    HE2  TYR  53           2HE      TYR  53 -15.375  14.938   5.641
  423    HH   TYR  53           HH       TYR  53 -14.575  17.450   8.017
  424    H    GLY  54           H        GLY  54  -9.552  11.324   6.811
  425   1HA   GLY  54          2HA       GLY  54  -8.572  12.333   9.344
  426   2HA   GLY  54          1HA       GLY  54  -9.024  10.675   8.984
  427    H    THR  55           H        THR  55  -7.210  10.797   6.537
  428    HA   THR  55           HA       THR  55  -4.987   9.560   7.684
  429    HB   THR  55           HB       THR  55  -5.000  10.978   5.014
  430    HG1  THR  55           1HG      THR  55  -6.674   9.603   4.828
  431   1HG2  THR  55          1HG2      THR  55  -3.268   9.494   4.387
  432   2HG2  THR  55          2HG2      THR  55  -3.511   8.489   5.816
  433   3HG2  THR  55          3HG2      THR  55  -2.821  10.103   5.981
  434    H    LYS  56           H        LYS  56  -5.293  12.871   6.394
  435    HA   LYS  56           HA       LYS  56  -2.704  13.743   7.005
  436   1HB   LYS  56          2HB       LYS  56  -4.139  15.030   5.538
  437   2HB   LYS  56          1HB       LYS  56  -5.302  15.286   6.831
  438   1HG   LYS  56          2HG       LYS  56  -3.391  16.474   8.054
  439   2HG   LYS  56          1HG       LYS  56  -2.586  16.499   6.484
  440   1HD   LYS  56          2HD       LYS  56  -5.369  17.380   6.381
  441   2HD   LYS  56          1HD       LYS  56  -4.351  18.389   7.410
  442   1HE   LYS  56          2HE       LYS  56  -2.754  18.046   5.234
  443   2HE   LYS  56          1HE       LYS  56  -4.355  18.058   4.495
  444   1HZ   LYS  56          1HZ       LYS  56  -3.212  20.275   4.740
  445   2HZ   LYS  56          2HZ       LYS  56  -3.481  20.144   6.405
  446   3HZ   LYS  56          3HZ       LYS  56  -4.793  20.189   5.339
  447    H    ASN  57           H        ASN  57  -5.601  13.518   8.961
  448    HA   ASN  57           HA       ASN  57  -4.795  15.076  11.147
  449   1HB   ASN  57          2HB       ASN  57  -6.851  14.512  11.853
  450   2HB   ASN  57          1HB       ASN  57  -6.987  13.421  10.476
  451   1HD2  ASN  57          1HD2      ASN  57  -6.031  13.653  13.846
  452   2HD2  ASN  57          2HD2      ASN  57  -6.211  11.971  14.201
  453    H    LYS  58           H        LYS  58  -4.483  11.602  10.543
  454    HA   LYS  58           HA       LYS  58  -3.213  10.891  12.925
  455   1HB   LYS  58          2HB       LYS  58  -4.083   9.577  10.681
  456   2HB   LYS  58          1HB       LYS  58  -2.337   9.418  10.541
  457   1HG   LYS  58          2HG       LYS  58  -3.549   8.811  13.172
  458   2HG   LYS  58          1HG       LYS  58  -3.830   7.670  11.855
  459   1HD   LYS  58          2HD       LYS  58  -1.797   6.831  12.132
  460   2HD   LYS  58          1HD       LYS  58  -1.088   8.418  11.821
  461   1HE   LYS  58          2HE       LYS  58  -1.934   7.247  14.460
  462   2HE   LYS  58          1HE       LYS  58  -0.312   7.709  13.945
  463   1HZ   LYS  58          1HZ       LYS  58  -1.774   9.994  13.686
  464   2HZ   LYS  58          2HZ       LYS  58  -0.718   9.633  14.954
  465   3HZ   LYS  58          3HZ       LYS  58  -2.371   9.310  15.113
  466    H    LEU  59           H        LEU  59  -1.903  11.945   9.837
  467    HA   LEU  59           HA       LEU  59   0.826  11.624  10.504
  468   1HB   LEU  59          2HB       LEU  59  -0.564  13.312   8.431
  469   2HB   LEU  59          1HB       LEU  59   1.182  13.235   8.579
  470    HG   LEU  59           HG       LEU  59  -0.161  10.621   8.363
  471   1HD1  LEU  59          1HD1      LEU  59  -1.227  10.891   6.434
  472   2HD1  LEU  59          2HD1      LEU  59   0.149  11.732   5.720
  473   3HD1  LEU  59          3HD1      LEU  59  -1.047  12.632   6.654
  474   1HD2  LEU  59          1HD2      LEU  59   1.827  11.010   6.417
  475   2HD2  LEU  59          2HD2      LEU  59   1.954  10.112   7.928
  476   3HD2  LEU  59          3HD2      LEU  59   2.395  11.817   7.878
  477    H    ALA  60           H        ALA  60  -1.275  14.497  10.478
  478    HA   ALA  60           HA       ALA  60   0.558  16.397  11.290
  479   1HB   ALA  60          1HB       ALA  60  -1.209  17.770  11.403
  480   2HB   ALA  60          2HB       ALA  60  -2.077  16.719  12.522
  481   3HB   ALA  60          3HB       ALA  60  -2.125  16.393  10.789
  482    H    GLN  61           H        GLN  61  -1.115  13.969  13.182
  483    HA   GLN  61           HA       GLN  61  -0.755  14.940  15.750
  484   1HB   GLN  61          2HB       GLN  61  -0.847  12.159  14.626
  485   2HB   GLN  61          1HB       GLN  61  -0.563  12.419  16.342
  486   1HG   GLN  61          2HG       GLN  61  -2.744  14.010  15.825
  487   2HG   GLN  61          1HG       GLN  61  -3.021  12.598  14.806
  488   1HE2  GLN  61          1HE2      GLN  61  -1.824  10.648  16.389
  489   2HE2  GLN  61          2HE2      GLN  61  -2.760  10.447  17.827
  490    H    LEU  62           H        LEU  62   1.463  12.820  13.920
  491    HA   LEU  62           HA       LEU  62   3.691  13.951  15.448
  492   1HB   LEU  62          2HB       LEU  62   4.154  11.144  15.026
  493   2HB   LEU  62          1HB       LEU  62   4.222  12.070  16.514
  494    HG   LEU  62           HG       LEU  62   1.531  11.788  16.207
  495   1HD1  LEU  62          1HD1      LEU  62   1.763  10.351  14.261
  496   2HD1  LEU  62          2HD1      LEU  62   1.111   9.445  15.627
  497   3HD1  LEU  62          3HD1      LEU  62   2.805   9.260  15.172
  498   1HD2  LEU  62          1HD2      LEU  62   2.079  11.207  18.295
  499   2HD2  LEU  62          2HD2      LEU  62   3.649  10.573  17.801
  500   3HD2  LEU  62          3HD2      LEU  62   2.209   9.564  17.665
  501    H    ASN  63           H        ASN  63   2.657  11.921  12.747
  502    HA   ASN  63           HA       ASN  63   5.140  11.897  11.393
  503   1HB   ASN  63          2HB       ASN  63   2.421  11.626  10.100
  504   2HB   ASN  63          1HB       ASN  63   3.953  10.943   9.556
  505   1HD2  ASN  63          1HD2      ASN  63   1.133  10.341  11.204
  506   2HD2  ASN  63          2HD2      ASN  63   1.594   8.883  12.008
  507    H    ILE  64           H        ILE  64   4.634  12.657   8.812
  508    HA   ILE  64           HA       ILE  64   4.759  15.562   9.044
  509    HB   ILE  64           HB       ILE  64   5.154  14.042   6.488
  510   1HG1  ILE  64          2HG1      ILE  64   6.533  12.895   8.157
  511   2HG1  ILE  64          1HG1      ILE  64   7.542  13.803   7.037
  512   1HG2  ILE  64          1HG2      ILE  64   6.094  15.934   5.703
  513   2HG2  ILE  64          2HG2      ILE  64   6.854  16.326   7.246
  514   3HG2  ILE  64          3HG2      ILE  64   5.146  16.684   6.987
  515   1HD1  ILE  64          1HD1      ILE  64   8.304  15.183   8.641
  516   2HD1  ILE  64          2HD1      ILE  64   7.857  13.842   9.694
  517   3HD1  ILE  64          3HD1      ILE  64   6.764  15.213   9.501
  518    H    GLU  65           H        GLU  65   3.324  16.957   8.116
  519    HA   GLU  65           HA       GLU  65   0.708  16.063   7.634
  520   1HB   GLU  65          2HB       GLU  65   1.758  18.449   8.260
  521   2HB   GLU  65          1HB       GLU  65   1.504  18.697   6.538
  522   1HG   GLU  65          2HG       GLU  65  -0.797  18.490   6.717
  523   2HG   GLU  65          1HG       GLU  65  -0.700  17.644   8.261
  524    H    HIS  66           H        HIS  66   3.292  15.712   5.677
  525    HA   HIS  66           HA       HIS  66   1.902  14.719   3.494
  526   1HB   HIS  66          2HB       HIS  66   2.371  16.500   1.786
  527   2HB   HIS  66          1HB       HIS  66   1.143  16.937   2.969
  528    HD1  HIS  66           1HD      HIS  66   1.726  18.817   4.645
  529    HD2  HIS  66           2HD      HIS  66   4.722  18.011   1.882
  530    HE1  HIS  66           1HE      HIS  66   3.339  20.739   4.822
  531    HE2  HIS  66           2HE      HIS  66   5.100  20.270   3.084
  532    H    LYS  67           H        LYS  67   3.239  13.813   1.943
  533    HA   LYS  67           HA       LYS  67   5.938  14.459   1.533
  534   1HB   LYS  67          2HB       LYS  67   5.612  13.188   3.955
  535   2HB   LYS  67          1HB       LYS  67   6.027  11.861   2.878
  536   1HG   LYS  67          2HG       LYS  67   8.130  12.444   3.398
  537   2HG   LYS  67          1HG       LYS  67   7.889  13.665   2.147
  538   1HD   LYS  67          2HD       LYS  67   7.058  15.194   3.984
  539   2HD   LYS  67          1HD       LYS  67   7.658  13.996   5.131
  540   1HE   LYS  67          2HE       LYS  67   9.289  15.783   4.761
  541   2HE   LYS  67          1HE       LYS  67   9.905  14.223   4.217
  542   1HZ   LYS  67          1HZ       LYS  67  10.364  15.274   2.324
  543   2HZ   LYS  67          2HZ       LYS  67   9.403  16.611   2.712
  544   3HZ   LYS  67          3HZ       LYS  67   8.702  15.244   2.006
  545    H    ASN  68           H        ASN  68   6.533  13.613  -0.356
  546    HA   ASN  68           HA       ASN  68   6.475  12.427  -2.291
  547   1HB   ASN  68          2HB       ASN  68   5.905  10.286  -0.255
  548   2HB   ASN  68          1HB       ASN  68   6.010   9.911  -1.973
  549   1HD2  ASN  68          1HD2      ASN  68   7.787   8.546  -1.271
  550   2HD2  ASN  68          2HD2      ASN  68   9.359   9.241  -1.092
  551    H    PHE  69           H        PHE  69   4.591  13.770  -2.864
  552    HA   PHE  69           HA       PHE  69   2.150  12.132  -3.143
  553   1HB   PHE  69          2HB       PHE  69   2.446  15.114  -2.754
  554   2HB   PHE  69          1HB       PHE  69   0.956  14.374  -3.322
  555    HD1  PHE  69           1HD      PHE  69   2.090  11.965  -1.215
  556    HD2  PHE  69           2HD      PHE  69   0.650  15.967  -1.065
  557    HE1  PHE  69           1HE      PHE  69   1.384  11.619   1.115
  558    HE2  PHE  69           2HE      PHE  69  -0.056  15.627   1.265
  559    HZ   PHE  69           HZ       PHE  69   0.310  13.452   2.359
  560    H    THR  70           H        THR  70   2.407  11.309  -5.167
  561    HA   THR  70           HA       THR  70   2.444  13.242  -7.364
  562    HB   THR  70           HB       THR  70   4.253  10.819  -7.273
  563    HG1  THR  70           1HG      THR  70   5.384  13.280  -7.683
  564   1HG2  THR  70          1HG2      THR  70   3.405  12.657  -9.443
  565   2HG2  THR  70          2HG2      THR  70   3.868  10.956  -9.515
  566   3HG2  THR  70          3HG2      THR  70   5.109  12.203  -9.393
  567    H    SER  71           H        SER  71   0.934  12.813  -8.832
  568    HA   SER  71           HA       SER  71  -0.922  10.753  -8.577
  569   1HB   SER  71          2HB       SER  71  -1.144  11.433 -11.219
  570   2HB   SER  71          1HB       SER  71  -1.878  12.328  -9.891
  571    HG   SER  71           HG       SER  71   0.767  12.914 -10.577
  572    H    LYS  72           H        LYS  72  -0.772   8.649  -8.976
  573    HA   LYS  72           HA       LYS  72   1.115   7.753 -11.049
  574   1HB   LYS  72          2HB       LYS  72   0.867   5.572  -9.415
  575   2HB   LYS  72          1HB       LYS  72   2.199   6.717  -9.380
  576   1HG   LYS  72          2HG       LYS  72   0.269   7.894  -7.784
  577   2HG   LYS  72          1HG       LYS  72   0.165   6.176  -7.396
  578   1HD   LYS  72          2HD       LYS  72   2.674   6.206  -7.127
  579   2HD   LYS  72          1HD       LYS  72   2.583   7.965  -7.238
  580   1HE   LYS  72          2HE       LYS  72   0.707   7.520  -5.363
  581   2HE   LYS  72          1HE       LYS  72   1.775   6.152  -5.051
  582   1HZ   LYS  72          1HZ       LYS  72   3.599   7.622  -4.710
  583   2HZ   LYS  72          2HZ       LYS  72   2.315   8.185  -3.764
  584   3HZ   LYS  72          3HZ       LYS  72   2.702   8.967  -5.213
  585    H    LYS  73           H        LYS  73   0.521   6.000 -12.336
  586    HA   LYS  73           HA       LYS  73  -2.220   5.003 -12.059
  587   1HB   LYS  73          2HB       LYS  73  -1.799   5.332 -14.826
  588   2HB   LYS  73          1HB       LYS  73  -2.955   6.179 -13.808
  589   1HG   LYS  73          2HG       LYS  73  -0.747   7.614 -13.279
  590   2HG   LYS  73          1HG       LYS  73  -0.387   7.090 -14.926
  591   1HD   LYS  73          2HD       LYS  73  -2.770   7.883 -15.479
  592   2HD   LYS  73          1HD       LYS  73  -2.695   8.733 -13.934
  593   1HE   LYS  73          2HE       LYS  73  -0.638   9.868 -14.701
  594   2HE   LYS  73          1HE       LYS  73  -0.808   9.068 -16.264
  595   1HZ   LYS  73          1HZ       LYS  73  -1.760  11.155 -16.566
  596   2HZ   LYS  73          2HZ       LYS  73  -2.537  11.141 -15.065
  597   3HZ   LYS  73          3HZ       LYS  73  -3.098  10.149 -16.314
  598    H    LEU  74           H        LEU  74  -1.498   2.966 -11.513
  599    HA   LEU  74           HA       LEU  74   0.576   1.535 -12.698
  600   1HB   LEU  74          2HB       LEU  74  -0.168   0.541 -10.771
  601   2HB   LEU  74          1HB       LEU  74  -1.855   0.836 -11.137
  602    HG   LEU  74           HG       LEU  74  -1.513  -0.979 -12.977
  603   1HD1  LEU  74          1HD1      LEU  74   1.055  -0.933 -11.818
  604   2HD1  LEU  74          2HD1      LEU  74   0.436  -2.029 -13.054
  605   3HD1  LEU  74          3HD1      LEU  74   0.304  -2.457 -11.348
  606   1HD2  LEU  74          1HD2      LEU  74  -1.928  -2.757 -11.214
  607   2HD2  LEU  74          2HD2      LEU  74  -3.026  -1.377 -11.217
  608   3HD2  LEU  74          3HD2      LEU  74  -1.734  -1.473 -10.021
  609    H    THR  75           H        THR  75   0.830   0.718 -14.678
  610    HA   THR  75           HA       THR  75  -1.574   0.066 -16.255
  611    HB   THR  75           HB       THR  75   0.395   0.694 -18.126
  612    HG1  THR  75           1HG      THR  75   1.136   2.727 -17.498
  613   1HG2  THR  75          1HG2      THR  75  -1.327   1.830 -18.986
  614   2HG2  THR  75          2HG2      THR  75  -1.397   2.910 -17.593
  615   3HG2  THR  75          3HG2      THR  75  -2.242   1.363 -17.551
  616    H    GLN  76           H        GLN  76  -0.550  -1.080 -18.430
  617    HA   GLN  76           HA       GLN  76   0.173  -3.652 -17.591
  618   1HB   GLN  76          2HB       GLN  76  -0.792  -2.685 -19.878
  619   2HB   GLN  76          1HB       GLN  76   0.903  -2.762 -20.339
  620   1HG   GLN  76          2HG       GLN  76   0.399  -5.214 -19.145
  621   2HG   GLN  76          1HG       GLN  76  -1.044  -4.878 -20.099
  622   1HE2  GLN  76          1HE2      GLN  76  -0.092  -3.571 -22.248
  623   2HE2  GLN  76          2HE2      GLN  76   0.988  -4.577 -23.147
  624    H    LYS  77           H        LYS  77   2.128  -1.006 -18.897
  625    HA   LYS  77           HA       LYS  77   4.572  -2.354 -19.070
  626   1HB   LYS  77          2HB       LYS  77   3.861   0.013 -19.897
  627   2HB   LYS  77          1HB       LYS  77   4.414   0.544 -18.315
  628   1HG   LYS  77          2HG       LYS  77   6.600   0.169 -18.798
  629   2HG   LYS  77          1HG       LYS  77   6.245  -1.168 -19.893
  630   1HD   LYS  77          2HD       LYS  77   6.511   0.221 -21.607
  631   2HD   LYS  77          1HD       LYS  77   5.106   1.130 -21.048
  632   1HE   LYS  77          2HE       LYS  77   6.416   2.666 -19.878
  633   2HE   LYS  77          1HE       LYS  77   7.821   1.601 -19.869
  634   1HZ   LYS  77          1HZ       LYS  77   6.719   2.751 -22.365
  635   2HZ   LYS  77          2HZ       LYS  77   8.229   2.026 -22.129
  636   3HZ   LYS  77          3HZ       LYS  77   7.902   3.540 -21.449
  637    H    LEU  78           H        LEU  78   3.027  -0.701 -16.368
  638    HA   LEU  78           HA       LEU  78   5.260  -0.806 -14.620
  639   1HB   LEU  78          2HB       LEU  78   2.779   0.380 -14.575
  640   2HB   LEU  78          1HB       LEU  78   2.631  -0.854 -13.338
  641    HG   LEU  78           HG       LEU  78   4.964   0.188 -12.568
  642   1HD1  LEU  78          1HD1      LEU  78   4.506   2.756 -12.790
  643   2HD1  LEU  78          2HD1      LEU  78   3.658   2.266 -14.257
  644   3HD1  LEU  78          3HD1      LEU  78   5.368   1.884 -14.057
  645   1HD2  LEU  78          1HD2      LEU  78   3.815   1.011 -10.792
  646   2HD2  LEU  78          2HD2      LEU  78   2.518   0.069 -11.526
  647   3HD2  LEU  78          3HD2      LEU  78   2.606   1.808 -11.798
  648    H    CYS  79           H        CYS  79   2.309  -2.792 -14.812
  649    HA   CYS  79           HA       CYS  79   2.941  -4.579 -12.767
  650   1HB   CYS  79          2HB       CYS  79   0.725  -4.649 -13.518
  651   2HB   CYS  79          1HB       CYS  79   1.201  -4.776 -15.207
  652    HG   CYS  79           HG       CYS  79   2.367  -7.399 -13.657
  653    H    ASP  80           H        ASP  80   3.679  -4.726 -16.226
  654    HA   ASP  80           HA       ASP  80   4.846  -7.283 -16.236
  655   1HB   ASP  80          2HB       ASP  80   4.126  -5.992 -18.261
  656   2HB   ASP  80          1HB       ASP  80   5.550  -4.975 -18.056
  657    H    GLU  81           H        GLU  81   5.997  -4.286 -15.035
  658    HA   GLU  81           HA       GLU  81   8.799  -4.932 -15.228
  659   1HB   GLU  81          2HB       GLU  81   7.176  -2.665 -14.271
  660   2HB   GLU  81          1HB       GLU  81   8.680  -2.921 -13.397
  661   1HG   GLU  81          2HG       GLU  81   9.986  -2.473 -15.237
  662   2HG   GLU  81          1HG       GLU  81   8.701  -2.869 -16.376
  663    H    SER  82           H        SER  82   6.575  -4.471 -12.468
  664    HA   SER  82           HA       SER  82   8.343  -5.508 -10.537
  665   1HB   SER  82          2HB       SER  82   5.323  -5.310 -10.517
  666   2HB   SER  82          1HB       SER  82   6.310  -5.694  -9.107
  667    HG   SER  82           HG       SER  82   6.276  -3.293 -10.610
  668    H    ASP  83           H        ASP  83   7.629  -7.475  -9.147
  669    HA   ASP  83           HA       ASP  83   7.156  -9.730 -10.984
  670   1HB   ASP  83          2HB       ASP  83   9.399  -9.355  -9.578
  671   2HB   ASP  83          1HB       ASP  83   8.455 -10.189  -8.348
  672    H    PHE  84           H        PHE  84   6.340  -8.313  -7.882
  673    HA   PHE  84           HA       PHE  84   4.211 -10.329  -7.591
  674   1HB   PHE  84          2HB       PHE  84   6.068  -9.127  -5.605
  675   2HB   PHE  84          1HB       PHE  84   4.410  -9.402  -5.081
  676    HD1  PHE  84           1HD      PHE  84   3.450 -11.753  -5.411
  677    HD2  PHE  84           2HD      PHE  84   7.608 -10.863  -5.592
  678    HE1  PHE  84           1HE      PHE  84   3.971 -14.121  -4.995
  679    HE2  PHE  84           2HE      PHE  84   8.136 -13.231  -5.178
  680    HZ   PHE  84           HZ       PHE  84   6.316 -14.863  -4.880
  681    H    LEU  85           H        LEU  85   2.170  -9.628  -7.518
  682    HA   LEU  85           HA       LEU  85   1.726  -6.722  -7.480
  683   1HB   LEU  85          2HB       LEU  85   0.649  -8.894  -9.041
  684   2HB   LEU  85          1HB       LEU  85  -0.644  -8.039  -8.221
  685    HG   LEU  85           HG       LEU  85   0.564  -5.911  -9.199
  686   1HD1  LEU  85          1HD1      LEU  85   2.068  -6.196 -10.820
  687   2HD1  LEU  85          2HD1      LEU  85   1.143  -7.497 -11.570
  688   3HD1  LEU  85          3HD1      LEU  85   2.220  -7.847 -10.219
  689   1HD2  LEU  85          1HD2      LEU  85  -1.165  -7.794 -10.800
  690   2HD2  LEU  85          2HD2      LEU  85  -0.868  -6.105 -11.209
  691   3HD2  LEU  85          3HD2      LEU  85  -1.711  -6.515  -9.715
  692    H    ILE  86           H        ILE  86   0.572  -5.787  -5.894
  693    HA   ILE  86           HA       ILE  86  -0.904  -7.542  -4.044
  694    HB   ILE  86           HB       ILE  86   0.673  -5.107  -3.211
  695   1HG1  ILE  86          2HG1      ILE  86   2.192  -6.892  -3.917
  696   2HG1  ILE  86          1HG1      ILE  86   2.248  -6.690  -2.170
  697   1HG2  ILE  86          1HG2      ILE  86   0.151  -6.818  -1.045
  698   2HG2  ILE  86          2HG2      ILE  86  -1.364  -6.662  -1.932
  699   3HG2  ILE  86          3HG2      ILE  86  -0.530  -5.220  -1.350
  700   1HD1  ILE  86          1HD1      ILE  86   0.330  -8.694  -3.127
  701   2HD1  ILE  86          2HD1      ILE  86   1.473  -8.758  -1.786
  702   3HD1  ILE  86          3HD1      ILE  86   2.026  -9.063  -3.432
  703    H    THR  87           H        THR  87  -2.947  -6.974  -3.681
  704    HA   THR  87           HA       THR  87  -3.900  -4.434  -4.776
  705    HB   THR  87           HB       THR  87  -6.171  -5.685  -4.011
  706    HG1  THR  87           1HG      THR  87  -5.272  -7.952  -5.018
  707   1HG2  THR  87          1HG2      THR  87  -6.563  -5.686  -6.218
  708   2HG2  THR  87          2HG2      THR  87  -5.206  -6.764  -6.544
  709   3HG2  THR  87          3HG2      THR  87  -4.935  -5.029  -6.384
  710    H    MET  88           H        MET  88  -4.628  -6.417  -1.895
  711    HA   MET  88           HA       MET  88  -4.872  -5.880   0.290
  712   1HB   MET  88          2HB       MET  88  -3.588  -4.233   1.084
  713   2HB   MET  88          1HB       MET  88  -3.175  -3.872  -0.584
  714   1HG   MET  88          2HG       MET  88  -5.415  -2.451  -0.413
  715   2HG   MET  88          1HG       MET  88  -4.958  -2.439   1.289
  716   1HE   MET  88          1HE       MET  88  -2.599  -0.671   2.116
  717   2HE   MET  88          2HE       MET  88  -1.298  -1.217   1.058
  718   3HE   MET  88          3HE       MET  88  -2.404  -2.390   1.773
  719    H    ASP  89           H        ASP  89  -6.269  -3.620  -2.044
  720    HA   ASP  89           HA       ASP  89  -8.513  -3.027  -0.325
  721   1HB   ASP  89          2HB       ASP  89  -8.165  -2.387  -3.260
  722   2HB   ASP  89          1HB       ASP  89  -9.327  -1.663  -2.154
  723    H    ASN  90           H        ASN  90 -10.551  -3.854  -0.468
  724    HA   ASN  90           HA       ASN  90 -10.886  -6.466  -1.388
  725   1HB   ASN  90          2HB       ASN  90 -13.262  -4.684  -1.053
  726   2HB   ASN  90          1HB       ASN  90 -13.032  -6.350  -0.536
  727   1HD2  ASN  90          1HD2      ASN  90 -10.685  -6.186   0.852
  728   2HD2  ASN  90          2HD2      ASN  90 -10.899  -5.189   2.246
  729    H    SER  91           H        SER  91 -12.367  -3.501  -2.716
  730    HA   SER  91           HA       SER  91 -13.475  -4.781  -4.969
  731   1HB   SER  91          2HB       SER  91 -12.763  -1.866  -4.975
  732   2HB   SER  91          1HB       SER  91 -14.180  -2.668  -5.656
  733    HG   SER  91           HG       SER  91 -15.155  -2.410  -3.820
  734    H    ASN  92           H        ASN  92 -10.314  -3.429  -4.388
  735    HA   ASN  92           HA       ASN  92  -9.481  -3.008  -7.025
  736   1HB   ASN  92          2HB       ASN  92  -8.259  -3.117  -4.419
  737   2HB   ASN  92          1HB       ASN  92  -7.231  -3.914  -5.605
  738   1HD2  ASN  92          1HD2      ASN  92  -6.070  -1.860  -4.636
  739   2HD2  ASN  92          2HD2      ASN  92  -6.154  -0.466  -5.652
  740    H    PHE  93           H        PHE  93  -9.452  -5.939  -5.053
  741    HA   PHE  93           HA       PHE  93  -7.906  -7.540  -6.751
  742   1HB   PHE  93          2HB       PHE  93  -8.444  -8.175  -4.445
  743   2HB   PHE  93          1HB       PHE  93 -10.137  -8.368  -4.884
  744    HD1  PHE  93           1HD      PHE  93  -6.874  -9.531  -6.290
  745    HD2  PHE  93           2HD      PHE  93 -10.794 -10.553  -4.985
  746    HE1  PHE  93           1HE      PHE  93  -6.450 -11.884  -6.872
  747    HE2  PHE  93           2HE      PHE  93 -10.377 -12.907  -5.565
  748    HZ   PHE  93           HZ       PHE  93  -8.203 -13.576  -6.508
  749    H    LYS  94           H        LYS  94 -11.451  -7.253  -6.537
  750    HA   LYS  94           HA       LYS  94 -12.020  -9.032  -8.631
  751   1HB   LYS  94          2HB       LYS  94 -13.695  -8.321  -6.991
  752   2HB   LYS  94          1HB       LYS  94 -13.647  -6.686  -7.637
  753   1HG   LYS  94          2HG       LYS  94 -14.550  -7.447  -9.742
  754   2HG   LYS  94          1HG       LYS  94 -14.499  -9.122  -9.188
  755   1HD   LYS  94          2HD       LYS  94 -16.413  -8.911  -8.042
  756   2HD   LYS  94          1HD       LYS  94 -15.943  -7.346  -7.377
  757   1HE   LYS  94          2HE       LYS  94 -16.834  -7.664 -10.228
  758   2HE   LYS  94          1HE       LYS  94 -17.985  -7.416  -8.915
  759   1HZ   LYS  94          1HZ       LYS  94 -15.905  -5.575  -9.916
  760   2HZ   LYS  94          2HZ       LYS  94 -16.535  -5.401  -8.356
  761   3HZ   LYS  94          3HZ       LYS  94 -17.559  -5.290  -9.698
  762    H    ASN  95           H        ASN  95 -11.309  -5.586  -8.624
  763    HA   ASN  95           HA       ASN  95 -12.094  -5.079 -11.297
  764   1HB   ASN  95          2HB       ASN  95 -11.147  -3.564  -9.152
  765   2HB   ASN  95          1HB       ASN  95  -9.914  -3.384 -10.398
  766   1HD2  ASN  95          1HD2      ASN  95 -13.440  -3.715 -10.538
  767   2HD2  ASN  95          2HD2      ASN  95 -13.714  -2.260 -11.428
  768    H    VAL  96           H        VAL  96  -8.819  -5.430  -9.916
  769    HA   VAL  96           HA       VAL  96  -7.464  -5.470 -12.370
  770    HB   VAL  96           HB       VAL  96  -5.568  -6.418 -11.147
  771   1HG1  VAL  96          1HG1      VAL  96  -5.605  -4.691  -9.206
  772   2HG1  VAL  96          2HG1      VAL  96  -7.127  -4.176  -9.931
  773   3HG1  VAL  96          3HG1      VAL  96  -5.639  -4.123 -10.874
  774   1HG2  VAL  96          1HG2      VAL  96  -6.742  -6.445  -8.509
  775   2HG2  VAL  96          2HG2      VAL  96  -5.784  -7.680  -9.325
  776   3HG2  VAL  96          3HG2      VAL  96  -7.529  -7.615  -9.569
  777    H    LEU  97           H        LEU  97  -9.268  -7.899 -10.732
  778    HA   LEU  97           HA       LEU  97  -8.151 -10.259 -11.605
  779   1HB   LEU  97          2HB       LEU  97 -10.227  -9.760 -10.106
  780   2HB   LEU  97          1HB       LEU  97 -11.123  -9.907 -11.605
  781    HG   LEU  97           HG       LEU  97 -10.093 -12.202 -11.872
  782   1HD1  LEU  97          1HD1      LEU  97  -8.410 -11.441  -9.894
  783   2HD1  LEU  97          2HD1      LEU  97  -8.749 -13.117 -10.322
  784   3HD1  LEU  97          3HD1      LEU  97  -9.605 -12.360  -8.980
  785   1HD2  LEU  97          1HD2      LEU  97 -11.933 -11.547  -9.585
  786   2HD2  LEU  97          2HD2      LEU  97 -11.591 -13.200 -10.095
  787   3HD2  LEU  97          3HD2      LEU  97 -12.358 -12.073 -11.215
  788    H    LYS  98           H        LYS  98 -10.784  -8.490 -13.266
  789    HA   LYS  98           HA       LYS  98 -10.137  -9.998 -15.698
  790   1HB   LYS  98          2HB       LYS  98 -12.582  -9.258 -14.470
  791   2HB   LYS  98          1HB       LYS  98 -12.491  -8.407 -16.007
  792   1HG   LYS  98          2HG       LYS  98 -11.712 -10.871 -16.775
  793   2HG   LYS  98          1HG       LYS  98 -12.799 -11.276 -15.444
  794   1HD   LYS  98          2HD       LYS  98 -14.340  -9.490 -16.664
  795   2HD   LYS  98          1HD       LYS  98 -13.384  -9.994 -18.060
  796   1HE   LYS  98          2HE       LYS  98 -14.902 -11.634 -18.243
  797   2HE   LYS  98          1HE       LYS  98 -13.998 -12.391 -16.933
  798   1HZ   LYS  98          1HZ       LYS  98 -16.648 -11.717 -16.898
  799   2HZ   LYS  98          2HZ       LYS  98 -15.915 -10.519 -15.957
  800   3HZ   LYS  98          3HZ       LYS  98 -15.707 -12.150 -15.559
  801    H    ASN  99           H        ASN  99  -9.485  -7.009 -14.365
  802    HA   ASN  99           HA       ASN  99  -9.695  -5.487 -16.821
  803   1HB   ASN  99          2HB       ASN  99  -9.982  -4.598 -14.398
  804   2HB   ASN  99          1HB       ASN  99  -8.223  -4.547 -14.379
  805   1HD2  ASN  99          1HD2      ASN  99 -10.863  -3.656 -16.580
  806   2HD2  ASN  99          2HD2      ASN  99 -10.224  -2.103 -16.988
  807    H    PHE 100           H        PHE 100  -7.489  -7.682 -15.619
  808    HA   PHE 100           HA       PHE 100  -5.370  -6.530 -17.308
  809   1HB   PHE 100          2HB       PHE 100  -5.151  -7.720 -14.561
  810   2HB   PHE 100          1HB       PHE 100  -3.779  -7.752 -15.664
  811    HD1  PHE 100           1HD      PHE 100  -5.932  -5.652 -13.598
  812    HD2  PHE 100           2HD      PHE 100  -2.651  -5.706 -16.309
  813    HE1  PHE 100           1HE      PHE 100  -5.346  -3.358 -12.928
  814    HE2  PHE 100           2HE      PHE 100  -2.058  -3.413 -15.641
  815    HZ   PHE 100           HZ       PHE 100  -3.406  -2.236 -13.949
  816    H    THR 101           H        THR 101  -3.602  -8.343 -17.638
  817    HA   THR 101           HA       THR 101  -4.815 -10.344 -19.226
  818    HB   THR 101           HB       THR 101  -2.094 -11.022 -18.550
  819    HG1  THR 101           1HG      THR 101  -1.308  -8.928 -19.508
  820   1HG2  THR 101          1HG2      THR 101  -3.145  -9.785 -21.089
  821   2HG2  THR 101          2HG2      THR 101  -3.404 -11.479 -20.668
  822   3HG2  THR 101          3HG2      THR 101  -1.766 -10.867 -20.896
  823    H    ASN 102           H        ASN 102  -3.426 -12.651 -18.832
  824    HA   ASN 102           HA       ASN 102  -4.887 -13.872 -16.720
  825   1HB   ASN 102          2HB       ASN 102  -2.600 -15.037 -18.318
  826   2HB   ASN 102          1HB       ASN 102  -3.811 -15.934 -17.407
  827   1HD2  ASN 102          1HD2      ASN 102  -3.007 -15.751 -20.325
  828   2HD2  ASN 102          2HD2      ASN 102  -4.508 -15.536 -21.154
  829    H    THR 103           H        THR 103  -2.490 -11.849 -16.303
  830    HA   THR 103           HA       THR 103  -0.852 -13.423 -14.484
  831    HB   THR 103           HB       THR 103   0.251 -11.765 -15.938
  832    HG1  THR 103           1HG      THR 103   1.630 -11.230 -14.371
  833   1HG2  THR 103          1HG2      THR 103  -1.887 -10.115 -15.185
  834   2HG2  THR 103          2HG2      THR 103  -0.509  -9.686 -16.199
  835   3HG2  THR 103          3HG2      THR 103  -0.449  -9.394 -14.461
  836    H    GLN 104           H        GLN 104  -3.802 -12.323 -14.190
  837    HA   GLN 104           HA       GLN 104  -3.763 -10.663 -11.898
  838   1HB   GLN 104          2HB       GLN 104  -6.087 -10.858 -11.881
  839   2HB   GLN 104          1HB       GLN 104  -5.679 -11.085 -13.576
  840   1HG   GLN 104          2HG       GLN 104  -5.738 -13.581 -12.086
  841   2HG   GLN 104          1HG       GLN 104  -7.276 -12.720 -12.055
  842   1HE2  GLN 104          1HE2      GLN 104  -4.863 -14.208 -14.096
  843   2HE2  GLN 104          2HE2      GLN 104  -5.869 -14.383 -15.490
  844    H    ASN 105           H        ASN 105  -3.093 -13.949 -12.298
  845    HA   ASN 105           HA       ASN 105  -3.983 -14.809  -9.693
  846   1HB   ASN 105          2HB       ASN 105  -2.009 -16.337 -11.359
  847   2HB   ASN 105          1HB       ASN 105  -3.273 -16.947 -10.294
  848   1HD2  ASN 105          1HD2      ASN 105  -2.412 -16.805 -13.381
  849   2HD2  ASN 105          2HD2      ASN 105  -3.958 -16.785 -14.150
  850    H    LYS 106           H        LYS 106  -1.463 -12.946 -10.737
  851    HA   LYS 106           HA       LYS 106   0.443 -13.926  -8.746
  852   1HB   LYS 106          2HB       LYS 106   0.893 -13.062 -11.258
  853   2HB   LYS 106          1HB       LYS 106   1.076 -11.542 -10.393
  854   1HG   LYS 106          2HG       LYS 106   3.149 -12.113  -9.886
  855   2HG   LYS 106          1HG       LYS 106   2.527 -13.471  -8.945
  856   1HD   LYS 106          2HD       LYS 106   3.159 -14.963 -10.492
  857   2HD   LYS 106          1HD       LYS 106   2.530 -13.978 -11.815
  858   1HE   LYS 106          2HE       LYS 106   5.177 -13.614 -10.415
  859   2HE   LYS 106          1HE       LYS 106   4.936 -14.276 -12.031
  860   1HZ   LYS 106          1HZ       LYS 106   5.599 -11.956 -12.113
  861   2HZ   LYS 106          2HZ       LYS 106   4.262 -11.512 -11.177
  862   3HZ   LYS 106          3HZ       LYS 106   4.034 -12.146 -12.728
  863    H    VAL 107           H        VAL 107  -2.171 -12.303  -8.402
  864    HA   VAL 107           HA       VAL 107  -1.034 -10.073  -6.856
  865    HB   VAL 107           HB       VAL 107  -3.956 -10.314  -7.483
  866   1HG1  VAL 107          1HG1      VAL 107  -3.845  -7.868  -7.359
  867   2HG1  VAL 107          2HG1      VAL 107  -2.111  -7.966  -7.055
  868   3HG1  VAL 107          3HG1      VAL 107  -3.251  -8.624  -5.881
  869   1HG2  VAL 107          1HG2      VAL 107  -3.628 -10.099  -9.670
  870   2HG2  VAL 107          2HG2      VAL 107  -1.880 -10.082  -9.439
  871   3HG2  VAL 107          3HG2      VAL 107  -2.793  -8.574  -9.370
  872    H    LEU 108           H        LEU 108  -1.554  -9.789  -4.713
  873    HA   LEU 108           HA       LEU 108  -3.024 -12.003  -3.437
  874   1HB   LEU 108          2HB       LEU 108  -0.447 -10.690  -2.746
  875   2HB   LEU 108          1HB       LEU 108  -1.481 -11.188  -1.421
  876    HG   LEU 108           HG       LEU 108  -1.506 -13.500  -2.489
  877   1HD1  LEU 108          1HD1      LEU 108   1.066 -12.905  -3.786
  878   2HD1  LEU 108          2HD1      LEU 108  -0.364 -12.284  -4.612
  879   3HD1  LEU 108          3HD1      LEU 108  -0.225 -14.008  -4.266
  880   1HD2  LEU 108          1HD2      LEU 108   0.504 -12.171  -0.899
  881   2HD2  LEU 108          2HD2      LEU 108   1.192 -13.509  -1.818
  882   3HD2  LEU 108          3HD2      LEU 108  -0.171 -13.792  -0.737
  883    H    LYS 109           H        LYS 109  -4.281 -11.501  -1.591
  884    HA   LYS 109           HA       LYS 109  -5.099  -8.678  -1.487
  885   1HB   LYS 109          2HB       LYS 109  -6.648 -10.842  -1.977
  886   2HB   LYS 109          1HB       LYS 109  -6.810 -10.734  -0.230
  887   1HG   LYS 109          2HG       LYS 109  -7.886  -8.704  -0.318
  888   2HG   LYS 109          1HG       LYS 109  -7.199  -8.289  -1.889
  889   1HD   LYS 109          2HD       LYS 109  -9.249  -8.848  -2.644
  890   2HD   LYS 109          1HD       LYS 109  -8.619 -10.494  -2.541
  891   1HE   LYS 109          2HE       LYS 109  -9.723 -10.916  -0.528
  892   2HE   LYS 109          1HE       LYS 109  -9.964  -9.201  -0.195
  893   1HZ   LYS 109          1HZ       LYS 109 -11.982 -10.451  -0.937
  894   2HZ   LYS 109          2HZ       LYS 109 -11.263 -10.605  -2.460
  895   3HZ   LYS 109          3HZ       LYS 109 -11.627  -9.071  -1.849
  896    H    ILE 110           H        ILE 110  -5.298  -7.606   0.454
  897    HA   ILE 110           HA       ILE 110  -3.685  -8.638   2.619
  898    HB   ILE 110           HB       ILE 110  -4.004  -6.138   1.681
  899   1HG1  ILE 110          2HG1      ILE 110  -3.497  -6.456   4.617
  900   2HG1  ILE 110          1HG1      ILE 110  -2.415  -7.223   3.457
  901   1HG2  ILE 110          1HG2      ILE 110  -5.444  -4.799   2.881
  902   2HG2  ILE 110          2HG2      ILE 110  -5.574  -5.948   4.213
  903   3HG2  ILE 110          3HG2      ILE 110  -6.399  -6.270   2.687
  904   1HD1  ILE 110          1HD1      ILE 110  -1.319  -5.270   3.635
  905   2HD1  ILE 110          2HD1      ILE 110  -2.759  -4.383   4.137
  906   3HD1  ILE 110          3HD1      ILE 110  -2.499  -4.748   2.432
  907    H    THR 111           H        THR 111  -6.972  -8.647   1.782
  908    HA   THR 111           HA       THR 111  -8.229  -8.477   4.280
  909    HB   THR 111           HB       THR 111  -9.237 -10.337   2.152
  910    HG1  THR 111           1HG      THR 111  -8.643  -7.681   1.855
  911   1HG2  THR 111          1HG2      THR 111 -11.393  -9.575   2.875
  912   2HG2  THR 111          2HG2      THR 111 -10.669  -8.310   3.867
  913   3HG2  THR 111          3HG2      THR 111 -10.461 -10.004   4.309
  914    H    ASP 112           H        ASP 112  -6.506 -11.082   2.721
  915    HA   ASP 112           HA       ASP 112  -7.406 -13.090   4.586
  916   1HB   ASP 112          2HB       ASP 112  -5.564 -13.011   2.245
  917   2HB   ASP 112          1HB       ASP 112  -5.338 -14.301   3.423
  918    H    PHE 113           H        PHE 113  -4.854 -10.781   4.381
  919    HA   PHE 113           HA       PHE 113  -3.300 -12.100   6.475
  920   1HB   PHE 113          2HB       PHE 113  -2.705  -9.511   5.029
  921   2HB   PHE 113          1HB       PHE 113  -1.602 -10.423   6.052
  922    HD1  PHE 113           1HD      PHE 113  -2.083  -9.584   2.835
  923    HD2  PHE 113           2HD      PHE 113  -1.680 -13.100   5.198
  924    HE1  PHE 113           1HE      PHE 113  -1.284 -10.815   0.859
  925    HE2  PHE 113           2HE      PHE 113  -0.879 -14.337   3.227
  926    HZ   PHE 113           HZ       PHE 113  -0.681 -13.195   1.054
  927    H    SER 114           H        SER 114  -5.770  -9.832   6.154
  928    HA   SER 114           HA       SER 114  -5.054  -8.340   8.547
  929   1HB   SER 114          2HB       SER 114  -6.106  -6.736   7.372
  930   2HB   SER 114          1HB       SER 114  -6.821  -7.914   6.271
  931    HG   SER 114           HG       SER 114  -8.509  -7.006   7.339
  932    HA   PRO 115           HA       PRO 115  -7.462 -10.943  11.200
  933   1HB   PRO 115          2HB       PRO 115  -7.739  -9.304  13.325
  934   2HB   PRO 115          1HB       PRO 115  -6.191 -10.043  12.899
  935   1HG   PRO 115          2HG       PRO 115  -7.188  -7.276  12.339
  936   2HG   PRO 115          1HG       PRO 115  -5.588  -7.796  12.899
  937   1HD   PRO 115          2HD       PRO 115  -6.130  -7.174  10.305
  938   2HD   PRO 115          1HD       PRO 115  -4.890  -8.349  10.783
  939    H    SER 116           H        SER 116  -9.172  -9.317  13.147
  940    HA   SER 116           HA       SER 116 -11.610  -9.520  11.651
  941   1HB   SER 116          2HB       SER 116 -11.397  -8.321  14.401
  942   2HB   SER 116          1HB       SER 116 -12.721  -9.250  13.700
  943    HG   SER 116           HG       SER 116 -10.167 -10.382  14.118
  944    H    LEU 117           H        LEU 117  -9.603  -7.411  10.915
  945    HA   LEU 117           HA       LEU 117 -10.689  -4.885  11.638
  946   1HB   LEU 117          2HB       LEU 117  -8.679  -5.870   9.678
  947   2HB   LEU 117          1HB       LEU 117  -9.349  -4.270   9.418
  948    HG   LEU 117           HG       LEU 117  -8.027  -5.131  11.991
  949   1HD1  LEU 117          1HD1      LEU 117  -6.017  -4.223  11.279
  950   2HD1  LEU 117          2HD1      LEU 117  -6.771  -3.337   9.953
  951   3HD1  LEU 117          3HD1      LEU 117  -6.586  -5.088   9.850
  952   1HD2  LEU 117          1HD2      LEU 117  -8.498  -3.098  12.794
  953   2HD2  LEU 117          2HD2      LEU 117  -9.704  -3.019  11.510
  954   3HD2  LEU 117          3HD2      LEU 117  -8.111  -2.304  11.268
  955    H    ASN 118           H        ASN 118 -10.938  -6.881   8.704
  956    HA   ASN 118           HA       ASN 118 -12.372  -6.821   6.933
  957   1HB   ASN 118          2HB       ASN 118 -13.872  -7.399   8.917
  958   2HB   ASN 118          1HB       ASN 118 -14.391  -5.717   8.885
  959   1HD2  ASN 118          1HD2      ASN 118 -13.649  -7.884   6.196
  960   2HD2  ASN 118          2HD2      ASN 118 -15.225  -7.833   5.491
  961    H    TYR 119           H        TYR 119 -10.766  -4.466   7.352
  962    HA   TYR 119           HA       TYR 119 -12.175  -2.073   7.077
  963   1HB   TYR 119          2HB       TYR 119 -10.133  -1.116   6.827
  964   2HB   TYR 119          1HB       TYR 119  -9.567  -2.703   7.329
  965    HD1  TYR 119           1HD      TYR 119  -9.095  -4.405   5.381
  966    HD2  TYR 119           2HD      TYR 119  -9.337  -0.187   4.882
  967    HE1  TYR 119           1HE      TYR 119  -7.801  -4.582   3.290
  968    HE2  TYR 119           2HE      TYR 119  -8.054  -0.356   2.799
  969    HH   TYR 119           HH       TYR 119  -6.518  -1.827   1.700
  970    H    ASP 120           H        ASP 120 -12.236  -0.682   5.089
  971    HA   ASP 120           HA       ASP 120 -12.768  -2.289   2.679
  972   1HB   ASP 120          2HB       ASP 120 -14.419   0.136   3.246
  973   2HB   ASP 120          1HB       ASP 120 -14.820  -1.295   2.301
  974    H    GLU 121           H        GLU 121 -10.802  -1.707   1.754
  975    HA   GLU 121           HA       GLU 121  -9.259  -0.433   0.659
  976   1HB   GLU 121          2HB       GLU 121 -11.645   1.151  -0.269
  977   2HB   GLU 121          1HB       GLU 121 -10.151   0.832  -1.140
  978   1HG   GLU 121          2HG       GLU 121 -11.052  -0.958  -2.063
  979   2HG   GLU 121          1HG       GLU 121 -11.338  -1.658  -0.471
  980    H    VAL 122           H        VAL 122  -8.003   0.683   2.047
  981    HA   VAL 122           HA       VAL 122  -7.118   2.388   3.234
  982    HB   VAL 122           HB       VAL 122  -7.023   4.406   2.205
  983   1HG1  VAL 122          1HG1      VAL 122  -7.302   4.195  -0.169
  984   2HG1  VAL 122          2HG1      VAL 122  -8.463   2.885   0.040
  985   3HG1  VAL 122          3HG1      VAL 122  -6.771   2.643   0.479
  986   1HG2  VAL 122          1HG2      VAL 122  -8.868   5.634   2.477
  987   2HG2  VAL 122          2HG2      VAL 122  -9.939   4.250   2.259
  988   3HG2  VAL 122          3HG2      VAL 122  -9.289   5.092   0.853
  989    HA   PRO 123           HA       PRO 123  -9.943   3.336   6.500
  990   1HB   PRO 123          2HB       PRO 123  -8.002   4.945   7.844
  991   2HB   PRO 123          1HB       PRO 123  -8.378   3.245   8.122
  992   1HG   PRO 123          2HG       PRO 123  -5.988   4.186   7.101
  993   2HG   PRO 123          1HG       PRO 123  -6.598   2.535   6.893
  994   1HD   PRO 123          2HD       PRO 123  -6.712   4.852   5.001
  995   2HD   PRO 123          1HD       PRO 123  -6.398   3.134   4.667
  996    H    ASP 124           H        ASP 124  -9.121   5.894   7.997
  997    HA   ASP 124           HA       ASP 124  -9.666   8.102   8.105
  998   1HB   ASP 124          2HB       ASP 124  -9.065   9.224   6.263
  999   2HB   ASP 124          1HB       ASP 124  -9.132   7.735   5.325
 1000    HA   PRO 125           HA       PRO 125 -13.954   8.058   9.002
 1001   1HB   PRO 125          2HB       PRO 125 -14.583  10.705   8.381
 1002   2HB   PRO 125          1HB       PRO 125 -13.971  10.121   9.931
 1003   1HG   PRO 125          2HG       PRO 125 -12.496  11.374   7.655
 1004   2HG   PRO 125          1HG       PRO 125 -12.264  11.589   9.400
 1005   1HD   PRO 125          2HD       PRO 125 -10.596  10.069   7.984
 1006   2HD   PRO 125          1HD       PRO 125 -11.103   9.581   9.617
 1007    H    TRP 126           H        TRP 126 -13.143   9.771   5.988
 1008    HA   TRP 126           HA       TRP 126 -15.652   9.721   4.804
 1009   1HB   TRP 126          2HB       TRP 126 -13.969  11.053   3.798
 1010   2HB   TRP 126          1HB       TRP 126 -12.878   9.683   3.624
 1011    HD1  TRP 126           HD       TRP 126 -12.671   8.968   1.195
 1012    HE1  TRP 126           1HE      TRP 126 -14.213   8.898  -0.863
 1013    HE3  TRP 126           3HE      TRP 126 -16.930  10.857   3.303
 1014    HZ2  TRP 126           2HZ      TRP 126 -16.874   9.554  -1.509
 1015    HZ3  TRP 126           3HZ      TRP 126 -18.932  11.103   1.893
 1016    HH2  TRP 126           HH       TRP 126 -18.904  10.465  -0.464
 1017    H    TYR 127           H        TYR 127 -13.391   7.125   5.248
 1018    HA   TYR 127           HA       TYR 127 -14.918   5.428   3.406
 1019   1HB   TYR 127          2HB       TYR 127 -12.167   5.246   4.571
 1020   2HB   TYR 127          1HB       TYR 127 -12.968   3.788   3.999
 1021    HD1  TYR 127           1HD      TYR 127 -11.788   7.141   2.949
 1022    HD2  TYR 127           2HD      TYR 127 -13.074   3.291   1.693
 1023    HE1  TYR 127           1HE      TYR 127 -11.102   7.674   0.652
 1024    HE2  TYR 127           2HE      TYR 127 -12.385   3.805  -0.610
 1025    HH   TYR 127           HH       TYR 127 -10.681   5.410  -1.708
 1026    H    SER 128           H        SER 128 -13.777   5.503   6.781
 1027    HA   SER 128           HA       SER 128 -15.765   3.410   7.367
 1028   1HB   SER 128          2HB       SER 128 -13.099   3.185   7.786
 1029   2HB   SER 128          1HB       SER 128 -13.613   3.848   9.338
 1030    HG   SER 128           HG       SER 128 -15.357   2.007   8.800
 1031    H    GLY 129           H        GLY 129 -14.056   6.102   9.035
 1032   1HA   GLY 129          2HA       GLY 129 -15.936   7.802   9.697
 1033   2HA   GLY 129          1HA       GLY 129 -16.460   6.450  10.681
 1034    H    ASN 130           H        ASN 130 -13.196   6.147  10.747
 1035    HA   ASN 130           HA       ASN 130 -13.003   7.917  13.096
 1036   1HB   ASN 130          2HB       ASN 130 -12.937   5.255  13.243
 1037   2HB   ASN 130          1HB       ASN 130 -11.235   5.533  12.886
 1038   1HD2  ASN 130          1HD2      ASN 130 -10.506   7.649  14.213
 1039   2HD2  ASN 130          2HD2      ASN 130 -10.786   7.494  15.913
 1040    H    PHE 131           H        PHE 131 -10.994   8.874  13.577
 1041    HA   PHE 131           HA       PHE 131  -9.388   9.464  11.210
 1042   1HB   PHE 131          2HB       PHE 131  -9.283  10.738  13.952
 1043   2HB   PHE 131          1HB       PHE 131  -8.523  11.339  12.484
 1044    HD1  PHE 131           1HD      PHE 131  -9.825  12.424  10.760
 1045    HD2  PHE 131           2HD      PHE 131 -11.653  10.991  14.326
 1046    HE1  PHE 131           1HE      PHE 131 -11.832  13.761  10.265
 1047    HE2  PHE 131           2HE      PHE 131 -13.665  12.321  13.836
 1048    HZ   PHE 131           HZ       PHE 131 -13.755  13.709  11.803
 1049    H    ASP 132           H        ASP 132  -9.282   7.647  14.096
 1050    HA   ASP 132           HA       ASP 132  -6.374   7.453  14.148
 1051   1HB   ASP 132          2HB       ASP 132  -8.393   6.055  15.918
 1052   2HB   ASP 132          1HB       ASP 132  -6.660   6.203  16.199
 1053    H    GLU 133           H        GLU 133  -9.138   5.770  12.967
 1054    HA   GLU 133           HA       GLU 133  -8.208   3.150  12.905
 1055   1HB   GLU 133          2HB       GLU 133  -9.803   2.728  11.162
 1056   2HB   GLU 133          1HB       GLU 133 -10.519   3.844  12.315
 1057   1HG   GLU 133          2HG       GLU 133  -9.707   5.676  10.697
 1058   2HG   GLU 133          1HG       GLU 133  -9.570   4.359   9.533
 1059    H    THR 134           H        THR 134  -7.460   5.907  10.891
 1060    HA   THR 134           HA       THR 134  -6.241   4.714   8.710
 1061    HB   THR 134           HB       THR 134  -4.601   6.907   9.481
 1062    HG1  THR 134           1HG      THR 134  -6.070   7.696  10.898
 1063   1HG2  THR 134          1HG2      THR 134  -5.229   7.754   7.442
 1064   2HG2  THR 134          2HG2      THR 134  -6.906   7.238   7.623
 1065   3HG2  THR 134          3HG2      THR 134  -5.660   6.059   7.213
 1066    H    TYR 135           H        TYR 135  -4.938   5.431  11.910
 1067    HA   TYR 135           HA       TYR 135  -2.311   4.515  11.419
 1068   1HB   TYR 135          2HB       TYR 135  -2.945   5.972  13.328
 1069   2HB   TYR 135          1HB       TYR 135  -3.814   4.620  14.045
 1070    HD1  TYR 135           1HD      TYR 135  -2.706   3.824  15.893
 1071    HD2  TYR 135           2HD      TYR 135  -0.421   4.980  12.495
 1072    HE1  TYR 135           1HE      TYR 135  -0.652   3.097  17.033
 1073    HE2  TYR 135           2HE      TYR 135   1.638   4.254  13.624
 1074    HH   TYR 135           HH       TYR 135   1.625   2.367  16.435
 1075    H    LYS 136           H        LYS 136  -5.161   2.969  12.871
 1076    HA   LYS 136           HA       LYS 136  -4.017   0.532  13.555
 1077   1HB   LYS 136          2HB       LYS 136  -6.795   1.366  12.817
 1078   2HB   LYS 136          1HB       LYS 136  -6.437  -0.340  13.050
 1079   1HG   LYS 136          2HG       LYS 136  -5.817   0.005  15.309
 1080   2HG   LYS 136          1HG       LYS 136  -5.811   1.758  15.108
 1081   1HD   LYS 136          2HD       LYS 136  -7.957   1.840  15.680
 1082   2HD   LYS 136          1HD       LYS 136  -8.367   0.776  14.334
 1083   1HE   LYS 136          2HE       LYS 136  -7.553  -0.054  17.117
 1084   2HE   LYS 136          1HE       LYS 136  -9.159  -0.188  16.403
 1085   1HZ   LYS 136          1HZ       LYS 136  -7.571  -1.513  14.645
 1086   2HZ   LYS 136          2HZ       LYS 136  -8.526  -2.234  15.840
 1087   3HZ   LYS 136          3HZ       LYS 136  -6.891  -1.925  16.138
 1088    H    ILE 137           H        ILE 137  -5.800   1.258  10.547
 1089    HA   ILE 137           HA       ILE 137  -5.271  -1.225   9.325
 1090    HB   ILE 137           HB       ILE 137  -5.741   1.259   7.720
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.248   1.367   9.685
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.124   1.141   8.177
 1093   1HG2  ILE 137          1HG2      ILE 137  -6.842  -0.168   6.216
 1094   2HG2  ILE 137          2HG2      ILE 137  -6.978  -1.460   7.410
 1095   3HG2  ILE 137          3HG2      ILE 137  -5.404  -1.053   6.724
 1096   1HD1  ILE 137          1HD1      ILE 137  -9.198  -0.330   9.559
 1097   2HD1  ILE 137          2HD1      ILE 137  -7.730  -0.744  10.444
 1098   3HD1  ILE 137          3HD1      ILE 137  -7.991  -1.384   8.822
 1099    H    LEU 138           H        LEU 138  -3.852   1.973   8.605
 1100    HA   LEU 138           HA       LEU 138  -2.010   1.142   6.720
 1101   1HB   LEU 138          2HB       LEU 138  -2.020   3.440   8.644
 1102   2HB   LEU 138          1HB       LEU 138  -0.683   3.195   7.535
 1103    HG   LEU 138           HG       LEU 138  -3.438   3.245   6.404
 1104   1HD1  LEU 138          1HD1      LEU 138  -3.514   5.628   6.319
 1105   2HD1  LEU 138          2HD1      LEU 138  -1.930   5.761   7.082
 1106   3HD1  LEU 138          3HD1      LEU 138  -3.304   5.155   8.005
 1107   1HD2  LEU 138          1HD2      LEU 138  -2.381   3.810   4.458
 1108   2HD2  LEU 138          2HD2      LEU 138  -1.105   2.880   5.242
 1109   3HD2  LEU 138          3HD2      LEU 138  -1.064   4.643   5.285
 1110    H    SER 139           H        SER 139  -1.333   1.685  10.193
 1111    HA   SER 139           HA       SER 139   1.316   0.842  10.150
 1112   1HB   SER 139          2HB       SER 139  -0.058   1.960  12.054
 1113   2HB   SER 139          1HB       SER 139  -0.431   0.304  12.533
 1114    HG   SER 139           HG       SER 139   1.977   1.691  12.627
 1115    H    LEU 140           H        LEU 140  -1.554  -1.096  11.042
 1116    HA   LEU 140           HA       LEU 140  -0.236  -3.506  11.483
 1117   1HB   LEU 140          2HB       LEU 140  -2.525  -3.237  12.137
 1118   2HB   LEU 140          1HB       LEU 140  -3.023  -2.952  10.480
 1119    HG   LEU 140           HG       LEU 140  -1.725  -5.537  10.808
 1120   1HD1  LEU 140          1HD1      LEU 140  -4.377  -5.254  12.180
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.855  -5.143  13.065
 1122   3HD1  LEU 140          3HD1      LEU 140  -3.262  -6.621  12.193
 1123   1HD2  LEU 140          1HD2      LEU 140  -3.150  -6.090   9.171
 1124   2HD2  LEU 140          2HD2      LEU 140  -3.467  -4.358   9.071
 1125   3HD2  LEU 140          3HD2      LEU 140  -4.537  -5.396  10.013
 1126    H    ALA 141           H        ALA 141  -1.933  -2.511   8.509
 1127    HA   ALA 141           HA       ALA 141  -1.217  -4.678   6.930
 1128   1HB   ALA 141          1HB       ALA 141  -2.416  -2.099   6.534
 1129   2HB   ALA 141          2HB       ALA 141  -2.623  -3.585   5.606
 1130   3HB   ALA 141          3HB       ALA 141  -1.312  -2.471   5.210
 1131    H    CYS 142           H        CYS 142   0.571  -1.757   7.688
 1132    HA   CYS 142           HA       CYS 142   2.565  -1.922   5.728
 1133   1HB   CYS 142          2HB       CYS 142   2.425   0.095   6.949
 1134   2HB   CYS 142          1HB       CYS 142   2.514  -0.738   8.497
 1135    HG   CYS 142           HG       CYS 142   4.973  -0.027   8.746
 1136    H    LYS 143           H        LYS 143   2.493  -3.197   9.046
 1137    HA   LYS 143           HA       LYS 143   5.047  -4.435   8.887
 1138   1HB   LYS 143          2HB       LYS 143   4.024  -3.765  11.019
 1139   2HB   LYS 143          1HB       LYS 143   2.761  -4.967  10.791
 1140   1HG   LYS 143          2HG       LYS 143   4.198  -6.741  11.184
 1141   2HG   LYS 143          1HG       LYS 143   5.637  -5.783  10.830
 1142   1HD   LYS 143          2HD       LYS 143   5.815  -5.740  13.084
 1143   2HD   LYS 143          1HD       LYS 143   4.672  -4.405  12.929
 1144   1HE   LYS 143          2HE       LYS 143   3.311  -5.542  14.275
 1145   2HE   LYS 143          1HE       LYS 143   3.084  -6.685  12.952
 1146   1HZ   LYS 143          1HZ       LYS 143   5.433  -7.021  14.664
 1147   2HZ   LYS 143          2HZ       LYS 143   4.488  -8.190  13.886
 1148   3HZ   LYS 143          3HZ       LYS 143   3.927  -7.454  15.302
 1149    H    ASN 144           H        ASN 144   1.785  -5.885   9.034
 1150    HA   ASN 144           HA       ASN 144   2.443  -8.514   8.636
 1151   1HB   ASN 144          2HB       ASN 144   0.045  -6.867   8.132
 1152   2HB   ASN 144          1HB       ASN 144   0.118  -8.381   7.233
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.885  -8.316   8.838
 1154   2HD2  ASN 144          2HD2      ASN 144  -1.623  -9.202  10.298
 1155    H    LEU 145           H        LEU 145   1.691  -6.151   6.070
 1156    HA   LEU 145           HA       LEU 145   2.135  -7.904   3.921
 1157   1HB   LEU 145          2HB       LEU 145   1.115  -5.464   4.059
 1158   2HB   LEU 145          1HB       LEU 145   2.752  -5.003   3.628
 1159    HG   LEU 145           HG       LEU 145   2.575  -6.490   1.623
 1160   1HD1  LEU 145          1HD1      LEU 145  -0.382  -6.512   2.096
 1161   2HD1  LEU 145          2HD1      LEU 145   0.648  -7.810   2.700
 1162   3HD1  LEU 145          3HD1      LEU 145   0.575  -7.475   0.970
 1163   1HD2  LEU 145          1HD2      LEU 145   0.322  -4.658   1.256
 1164   2HD2  LEU 145          2HD2      LEU 145   1.873  -4.735   0.421
 1165   3HD2  LEU 145          3HD2      LEU 145   1.751  -3.917   1.978
 1166    H    LEU 146           H        LEU 146   4.310  -5.666   5.605
 1167    HA   LEU 146           HA       LEU 146   6.537  -5.891   3.965
 1168   1HB   LEU 146          2HB       LEU 146   5.948  -4.836   6.521
 1169   2HB   LEU 146          1HB       LEU 146   7.367  -5.849   6.708
 1170    HG   LEU 146           HG       LEU 146   8.481  -4.576   4.895
 1171   1HD1  LEU 146          1HD1      LEU 146   6.419  -3.846   3.748
 1172   2HD1  LEU 146          2HD1      LEU 146   7.528  -2.516   4.084
 1173   3HD1  LEU 146          3HD1      LEU 146   6.095  -2.746   5.087
 1174   1HD2  LEU 146          1HD2      LEU 146   8.556  -2.368   6.242
 1175   2HD2  LEU 146          2HD2      LEU 146   9.116  -3.857   7.004
 1176   3HD2  LEU 146          3HD2      LEU 146   7.514  -3.221   7.380
 1177    H    VAL 147           H        VAL 147   5.516  -7.969   6.645
 1178    HA   VAL 147           HA       VAL 147   7.761  -9.648   6.689
 1179    HB   VAL 147           HB       VAL 147   4.905 -10.238   7.473
 1180   1HG1  VAL 147          1HG1      VAL 147   7.117 -11.758   8.695
 1181   2HG1  VAL 147          2HG1      VAL 147   6.749 -12.149   7.016
 1182   3HG1  VAL 147          3HG1      VAL 147   5.492 -12.277   8.247
 1183   1HG2  VAL 147          1HG2      VAL 147   5.777  -9.867   9.767
 1184   2HG2  VAL 147          2HG2      VAL 147   5.836  -8.426   8.753
 1185   3HG2  VAL 147          3HG2      VAL 147   7.307  -9.348   9.063
 1186    H    PHE 148           H        PHE 148   4.596 -10.148   5.113
 1187    HA   PHE 148           HA       PHE 148   5.248 -12.601   3.922
 1188   1HB   PHE 148          2HB       PHE 148   2.972 -11.171   4.135
 1189   2HB   PHE 148          1HB       PHE 148   3.372 -10.848   2.450
 1190    HD1  PHE 148           1HD      PHE 148   3.024 -12.470   0.787
 1191    HD2  PHE 148           2HD      PHE 148   2.724 -13.547   4.893
 1192    HE1  PHE 148           1HE      PHE 148   2.081 -14.650   0.143
 1193    HE2  PHE 148           2HE      PHE 148   1.782 -15.729   4.256
 1194    HZ   PHE 148           HZ       PHE 148   1.460 -16.283   1.878
 1195    H    LEU 149           H        LEU 149   5.309  -9.328   2.508
 1196    HA   LEU 149           HA       LEU 149   6.269 -10.133  -0.010
 1197   1HB   LEU 149          2HB       LEU 149   6.704  -7.446   1.287
 1198   2HB   LEU 149          1HB       LEU 149   6.696  -7.800  -0.433
 1199    HG   LEU 149           HG       LEU 149   4.308  -7.965   1.406
 1200   1HD1  LEU 149          1HD1      LEU 149   5.514  -5.780   0.035
 1201   2HD1  LEU 149          2HD1      LEU 149   4.049  -5.802   1.016
 1202   3HD1  LEU 149          3HD1      LEU 149   3.958  -6.139  -0.713
 1203   1HD2  LEU 149          1HD2      LEU 149   3.411  -7.958  -1.188
 1204   2HD2  LEU 149          2HD2      LEU 149   3.518  -9.371  -0.140
 1205   3HD2  LEU 149          3HD2      LEU 149   4.825  -9.008  -1.266
 1206    H    SER 150           H        SER 150   8.101  -8.434   2.567
 1207    HA   SER 150           HA       SER 150  10.329 -10.183   2.339
 1208   1HB   SER 150          2HB       SER 150  11.908  -8.352   1.472
 1209   2HB   SER 150          1HB       SER 150  10.872  -9.152   0.291
 1210    HG   SER 150           HG       SER 150  10.590  -7.041  -0.127
 1211    H    LYS 151           H        LYS 151  10.351 -10.241   4.554
 1212    HA   LYS 151           HA       LYS 151  11.877  -8.338   5.923
 1213   1HB   LYS 151          2HB       LYS 151   9.850  -6.943   5.754
 1214   2HB   LYS 151          1HB       LYS 151   8.926  -8.196   6.572
 1215   1HG   LYS 151          2HG       LYS 151   9.434  -6.526   8.176
 1216   2HG   LYS 151          1HG       LYS 151  10.451  -7.922   8.535
 1217   1HD   LYS 151          2HD       LYS 151  12.335  -6.855   7.411
 1218   2HD   LYS 151          1HD       LYS 151  11.319  -5.469   7.003
 1219   1HE   LYS 151          2HE       LYS 151  10.953  -5.129   9.457
 1220   2HE   LYS 151          1HE       LYS 151  12.158  -6.382   9.751
 1221   1HZ   LYS 151          1HZ       LYS 151  13.562  -4.651   9.759
 1222   2HZ   LYS 151          2HZ       LYS 151  12.513  -3.639   8.902
 1223   3HZ   LYS 151          3HZ       LYS 151  13.468  -4.762   8.073
 1224    H    HIS 152           H        HIS 152   8.988  -9.883   7.250
 1225    HA   HIS 152           HA       HIS 152   8.709 -11.487   8.835
 1226   1HB   HIS 152          2HB       HIS 152   9.610 -12.870   6.948
 1227   2HB   HIS 152          1HB       HIS 152  11.211 -12.714   7.663
 1228    HD1  HIS 152           1HD      HIS 152   8.658 -13.072  10.227
 1229    HD2  HIS 152           2HD      HIS 152  10.913 -15.627   7.848
 1230    HE1  HIS 152           1HE      HIS 152   8.499 -15.330  11.325
 1231    HE2  HIS 152           2HE      HIS 152   9.822 -16.872   9.836
 1232    H    HIS 153           H        HIS 153   9.152 -10.000  10.523
 1233    HA   HIS 153           HA       HIS 153  11.742  -9.548  11.568
 1234   1HB   HIS 153          2HB       HIS 153  10.586  -8.582  13.495
 1235   2HB   HIS 153          1HB       HIS 153   9.844  -8.040  11.993
 1236    HD1  HIS 153           1HD      HIS 153   7.735  -9.862  11.308
 1237    HD2  HIS 153           2HD      HIS 153   8.684  -9.199  15.299
 1238    HE1  HIS 153           1HE      HIS 153   5.692 -10.542  12.608
 1239    HE2  HIS 153           2HE      HIS 153   6.322 -10.215  15.025
 1240    H    HIS 154           H        HIS 154  12.062 -10.044  14.050
 1241    HA   HIS 154           HA       HIS 154  11.255 -12.757  14.734
 1242   1HB   HIS 154          2HB       HIS 154  13.570 -13.481  15.148
 1243   2HB   HIS 154          1HB       HIS 154  13.313 -13.085  13.452
 1244    HD1  HIS 154           1HD      HIS 154  13.554  -9.876  14.486
 1245    HD2  HIS 154           2HD      HIS 154  16.347 -12.952  14.544
 1246    HE1  HIS 154           1HE      HIS 154  15.799  -8.745  14.563
 1247    HE2  HIS 154           2HE      HIS 154  17.475 -10.625  14.563
 1248    H    HIS 155           H        HIS 155  11.324  -9.738  15.651
 1249    HA   HIS 155           HA       HIS 155  12.657  -9.634  18.115
 1250   1HB   HIS 155          2HB       HIS 155  10.276  -8.140  17.028
 1251   2HB   HIS 155          1HB       HIS 155  10.924  -7.817  18.633
 1252    HD1  HIS 155           1HD      HIS 155  12.476  -5.903  18.641
 1253    HD2  HIS 155           2HD      HIS 155  12.587  -7.954  15.029
 1254    HE1  HIS 155           1HE      HIS 155  14.135  -4.662  17.213
 1255    HE2  HIS 155           2HE      HIS 155  14.104  -5.860  14.997
 1256    H    HIS 156           H        HIS 156   9.191 -10.198  17.485
 1257    HA   HIS 156           HA       HIS 156   9.053 -11.589  20.081
 1258   1HB   HIS 156          2HB       HIS 156   6.466 -10.777  19.057
 1259   2HB   HIS 156          1HB       HIS 156   7.211 -10.425  20.612
 1260    HD1  HIS 156           1HD      HIS 156   6.657  -8.995  17.214
 1261    HD2  HIS 156           2HD      HIS 156   8.524  -7.944  20.773
 1262    HE1  HIS 156           1HE      HIS 156   7.183  -6.546  16.999
 1263    HE2  HIS 156           2HE      HIS 156   8.234  -5.913  19.198
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  16.500  -8.496  -7.536
    2   2H    MET   1          2HT       MET   1  17.659  -7.740  -8.507
    3   3H    MET   1          3HT       MET   1  16.795  -9.067  -9.101
    4    HA   MET   1           HA       MET   1  16.011  -6.280  -8.879
    5   1HB   MET   1          2HB       MET   1  15.880  -8.551 -10.763
    6   2HB   MET   1          1HB       MET   1  14.499  -7.466 -10.808
    7   1HG   MET   1          2HG       MET   1  16.176  -6.830 -12.442
    8   2HG   MET   1          1HG       MET   1  15.972  -5.578 -11.218
    9   1HE   MET   1          1HE       MET   1  17.889  -8.438 -12.589
   10   2HE   MET   1          2HE       MET   1  18.434  -8.984 -11.002
   11   3HE   MET   1          3HE       MET   1  19.565  -8.191 -12.099
   12    H    LYS   2           H        LYS   2  15.166  -6.990  -6.581
   13    HA   LYS   2           HA       LYS   2  12.525  -8.209  -6.718
   14   1HB   LYS   2          2HB       LYS   2  14.558  -7.897  -4.697
   15   2HB   LYS   2          1HB       LYS   2  13.017  -7.292  -4.103
   16   1HG   LYS   2          2HG       LYS   2  12.913  -9.491  -3.475
   17   2HG   LYS   2          1HG       LYS   2  12.092  -9.544  -5.035
   18   1HD   LYS   2          2HD       LYS   2  13.605 -10.969  -5.830
   19   2HD   LYS   2          1HD       LYS   2  14.915  -9.860  -5.417
   20   1HE   LYS   2          2HE       LYS   2  14.023 -11.013  -3.003
   21   2HE   LYS   2          1HE       LYS   2  14.173 -12.326  -4.169
   22   1HZ   LYS   2          1HZ       LYS   2  16.305 -10.342  -3.592
   23   2HZ   LYS   2          2HZ       LYS   2  16.436 -11.702  -4.588
   24   3HZ   LYS   2          3HZ       LYS   2  16.232 -11.894  -2.920
   25    H    LYS   3           H        LYS   3  10.857  -6.970  -7.217
   26    HA   LYS   3           HA       LYS   3  10.775  -4.226  -6.150
   27   1HB   LYS   3          2HB       LYS   3  10.545  -5.173  -8.887
   28   2HB   LYS   3          1HB       LYS   3   9.136  -4.240  -8.400
   29   1HG   LYS   3          2HG       LYS   3  10.947  -2.561  -7.516
   30   2HG   LYS   3          1HG       LYS   3  11.969  -3.386  -8.696
   31   1HD   LYS   3          2HD       LYS   3   9.375  -2.747  -9.806
   32   2HD   LYS   3          1HD       LYS   3  10.186  -1.305  -9.190
   33   1HE   LYS   3          2HE       LYS   3  10.673  -1.827 -11.585
   34   2HE   LYS   3          1HE       LYS   3  12.100  -1.708 -10.555
   35   1HZ   LYS   3          1HZ       LYS   3  12.594  -3.859 -10.856
   36   2HZ   LYS   3          2HZ       LYS   3  11.614  -3.738 -12.228
   37   3HZ   LYS   3          3HZ       LYS   3  10.980  -4.367 -10.791
   38    H    ILE   4           H        ILE   4   8.916  -3.564  -5.212
   39    HA   ILE   4           HA       ILE   4   6.684  -5.489  -5.150
   40    HB   ILE   4           HB       ILE   4   6.616  -3.744  -2.878
   41   1HG1  ILE   4          2HG1      ILE   4   9.126  -3.727  -3.338
   42   2HG1  ILE   4          1HG1      ILE   4   8.628  -4.247  -1.732
   43   1HG2  ILE   4          1HG2      ILE   4   6.369  -6.557  -3.549
   44   2HG2  ILE   4          2HG2      ILE   4   5.532  -5.606  -2.323
   45   3HG2  ILE   4          3HG2      ILE   4   7.115  -6.297  -1.972
   46   1HD1  ILE   4          1HD1      ILE   4  10.338  -5.714  -2.409
   47   2HD1  ILE   4          2HD1      ILE   4   9.623  -5.937  -4.004
   48   3HD1  ILE   4          3HD1      ILE   4   8.833  -6.617  -2.581
   49    H    LEU   5           H        LEU   5   5.055  -4.692  -6.310
   50    HA   LEU   5           HA       LEU   5   4.693  -1.807  -6.515
   51   1HB   LEU   5          2HB       LEU   5   4.426  -3.899  -8.314
   52   2HB   LEU   5          1HB       LEU   5   2.772  -3.448  -7.949
   53    HG   LEU   5           HG       LEU   5   4.862  -1.471  -8.853
   54   1HD1  LEU   5          1HD1      LEU   5   4.717  -2.470 -10.845
   55   2HD1  LEU   5          2HD1      LEU   5   3.103  -1.765 -10.928
   56   3HD1  LEU   5          3HD1      LEU   5   3.313  -3.425 -10.368
   57   1HD2  LEU   5          1HD2      LEU   5   2.691  -0.251  -9.501
   58   2HD2  LEU   5          2HD2      LEU   5   3.158  -0.284  -7.800
   59   3HD2  LEU   5          3HD2      LEU   5   1.903  -1.373  -8.390
   60    H    PHE   6           H        PHE   6   3.469  -0.880  -4.977
   61    HA   PHE   6           HA       PHE   6   1.238  -2.353  -3.791
   62   1HB   PHE   6          2HB       PHE   6   2.209   0.443  -3.144
   63   2HB   PHE   6          1HB       PHE   6   1.066  -0.509  -2.211
   64    HD1  PHE   6           1HD      PHE   6   2.231  -3.035  -1.705
   65    HD2  PHE   6           2HD      PHE   6   4.190   0.731  -2.091
   66    HE1  PHE   6           1HE      PHE   6   4.072  -3.845  -0.299
   67    HE2  PHE   6           2HE      PHE   6   6.036  -0.086  -0.690
   68    HZ   PHE   6           HZ       PHE   6   5.981  -2.377   0.203
   69    H    ILE   7           H        ILE   7  -0.834  -2.059  -4.478
   70    HA   ILE   7           HA       ILE   7  -1.369   0.301  -6.172
   71    HB   ILE   7           HB       ILE   7  -2.909  -2.240  -6.511
   72   1HG1  ILE   7          2HG1      ILE   7  -1.053  -2.328  -8.533
   73   2HG1  ILE   7          1HG1      ILE   7  -0.078  -1.806  -7.162
   74   1HG2  ILE   7          1HG2      ILE   7  -2.145  -0.529  -8.784
   75   2HG2  ILE   7          2HG2      ILE   7  -3.215   0.207  -7.590
   76   3HG2  ILE   7          3HG2      ILE   7  -3.690  -1.286  -8.399
   77   1HD1  ILE   7          1HD1      ILE   7  -0.202  -4.285  -7.571
   78   2HD1  ILE   7          2HD1      ILE   7  -1.883  -4.200  -7.048
   79   3HD1  ILE   7          3HD1      ILE   7  -0.591  -3.750  -5.937
   80    H    CYS   8           H        CYS   8  -2.649   1.678  -5.134
   81    HA   CYS   8           HA       CYS   8  -4.822   0.603  -3.463
   82   1HB   CYS   8          2HB       CYS   8  -2.942   2.317  -2.631
   83   2HB   CYS   8          1HB       CYS   8  -4.079   3.479  -3.307
   84    HG   CYS   8           HG       CYS   8  -6.075   3.087  -1.577
   85    H    LEU   9           H        LEU   9  -6.815   0.773  -4.234
   86    HA   LEU   9           HA       LEU   9  -7.474   1.810  -6.713
   87   1HB   LEU   9          2HB       LEU   9  -8.816   0.500  -4.622
   88   2HB   LEU   9          1HB       LEU   9  -9.741   1.954  -4.943
   89    HG   LEU   9           HG       LEU   9  -8.935   0.139  -7.192
   90   1HD1  LEU   9          1HD1      LEU   9 -11.610  -0.166  -5.943
   91   2HD1  LEU   9          2HD1      LEU   9 -10.239  -0.962  -5.171
   92   3HD1  LEU   9          3HD1      LEU   9 -10.642  -1.329  -6.848
   93   1HD2  LEU   9          1HD2      LEU   9 -11.535   1.426  -7.252
   94   2HD2  LEU   9          2HD2      LEU   9 -10.227   1.464  -8.434
   95   3HD2  LEU   9          3HD2      LEU   9 -10.217   2.583  -7.072
   96    H    GLY  10           H        GLY  10  -7.414   3.400  -3.589
   97   1HA   GLY  10          2HA       GLY  10  -8.511   5.841  -4.812
   98   2HA   GLY  10          1HA       GLY  10  -8.379   5.536  -3.081
   99    H    ASN  11           H        ASN  11  -5.673   4.620  -3.114
  100    HA   ASN  11           HA       ASN  11  -3.619   5.521  -2.715
  101   1HB   ASN  11          2HB       ASN  11  -3.993   5.400  -5.378
  102   2HB   ASN  11          1HB       ASN  11  -3.701   7.127  -5.201
  103   1HD2  ASN  11          1HD2      ASN  11  -2.350   3.966  -5.051
  104   2HD2  ASN  11          2HD2      ASN  11  -0.705   4.444  -4.829
  105    H    ILE  12           H        ILE  12  -5.942   7.064  -1.797
  106    HA   ILE  12           HA       ILE  12  -4.585   9.648  -1.460
  107    HB   ILE  12           HB       ILE  12  -6.807  10.778  -1.541
  108   1HG1  ILE  12          2HG1      ILE  12  -7.726   8.149  -2.729
  109   2HG1  ILE  12          1HG1      ILE  12  -8.162   8.739  -1.128
  110   1HG2  ILE  12          1HG2      ILE  12  -5.955  11.305  -3.530
  111   2HG2  ILE  12          2HG2      ILE  12  -6.968  10.026  -4.197
  112   3HG2  ILE  12          3HG2      ILE  12  -5.293   9.687  -3.761
  113   1HD1  ILE  12          1HD1      ILE  12  -9.963   9.144  -2.652
  114   2HD1  ILE  12          2HD1      ILE  12  -8.883   9.985  -3.765
  115   3HD1  ILE  12          3HD1      ILE  12  -9.243  10.686  -2.188
  116    H    CYS  13           H        CYS  13  -5.263   7.044   0.088
  117    HA   CYS  13           HA       CYS  13  -6.054   8.428   2.545
  118   1HB   CYS  13          2HB       CYS  13  -7.537   6.328   1.155
  119   2HB   CYS  13          1HB       CYS  13  -7.200   5.930   2.834
  120    HG   CYS  13           HG       CYS  13  -9.562   6.992   3.264
  121    H    ARG  14           H        ARG  14  -5.622   4.981   1.926
  122    HA   ARG  14           HA       ARG  14  -3.716   4.794   4.066
  123   1HB   ARG  14          2HB       ARG  14  -4.094   2.537   4.014
  124   2HB   ARG  14          1HB       ARG  14  -5.579   3.105   3.262
  125   1HG   ARG  14          2HG       ARG  14  -5.099   2.136   1.304
  126   2HG   ARG  14          1HG       ARG  14  -3.397   2.596   1.374
  127   1HD   ARG  14          2HD       ARG  14  -4.754   0.213   2.594
  128   2HD   ARG  14          1HD       ARG  14  -3.387   0.253   1.482
  129    HE   ARG  14           HE       ARG  14  -3.310   0.572   4.350
  130   1HH1  ARG  14          1HH1      ARG  14  -1.644   1.079   1.330
  131   2HH1  ARG  14          2HH1      ARG  14  -0.077   1.163   2.062
  132   1HH2  ARG  14          1HH2      ARG  14  -1.250   0.680   5.319
  133   2HH2  ARG  14          2HH2      ARG  14   0.147   0.936   4.328
  134    H    SER  15           H        SER  15  -3.581   4.912   0.585
  135    HA   SER  15           HA       SER  15  -0.975   3.831   0.292
  136   1HB   SER  15          2HB       SER  15  -2.949   4.449  -1.451
  137   2HB   SER  15          1HB       SER  15  -1.855   5.806  -1.715
  138    HG   SER  15           HG       SER  15  -0.237   4.381  -2.252
  139    HA   PRO  16           HA       PRO  16   0.398   8.542   0.059
  140   1HB   PRO  16          2HB       PRO  16  -1.130  10.187   1.647
  141   2HB   PRO  16          1HB       PRO  16  -1.323  10.026  -0.101
  142   1HG   PRO  16          2HG       PRO  16  -2.859   8.705   2.103
  143   2HG   PRO  16          1HG       PRO  16  -3.459   9.428   0.597
  144   1HD   PRO  16          2HD       PRO  16  -3.201   6.781   0.853
  145   2HD   PRO  16          1HD       PRO  16  -2.821   7.596  -0.681
  146    H    MET  17           H        MET  17  -1.296   7.677   3.083
  147    HA   MET  17           HA       MET  17   0.545   8.772   4.857
  148   1HB   MET  17          2HB       MET  17  -1.800   7.328   5.068
  149   2HB   MET  17          1HB       MET  17  -0.610   6.252   5.787
  150   1HG   MET  17          2HG       MET  17  -0.359   9.006   6.697
  151   2HG   MET  17          1HG       MET  17  -1.928   8.289   7.059
  152   1HE   MET  17          1HE       MET  17  -1.002   7.821  10.370
  153   2HE   MET  17          2HE       MET  17  -1.152   9.133   9.201
  154   3HE   MET  17          3HE       MET  17   0.417   8.767   9.918
  155    H    ALA  18           H        ALA  18   0.306   5.355   3.842
  156    HA   ALA  18           HA       ALA  18   2.775   4.611   5.018
  157   1HB   ALA  18          1HB       ALA  18   0.809   3.338   3.221
  158   2HB   ALA  18          2HB       ALA  18   1.565   2.733   4.696
  159   3HB   ALA  18          3HB       ALA  18   2.453   2.699   3.171
  160    H    GLU  19           H        GLU  19   2.008   6.334   2.192
  161    HA   GLU  19           HA       GLU  19   4.136   5.586   0.500
  162   1HB   GLU  19          2HB       GLU  19   2.117   6.944  -0.156
  163   2HB   GLU  19          1HB       GLU  19   2.837   8.313   0.677
  164   1HG   GLU  19          2HG       GLU  19   3.254   8.513  -1.665
  165   2HG   GLU  19          1HG       GLU  19   4.776   8.169  -0.842
  166    H    PHE  20           H        PHE  20   3.805   8.348   2.736
  167    HA   PHE  20           HA       PHE  20   6.529   9.143   2.444
  168   1HB   PHE  20          2HB       PHE  20   4.568  10.601   3.186
  169   2HB   PHE  20          1HB       PHE  20   4.740   9.861   4.771
  170    HD1  PHE  20           1HD      PHE  20   6.761  10.263   6.114
  171    HD2  PHE  20           2HD      PHE  20   6.115  12.223   2.392
  172    HE1  PHE  20           1HE      PHE  20   8.491  11.916   6.688
  173    HE2  PHE  20           2HE      PHE  20   7.846  13.877   2.957
  174    HZ   PHE  20           HZ       PHE  20   9.036  13.725   5.109
  175    H    ILE  21           H        ILE  21   4.771   7.334   4.966
  176    HA   ILE  21           HA       ILE  21   6.873   7.039   6.766
  177    HB   ILE  21           HB       ILE  21   4.759   4.954   6.236
  178   1HG1  ILE  21          2HG1      ILE  21   4.634   7.305   8.138
  179   2HG1  ILE  21          1HG1      ILE  21   3.823   7.254   6.576
  180   1HG2  ILE  21          1HG2      ILE  21   6.938   5.017   8.007
  181   2HG2  ILE  21          2HG2      ILE  21   5.602   3.865   7.979
  182   3HG2  ILE  21          3HG2      ILE  21   5.498   5.312   8.983
  183   1HD1  ILE  21          1HD1      ILE  21   2.090   6.248   7.502
  184   2HD1  ILE  21          2HD1      ILE  21   2.897   6.318   9.070
  185   3HD1  ILE  21          3HD1      ILE  21   3.120   4.915   8.024
  186    H    MET  22           H        MET  22   5.854   4.723   4.244
  187    HA   MET  22           HA       MET  22   7.910   2.884   4.627
  188   1HB   MET  22          2HB       MET  22   6.079   3.528   2.371
  189   2HB   MET  22          1HB       MET  22   7.477   2.520   2.023
  190   1HG   MET  22          2HG       MET  22   6.124   1.649   4.414
  191   2HG   MET  22          1HG       MET  22   5.028   1.700   3.034
  192   1HE   MET  22          1HE       MET  22   5.302  -0.575   4.500
  193   2HE   MET  22          2HE       MET  22   6.816  -1.480   4.526
  194   3HE   MET  22          3HE       MET  22   5.568  -1.885   3.348
  195    H    LYS  23           H        LYS  23   7.771   5.687   2.447
  196    HA   LYS  23           HA       LYS  23  10.154   5.378   1.100
  197   1HB   LYS  23          2HB       LYS  23   8.576   7.151   0.566
  198   2HB   LYS  23          1HB       LYS  23   8.891   7.934   2.107
  199   1HG   LYS  23          2HG       LYS  23  11.385   7.872   1.127
  200   2HG   LYS  23          1HG       LYS  23  10.472   7.937  -0.381
  201   1HD   LYS  23          2HD       LYS  23   9.489   9.988   0.168
  202   2HD   LYS  23          1HD       LYS  23   9.879   9.818   1.880
  203   1HE   LYS  23          2HE       LYS  23  12.352   9.746   0.719
  204   2HE   LYS  23          1HE       LYS  23  11.489  10.874  -0.326
  205   1HZ   LYS  23          1HZ       LYS  23  12.658  11.878   1.632
  206   2HZ   LYS  23          2HZ       LYS  23  11.520  11.120   2.627
  207   3HZ   LYS  23          3HZ       LYS  23  11.017  12.272   1.497
  208    H    ASP  24           H        ASP  24   9.612   6.625   4.348
  209    HA   ASP  24           HA       ASP  24  12.318   7.449   4.750
  210   1HB   ASP  24          2HB       ASP  24   9.841   7.388   6.306
  211   2HB   ASP  24          1HB       ASP  24  11.282   7.087   7.274
  212    H    LEU  25           H        LEU  25  10.450   4.752   6.118
  213    HA   LEU  25           HA       LEU  25  12.619   3.532   7.418
  214   1HB   LEU  25          2HB       LEU  25  10.152   3.270   7.885
  215   2HB   LEU  25          1HB       LEU  25  10.103   2.150   6.537
  216    HG   LEU  25           HG       LEU  25  12.209   1.419   8.367
  217   1HD1  LEU  25          1HD1      LEU  25  10.541   2.645   9.894
  218   2HD1  LEU  25          2HD1      LEU  25  11.062   1.023  10.350
  219   3HD1  LEU  25          3HD1      LEU  25   9.484   1.264   9.600
  220   1HD2  LEU  25          1HD2      LEU  25  11.573  -0.600   7.677
  221   2HD2  LEU  25          2HD2      LEU  25  10.412   0.217   6.631
  222   3HD2  LEU  25          3HD2      LEU  25   9.917  -0.344   8.228
  223    H    VAL  26           H        VAL  26  11.629   3.256   4.082
  224    HA   VAL  26           HA       VAL  26  12.520   0.677   3.530
  225    HB   VAL  26           HB       VAL  26  12.991   1.524   1.185
  226   1HG1  VAL  26          1HG1      VAL  26  10.898   0.901   0.812
  227   2HG1  VAL  26          2HG1      VAL  26  10.280   2.398   1.512
  228   3HG1  VAL  26          3HG1      VAL  26  10.598   1.006   2.547
  229   1HG2  VAL  26          1HG2      VAL  26  13.501   3.787   1.464
  230   2HG2  VAL  26          2HG2      VAL  26  12.093   4.070   2.488
  231   3HG2  VAL  26          3HG2      VAL  26  11.885   3.786   0.760
  232    H    LYS  27           H        LYS  27  14.392   3.710   3.300
  233    HA   LYS  27           HA       LYS  27  16.773   2.690   2.378
  234   1HB   LYS  27          2HB       LYS  27  16.297   5.092   2.716
  235   2HB   LYS  27          1HB       LYS  27  16.448   4.864   4.451
  236   1HG   LYS  27          2HG       LYS  27  18.761   3.915   2.944
  237   2HG   LYS  27          1HG       LYS  27  18.451   5.643   2.770
  238   1HD   LYS  27          2HD       LYS  27  18.297   5.750   5.285
  239   2HD   LYS  27          1HD       LYS  27  18.903   4.092   5.312
  240   1HE   LYS  27          2HE       LYS  27  21.004   4.718   4.798
  241   2HE   LYS  27          1HE       LYS  27  20.467   5.957   3.666
  242   1HZ   LYS  27          1HZ       LYS  27  20.268   7.517   5.331
  243   2HZ   LYS  27          2HZ       LYS  27  21.631   6.656   5.839
  244   3HZ   LYS  27          3HZ       LYS  27  20.131   6.364   6.563
  245    H    LYS  28           H        LYS  28  15.406   2.394   5.574
  246    HA   LYS  28           HA       LYS  28  17.772   1.703   6.949
  247   1HB   LYS  28          2HB       LYS  28  15.569   2.449   7.944
  248   2HB   LYS  28          1HB       LYS  28  14.991   0.810   7.680
  249   1HG   LYS  28          2HG       LYS  28  17.545   1.080   9.134
  250   2HG   LYS  28          1HG       LYS  28  16.093   1.632   9.971
  251   1HD   LYS  28          2HD       LYS  28  15.659  -0.911   8.664
  252   2HD   LYS  28          1HD       LYS  28  17.026  -0.985   9.778
  253   1HE   LYS  28          2HE       LYS  28  14.529   0.342  10.697
  254   2HE   LYS  28          1HE       LYS  28  14.544  -1.418  10.586
  255   1HZ   LYS  28          1HZ       LYS  28  16.719  -0.002  11.984
  256   2HZ   LYS  28          2HZ       LYS  28  16.172  -1.589  12.192
  257   3HZ   LYS  28          3HZ       LYS  28  15.252  -0.295  12.775
  258    H    ALA  29           H        ALA  29  15.154  -0.449   5.732
  259    HA   ALA  29           HA       ALA  29  17.169  -2.596   5.656
  260   1HB   ALA  29          1HB       ALA  29  15.989  -3.115   7.597
  261   2HB   ALA  29          2HB       ALA  29  15.278  -4.153   6.362
  262   3HB   ALA  29          3HB       ALA  29  14.436  -2.690   6.876
  263    H    ASN  30           H        ASN  30  16.001  -0.924   3.476
  264    HA   ASN  30           HA       ASN  30  14.990  -3.164   1.858
  265   1HB   ASN  30          2HB       ASN  30  13.961  -0.321   1.761
  266   2HB   ASN  30          1HB       ASN  30  13.481  -1.617   0.670
  267   1HD2  ASN  30          1HD2      ASN  30  13.705  -0.928   4.145
  268   2HD2  ASN  30          2HD2      ASN  30  12.220  -1.703   4.566
  269    H    LEU  31           H        LEU  31  16.193   0.186   1.569
  270    HA   LEU  31           HA       LEU  31  17.206  -0.184  -1.054
  271   1HB   LEU  31          2HB       LEU  31  16.663   1.996   0.319
  272   2HB   LEU  31          1HB       LEU  31  18.345   1.867   0.795
  273    HG   LEU  31           HG       LEU  31  18.948   1.846  -1.646
  274   1HD1  LEU  31          1HD1      LEU  31  17.331   1.572  -3.137
  275   2HD1  LEU  31          2HD1      LEU  31  16.714   3.165  -2.702
  276   3HD1  LEU  31          3HD1      LEU  31  16.093   1.728  -1.890
  277   1HD2  LEU  31          1HD2      LEU  31  17.717   4.151  -0.218
  278   2HD2  LEU  31          2HD2      LEU  31  18.206   4.354  -1.901
  279   3HD2  LEU  31          3HD2      LEU  31  19.396   3.878  -0.688
  280    H    GLU  32           H        GLU  32  18.251  -1.415   1.842
  281    HA   GLU  32           HA       GLU  32  21.085  -1.232   1.443
  282   1HB   GLU  32          2HB       GLU  32  19.705  -3.266   3.183
  283   2HB   GLU  32          1HB       GLU  32  21.298  -2.550   3.389
  284   1HG   GLU  32          2HG       GLU  32  18.924  -0.762   3.466
  285   2HG   GLU  32          1HG       GLU  32  19.250  -1.798   4.856
  286    H    LYS  33           H        LYS  33  18.560  -3.545   0.680
  287    HA   LYS  33           HA       LYS  33  20.545  -5.363  -0.490
  288   1HB   LYS  33          2HB       LYS  33  17.639  -6.031  -0.417
  289   2HB   LYS  33          1HB       LYS  33  19.035  -7.089  -0.261
  290   1HG   LYS  33          2HG       LYS  33  18.366  -7.148   1.889
  291   2HG   LYS  33          1HG       LYS  33  19.321  -5.666   1.984
  292   1HD   LYS  33          2HD       LYS  33  17.274  -5.141   3.016
  293   2HD   LYS  33          1HD       LYS  33  17.167  -4.435   1.403
  294   1HE   LYS  33          2HE       LYS  33  15.161  -5.474   1.396
  295   2HE   LYS  33          1HE       LYS  33  16.133  -6.861   0.903
  296   1HZ   LYS  33          1HZ       LYS  33  14.590  -7.376   2.719
  297   2HZ   LYS  33          2HZ       LYS  33  15.366  -6.242   3.704
  298   3HZ   LYS  33          3HZ       LYS  33  16.203  -7.612   3.173
  299    H    GLU  34           H        GLU  34  19.366  -2.724  -1.524
  300    HA   GLU  34           HA       GLU  34  18.837  -1.802  -3.526
  301   1HB   GLU  34          2HB       GLU  34  20.361  -4.180  -4.139
  302   2HB   GLU  34          1HB       GLU  34  19.190  -3.846  -5.407
  303   1HG   GLU  34          2HG       GLU  34  20.087  -1.465  -5.384
  304   2HG   GLU  34          1HG       GLU  34  21.419  -2.103  -4.421
  305    H    PHE  35           H        PHE  35  16.657  -2.486  -2.211
  306    HA   PHE  35           HA       PHE  35  14.941  -3.986  -4.065
  307   1HB   PHE  35          2HB       PHE  35  14.797  -3.368  -1.140
  308   2HB   PHE  35          1HB       PHE  35  13.298  -3.640  -2.020
  309    HD1  PHE  35           1HD      PHE  35  12.538  -5.684  -1.234
  310    HD2  PHE  35           2HD      PHE  35  16.595  -5.302  -2.464
  311    HE1  PHE  35           1HE      PHE  35  12.836  -8.114  -0.993
  312    HE2  PHE  35           2HE      PHE  35  16.899  -7.733  -2.227
  313    HZ   PHE  35           HZ       PHE  35  15.018  -9.141  -1.490
  314    H    PHE  36           H        PHE  36  13.230  -3.038  -5.085
  315    HA   PHE  36           HA       PHE  36  12.895  -0.139  -4.655
  316   1HB   PHE  36          2HB       PHE  36  13.805  -1.264  -6.931
  317   2HB   PHE  36          1HB       PHE  36  12.074  -1.302  -7.252
  318    HD1  PHE  36           1HD      PHE  36  14.943   0.894  -6.532
  319    HD2  PHE  36           2HD      PHE  36  10.870   0.678  -7.750
  320    HE1  PHE  36           1HE      PHE  36  15.024   3.258  -7.210
  321    HE2  PHE  36           2HE      PHE  36  10.944   3.041  -8.430
  322    HZ   PHE  36           HZ       PHE  36  13.023   4.334  -8.160
  323    H    ILE  37           H        ILE  37  10.858   0.696  -4.480
  324    HA   ILE  37           HA       ILE  37   8.613  -1.204  -4.640
  325    HB   ILE  37           HB       ILE  37   7.579  -0.152  -2.696
  326   1HG1  ILE  37          2HG1      ILE  37   9.670   1.208  -1.439
  327   2HG1  ILE  37          1HG1      ILE  37   9.708   1.783  -3.102
  328   1HG2  ILE  37          1HG2      ILE  37   9.619  -0.759  -1.058
  329   2HG2  ILE  37          2HG2      ILE  37  10.193  -1.510  -2.547
  330   3HG2  ILE  37          3HG2      ILE  37   8.630  -1.972  -1.873
  331   1HD1  ILE  37          1HD1      ILE  37   7.035   1.686  -1.918
  332   2HD1  ILE  37          2HD1      ILE  37   7.819   2.951  -2.864
  333   3HD1  ILE  37          3HD1      ILE  37   8.151   2.807  -1.138
  334    H    ASN  38           H        ASN  38   6.602  -0.347  -5.247
  335    HA   ASN  38           HA       ASN  38   6.633   2.417  -6.247
  336   1HB   ASN  38          2HB       ASN  38   5.102   0.352  -7.762
  337   2HB   ASN  38          1HB       ASN  38   5.853   1.838  -8.336
  338   1HD2  ASN  38          1HD2      ASN  38   6.136  -1.506  -8.040
  339   2HD2  ASN  38          2HD2      ASN  38   7.765  -1.668  -8.593
  340    H    SER  39           H        SER  39   4.308   3.094  -6.857
  341    HA   SER  39           HA       SER  39   2.161   1.853  -5.431
  342   1HB   SER  39          2HB       SER  39   3.365   3.006  -3.575
  343   2HB   SER  39          1HB       SER  39   3.116   4.538  -4.410
  344    HG   SER  39           HG       SER  39   0.924   2.872  -3.838
  345    H    ALA  40           H        ALA  40   0.342   2.271  -6.512
  346    HA   ALA  40           HA       ALA  40  -0.263   4.845  -7.602
  347   1HB   ALA  40          1HB       ALA  40  -0.200   4.354  -9.924
  348   2HB   ALA  40          2HB       ALA  40   0.171   2.657  -9.622
  349   3HB   ALA  40          3HB       ALA  40   1.370   3.899  -9.262
  350    H    GLY  41           H        GLY  41  -2.295   4.676  -9.050
  351   1HA   GLY  41          2HA       GLY  41  -4.166   2.908  -7.654
  352   2HA   GLY  41          1HA       GLY  41  -4.596   4.313  -8.619
  353    H    THR  42           H        THR  42  -6.151   2.387  -9.239
  354    HA   THR  42           HA       THR  42  -5.069   0.500 -11.109
  355    HB   THR  42           HB       THR  42  -7.000  -0.141  -9.801
  356    HG1  THR  42           1HG      THR  42  -7.998   0.152 -12.431
  357   1HG2  THR  42          1HG2      THR  42  -7.974   2.453 -10.599
  358   2HG2  THR  42          2HG2      THR  42  -8.570   1.373  -9.337
  359   3HG2  THR  42          3HG2      THR  42  -9.148   1.197 -10.994
  360    H    SER  43           H        SER  43  -6.859   3.545 -11.365
  361    HA   SER  43           HA       SER  43  -6.429   3.439 -14.280
  362   1HB   SER  43          2HB       SER  43  -8.569   5.177 -13.139
  363   2HB   SER  43          1HB       SER  43  -8.506   4.341 -14.691
  364    HG   SER  43           HG       SER  43  -9.959   3.518 -12.909
  365    H    GLY  44           H        GLY  44  -5.439   4.920 -11.499
  366   1HA   GLY  44          2HA       GLY  44  -4.246   6.822 -11.050
  367   2HA   GLY  44          1HA       GLY  44  -3.847   6.817 -12.760
  368    H    GLU  45           H        GLU  45  -7.190   7.009 -11.986
  369    HA   GLU  45           HA       GLU  45  -7.566   9.441 -13.318
  370   1HB   GLU  45          2HB       GLU  45  -9.221   7.707 -11.560
  371   2HB   GLU  45          1HB       GLU  45  -9.767   9.363 -11.786
  372   1HG   GLU  45          2HG       GLU  45  -9.652   8.984 -14.249
  373   2HG   GLU  45          1HG       GLU  45  -9.316   7.287 -13.912
  374    H    HIS  46           H        HIS  46  -7.944   8.847  -9.827
  375    HA   HIS  46           HA       HIS  46  -7.032  11.607  -9.347
  376   1HB   HIS  46          2HB       HIS  46  -9.470  10.374  -8.590
  377   2HB   HIS  46          1HB       HIS  46  -8.522  10.572  -7.121
  378    HD1  HIS  46           1HD      HIS  46  -9.750  12.503  -6.087
  379    HD2  HIS  46           2HD      HIS  46  -8.638  13.237 -10.022
  380    HE1  HIS  46           1HE      HIS  46 -10.257  14.934  -6.487
  381    HE2  HIS  46           2HE      HIS  46  -9.508  15.372  -8.852
  382    H    ASP  47           H        ASP  47  -6.789   8.259  -8.565
  383    HA   ASP  47           HA       ASP  47  -5.561   8.083  -6.160
  384   1HB   ASP  47          2HB       ASP  47  -4.220   6.579  -8.344
  385   2HB   ASP  47          1HB       ASP  47  -4.855   6.003  -6.804
  386    H    GLY  48           H        GLY  48  -4.069   9.452  -5.347
  387   1HA   GLY  48          2HA       GLY  48  -1.527   9.565  -5.442
  388   2HA   GLY  48          1HA       GLY  48  -1.786  10.174  -7.067
  389    H    GLU  49           H        GLU  49  -4.270  11.298  -5.176
  390    HA   GLU  49           HA       GLU  49  -3.506  13.974  -5.338
  391   1HB   GLU  49          2HB       GLU  49  -5.746  12.529  -4.399
  392   2HB   GLU  49          1HB       GLU  49  -5.253  13.593  -3.091
  393   1HG   GLU  49          2HG       GLU  49  -5.224  15.009  -5.586
  394   2HG   GLU  49          1HG       GLU  49  -6.787  14.234  -5.333
  395    H    GLY  50           H        GLY  50  -4.001  12.392  -2.182
  396   1HA   GLY  50          2HA       GLY  50  -1.705  12.270  -0.937
  397   2HA   GLY  50          1HA       GLY  50  -1.788  14.013  -1.137
  398    H    MET  51           H        MET  51  -2.663  11.371   0.770
  399    HA   MET  51           HA       MET  51  -3.798  11.105   2.706
  400   1HB   MET  51          2HB       MET  51  -3.278  12.629   4.287
  401   2HB   MET  51          1HB       MET  51  -2.294  13.317   3.006
  402   1HG   MET  51          2HG       MET  51  -4.507  14.644   2.482
  403   2HG   MET  51          1HG       MET  51  -4.842  14.291   4.176
  404   1HE   MET  51          1HE       MET  51  -3.893  17.961   3.618
  405   2HE   MET  51          2HE       MET  51  -4.629  16.789   2.525
  406   3HE   MET  51          3HE       MET  51  -3.009  17.404   2.196
  407    H    HIS  52           H        HIS  52  -5.740  11.864   4.035
  408    HA   HIS  52           HA       HIS  52  -7.832  13.094   2.411
  409   1HB   HIS  52          2HB       HIS  52  -7.637  10.359   2.491
  410   2HB   HIS  52          1HB       HIS  52  -8.746  10.680   3.820
  411    HD1  HIS  52           1HD      HIS  52  -9.252   9.439   0.803
  412    HD2  HIS  52           2HD      HIS  52 -10.476  13.090   2.361
  413    HE1  HIS  52           1HE      HIS  52 -11.240  10.125  -0.574
  414    HE2  HIS  52           2HE      HIS  52 -12.044  12.268   0.478
  415    H    TYR  53           H        TYR  53  -9.976  12.501   4.105
  416    HA   TYR  53           HA       TYR  53  -9.865  14.487   6.002
  417   1HB   TYR  53          2HB       TYR  53 -11.550  11.984   5.927
  418   2HB   TYR  53          1HB       TYR  53 -11.799  13.275   7.097
  419    HD1  TYR  53           1HD      TYR  53 -11.663  15.720   5.707
  420    HD2  TYR  53           2HD      TYR  53 -13.157  12.000   4.285
  421    HE1  TYR  53           1HE      TYR  53 -13.084  16.915   4.093
  422    HE2  TYR  53           2HE      TYR  53 -14.581  13.183   2.667
  423    HH   TYR  53           HH       TYR  53 -15.609  15.440   2.425
  424    H    GLY  54           H        GLY  54 -10.077  11.086   7.004
  425   1HA   GLY  54          2HA       GLY  54  -9.101  11.537   9.591
  426   2HA   GLY  54          1HA       GLY  54  -9.197   9.974   8.801
  427    H    THR  55           H        THR  55  -7.380  10.506   6.660
  428    HA   THR  55           HA       THR  55  -4.970   9.794   7.873
  429    HB   THR  55           HB       THR  55  -5.284  11.088   5.156
  430    HG1  THR  55           1HG      THR  55  -6.456   9.316   4.883
  431   1HG2  THR  55          1HG2      THR  55  -3.041  10.960   5.188
  432   2HG2  THR  55          2HG2      THR  55  -3.280   9.223   4.990
  433   3HG2  THR  55          3HG2      THR  55  -3.032   9.901   6.600
  434    H    LYS  56           H        LYS  56  -5.919  12.929   6.472
  435    HA   LYS  56           HA       LYS  56  -3.585  14.319   7.144
  436   1HB   LYS  56          2HB       LYS  56  -4.638  16.165   6.329
  437   2HB   LYS  56          1HB       LYS  56  -5.754  14.961   5.706
  438   1HG   LYS  56          2HG       LYS  56  -7.368  16.105   6.707
  439   2HG   LYS  56          1HG       LYS  56  -6.722  15.520   8.241
  440   1HD   LYS  56          2HD       LYS  56  -6.300  17.631   8.799
  441   2HD   LYS  56          1HD       LYS  56  -5.104  17.689   7.502
  442   1HE   LYS  56          2HE       LYS  56  -7.927  18.048   6.707
  443   2HE   LYS  56          1HE       LYS  56  -7.211  19.351   7.655
  444   1HZ   LYS  56          1HZ       LYS  56  -5.693  19.827   6.019
  445   2HZ   LYS  56          2HZ       LYS  56  -7.026  19.369   5.085
  446   3HZ   LYS  56          3HZ       LYS  56  -5.756  18.281   5.334
  447    H    ASN  57           H        ASN  57  -6.383  13.451   9.019
  448    HA   ASN  57           HA       ASN  57  -6.091  15.244  11.154
  449   1HB   ASN  57          2HB       ASN  57  -8.121  14.157  11.228
  450   2HB   ASN  57          1HB       ASN  57  -7.432  12.606  10.763
  451   1HD2  ASN  57          1HD2      ASN  57  -6.731  11.216  12.314
  452   2HD2  ASN  57          2HD2      ASN  57  -6.936  11.487  14.008
  453    H    LYS  58           H        LYS  58  -4.844  11.935  10.733
  454    HA   LYS  58           HA       LYS  58  -3.480  11.864  13.214
  455   1HB   LYS  58          2HB       LYS  58  -3.347  10.233  10.703
  456   2HB   LYS  58          1HB       LYS  58  -2.133  10.007  11.954
  457   1HG   LYS  58          2HG       LYS  58  -5.102   9.594  12.178
  458   2HG   LYS  58          1HG       LYS  58  -3.829   8.380  12.291
  459   1HD   LYS  58          2HD       LYS  58  -3.947  10.678  14.217
  460   2HD   LYS  58          1HD       LYS  58  -4.927   9.232  14.467
  461   1HE   LYS  58          2HE       LYS  58  -3.170   8.276  15.431
  462   2HE   LYS  58          1HE       LYS  58  -2.344   8.313  13.872
  463   1HZ   LYS  58          1HZ       LYS  58  -1.620   9.650  16.174
  464   2HZ   LYS  58          2HZ       LYS  58  -2.219  10.849  15.144
  465   3HZ   LYS  58          3HZ       LYS  58  -0.955   9.850  14.630
  466    H    LEU  59           H        LEU  59  -2.539  12.881   9.978
  467    HA   LEU  59           HA       LEU  59   0.226  13.124  10.490
  468   1HB   LEU  59          2HB       LEU  59  -1.356  14.778   8.528
  469   2HB   LEU  59          1HB       LEU  59   0.353  14.388   8.459
  470    HG   LEU  59           HG       LEU  59  -1.939  12.462   8.064
  471   1HD1  LEU  59          1HD1      LEU  59  -1.847  13.228   5.976
  472   2HD1  LEU  59          2HD1      LEU  59  -0.298  12.391   5.858
  473   3HD1  LEU  59          3HD1      LEU  59  -0.345  14.105   6.273
  474   1HD2  LEU  59          1HD2      LEU  59  -0.052  11.410   9.232
  475   2HD2  LEU  59          2HD2      LEU  59   1.028  11.941   7.943
  476   3HD2  LEU  59          3HD2      LEU  59  -0.256  10.782   7.597
  477    H    ALA  60           H        ALA  60  -2.393  15.529  10.537
  478    HA   ALA  60           HA       ALA  60  -0.840  17.720  11.329
  479   1HB   ALA  60          1HB       ALA  60  -3.534  17.248  10.785
  480   2HB   ALA  60          2HB       ALA  60  -2.778  18.797  11.154
  481   3HB   ALA  60          3HB       ALA  60  -3.497  17.837  12.447
  482    H    GLN  61           H        GLN  61  -2.238  15.081  13.139
  483    HA   GLN  61           HA       GLN  61  -2.114  16.156  15.719
  484   1HB   GLN  61          2HB       GLN  61  -2.700  13.652  14.552
  485   2HB   GLN  61          1HB       GLN  61  -1.464  13.359  15.768
  486   1HG   GLN  61          2HG       GLN  61  -2.904  13.631  17.432
  487   2HG   GLN  61          1HG       GLN  61  -3.531  15.130  16.746
  488   1HE2  GLN  61          1HE2      GLN  61  -3.592  11.666  15.955
  489   2HE2  GLN  61          2HE2      GLN  61  -5.288  11.598  15.631
  490    H    LEU  62           H        LEU  62   0.289  14.092  14.048
  491    HA   LEU  62           HA       LEU  62   2.394  15.436  15.557
  492   1HB   LEU  62          2HB       LEU  62   3.253  12.819  15.639
  493   2HB   LEU  62          1HB       LEU  62   2.623  13.747  16.985
  494    HG   LEU  62           HG       LEU  62   0.307  12.871  16.216
  495   1HD1  LEU  62          1HD1      LEU  62   2.193  11.061  14.744
  496   2HD1  LEU  62          2HD1      LEU  62   0.769  11.904  14.133
  497   3HD1  LEU  62          3HD1      LEU  62   0.582  10.537  15.232
  498   1HD2  LEU  62          1HD2      LEU  62   1.448  10.501  17.251
  499   2HD2  LEU  62          2HD2      LEU  62   0.565  11.758  18.117
  500   3HD2  LEU  62          3HD2      LEU  62   2.318  11.860  17.961
  501    H    ASN  63           H        ASN  63   1.547  13.143  12.996
  502    HA   ASN  63           HA       ASN  63   4.121  13.054  11.813
  503   1HB   ASN  63          2HB       ASN  63   1.521  12.614  10.344
  504   2HB   ASN  63          1HB       ASN  63   3.097  11.904  10.000
  505   1HD2  ASN  63          1HD2      ASN  63   0.154  11.275  11.240
  506   2HD2  ASN  63          2HD2      ASN  63   0.543   9.960  12.290
  507    H    ILE  64           H        ILE  64   3.475  13.553   9.082
  508    HA   ILE  64           HA       ILE  64   3.433  16.500   9.101
  509    HB   ILE  64           HB       ILE  64   4.679  14.686   7.034
  510   1HG1  ILE  64          2HG1      ILE  64   6.206  16.435   8.944
  511   2HG1  ILE  64          1HG1      ILE  64   5.725  14.806   9.411
  512   1HG2  ILE  64          1HG2      ILE  64   4.147  16.676   5.943
  513   2HG2  ILE  64          2HG2      ILE  64   5.826  16.905   6.432
  514   3HG2  ILE  64          3HG2      ILE  64   4.529  17.662   7.356
  515   1HD1  ILE  64          1HD1      ILE  64   7.764  14.326   8.576
  516   2HD1  ILE  64          2HD1      ILE  64   7.762  15.706   7.476
  517   3HD1  ILE  64          3HD1      ILE  64   6.857  14.249   7.065
  518    H    GLU  65           H        GLU  65   1.942  17.553   7.898
  519    HA   GLU  65           HA       GLU  65  -0.273  16.158   6.850
  520   1HB   GLU  65          2HB       GLU  65   0.228  18.763   7.573
  521   2HB   GLU  65          1HB       GLU  65   0.074  18.878   5.825
  522   1HG   GLU  65          2HG       GLU  65  -2.113  17.818   5.934
  523   2HG   GLU  65          1HG       GLU  65  -1.959  17.660   7.682
  524    H    HIS  66           H        HIS  66   2.683  16.197   5.616
  525    HA   HIS  66           HA       HIS  66   1.760  16.201   2.822
  526   1HB   HIS  66          2HB       HIS  66   3.510  17.922   3.493
  527   2HB   HIS  66          1HB       HIS  66   4.617  16.571   3.717
  528    HD1  HIS  66           1HD      HIS  66   3.705  18.978   1.278
  529    HD2  HIS  66           2HD      HIS  66   4.687  14.940   1.149
  530    HE1  HIS  66           1HE      HIS  66   4.371  18.524  -1.105
  531    HE2  HIS  66           2HE      HIS  66   4.923  16.066  -1.168
  532    H    LYS  67           H        LYS  67   1.498  14.236   2.057
  533    HA   LYS  67           HA       LYS  67   3.488  12.184   2.741
  534   1HB   LYS  67          2HB       LYS  67   0.618  12.160   3.235
  535   2HB   LYS  67          1HB       LYS  67   1.143  10.772   2.293
  536   1HG   LYS  67          2HG       LYS  67   1.213  10.146   4.576
  537   2HG   LYS  67          1HG       LYS  67   2.882  10.353   4.041
  538   1HD   LYS  67          2HD       LYS  67   2.664  12.743   4.959
  539   2HD   LYS  67          1HD       LYS  67   1.234  12.140   5.797
  540   1HE   LYS  67          2HE       LYS  67   2.441  10.862   7.229
  541   2HE   LYS  67          1HE       LYS  67   3.693  10.519   6.035
  542   1HZ   LYS  67          1HZ       LYS  67   3.691  12.456   8.082
  543   2HZ   LYS  67          2HZ       LYS  67   3.820  13.237   6.586
  544   3HZ   LYS  67          3HZ       LYS  67   4.939  12.044   7.017
  545    H    ASN  68           H        ASN  68   3.963  13.517   0.547
  546    HA   ASN  68           HA       ASN  68   4.376  13.323  -1.674
  547   1HB   ASN  68          2HB       ASN  68   3.729  10.559  -0.853
  548   2HB   ASN  68          1HB       ASN  68   3.608  10.888  -2.580
  549   1HD2  ASN  68          1HD2      ASN  68   5.500  11.941  -3.575
  550   2HD2  ASN  68          2HD2      ASN  68   7.071  11.496  -3.010
  551    H    PHE  69           H        PHE  69   3.260  14.404  -3.129
  552    HA   PHE  69           HA       PHE  69   0.422  13.711  -3.555
  553   1HB   PHE  69          2HB       PHE  69   1.724  16.445  -3.699
  554   2HB   PHE  69          1HB       PHE  69   0.053  16.101  -4.132
  555    HD1  PHE  69           1HD      PHE  69  -1.581  16.428  -2.553
  556    HD2  PHE  69           2HD      PHE  69   2.410  15.710  -1.263
  557    HE1  PHE  69           1HE      PHE  69  -2.269  16.815  -0.224
  558    HE2  PHE  69           2HE      PHE  69   1.728  16.093   1.070
  559    HZ   PHE  69           HZ       PHE  69  -0.614  16.646   1.591
  560    H    THR  70           H        THR  70   1.032  12.282  -5.253
  561    HA   THR  70           HA       THR  70   1.455  13.661  -7.784
  562    HB   THR  70           HB       THR  70   3.146  11.242  -7.214
  563    HG1  THR  70           1HG      THR  70   4.695  13.362  -7.150
  564   1HG2  THR  70          1HG2      THR  70   2.652  12.154  -9.561
  565   2HG2  THR  70          2HG2      THR  70   4.339  11.867  -9.134
  566   3HG2  THR  70          3HG2      THR  70   3.690  13.508  -9.111
  567    H    SER  71           H        SER  71  -0.311  13.038  -8.864
  568    HA   SER  71           HA       SER  71  -1.739  10.662  -8.415
  569   1HB   SER  71          2HB       SER  71  -3.056  11.254 -10.335
  570   2HB   SER  71          1HB       SER  71  -2.640  12.750  -9.498
  571    HG   SER  71           HG       SER  71  -1.849  11.821 -11.983
  572    H    LYS  72           H        LYS  72  -1.071   8.666  -8.808
  573    HA   LYS  72           HA       LYS  72   0.622   8.188 -11.168
  574   1HB   LYS  72          2HB       LYS  72   0.467   6.728  -8.533
  575   2HB   LYS  72          1HB       LYS  72   1.307   6.082  -9.936
  576   1HG   LYS  72          2HG       LYS  72   2.429   8.524  -9.802
  577   2HG   LYS  72          1HG       LYS  72   2.076   8.245  -8.096
  578   1HD   LYS  72          2HD       LYS  72   3.284   6.123  -8.186
  579   2HD   LYS  72          1HD       LYS  72   3.615   6.376  -9.900
  580   1HE   LYS  72          2HE       LYS  72   4.641   8.636  -9.031
  581   2HE   LYS  72          1HE       LYS  72   4.770   7.742  -7.516
  582   1HZ   LYS  72          1HZ       LYS  72   6.638   6.890  -8.315
  583   2HZ   LYS  72          2HZ       LYS  72   6.377   7.555  -9.849
  584   3HZ   LYS  72          3HZ       LYS  72   5.723   6.044  -9.461
  585    H    LYS  73           H        LYS  73   0.168   6.454 -12.527
  586    HA   LYS  73           HA       LYS  73  -2.428   5.132 -12.094
  587   1HB   LYS  73          2HB       LYS  73  -2.662   5.246 -14.638
  588   2HB   LYS  73          1HB       LYS  73  -2.915   6.732 -13.742
  589   1HG   LYS  73          2HG       LYS  73  -0.605   7.406 -14.258
  590   2HG   LYS  73          1HG       LYS  73  -0.431   5.955 -15.248
  591   1HD   LYS  73          2HD       LYS  73  -1.647   6.816 -16.941
  592   2HD   LYS  73          1HD       LYS  73  -2.795   7.597 -15.851
  593   1HE   LYS  73          2HE       LYS  73  -0.059   8.716 -15.913
  594   2HE   LYS  73          1HE       LYS  73  -1.034   8.948 -17.363
  595   1HZ   LYS  73          1HZ       LYS  73  -2.729   9.571 -15.325
  596   2HZ   LYS  73          2HZ       LYS  73  -1.898  10.680 -16.293
  597   3HZ   LYS  73          3HZ       LYS  73  -1.251  10.210 -14.803
  598    H    LEU  74           H        LEU  74  -1.541   3.196 -11.423
  599    HA   LEU  74           HA       LEU  74   0.623   1.866 -12.571
  600   1HB   LEU  74          2HB       LEU  74   0.049   0.908 -10.583
  601   2HB   LEU  74          1HB       LEU  74  -1.671   1.102 -10.861
  602    HG   LEU  74           HG       LEU  74  -0.522  -0.838 -12.685
  603   1HD1  LEU  74          1HD1      LEU  74  -0.537  -2.329 -10.329
  604   2HD1  LEU  74          2HD1      LEU  74   0.435  -0.901  -9.972
  605   3HD1  LEU  74          3HD1      LEU  74   0.856  -1.935 -11.337
  606   1HD2  LEU  74          1HD2      LEU  74  -2.329  -2.163 -11.188
  607   2HD2  LEU  74          2HD2      LEU  74  -2.755  -1.123 -12.547
  608   3HD2  LEU  74          3HD2      LEU  74  -2.840  -0.500 -10.899
  609    H    THR  75           H        THR  75   0.899   0.764 -14.411
  610    HA   THR  75           HA       THR  75  -1.495  -0.028 -15.938
  611    HB   THR  75           HB       THR  75  -0.021   0.398 -18.009
  612    HG1  THR  75           1HG      THR  75   1.240   2.432 -16.620
  613   1HG2  THR  75          1HG2      THR  75  -1.432   2.389 -16.316
  614   2HG2  THR  75          2HG2      THR  75  -1.788   1.841 -17.954
  615   3HG2  THR  75          3HG2      THR  75  -0.487   2.999 -17.675
  616    H    GLN  76           H        GLN  76  -0.466  -1.403 -17.966
  617    HA   GLN  76           HA       GLN  76   0.304  -3.856 -16.808
  618   1HB   GLN  76          2HB       GLN  76  -0.407  -2.873 -19.417
  619   2HB   GLN  76          1HB       GLN  76   1.008  -3.910 -19.542
  620   1HG   GLN  76          2HG       GLN  76  -0.132  -5.774 -18.966
  621   2HG   GLN  76          1HG       GLN  76  -1.219  -4.908 -17.881
  622   1HE2  GLN  76          1HE2      GLN  76  -3.059  -3.928 -18.712
  623   2HE2  GLN  76          2HE2      GLN  76  -3.686  -4.320 -20.273
  624    H    LYS  77           H        LYS  77   2.115  -1.344 -18.517
  625    HA   LYS  77           HA       LYS  77   4.580  -2.658 -18.693
  626   1HB   LYS  77          2HB       LYS  77   3.610   0.103 -18.908
  627   2HB   LYS  77          1HB       LYS  77   5.276  -0.024 -18.362
  628   1HG   LYS  77          2HG       LYS  77   5.871  -1.284 -20.326
  629   2HG   LYS  77          1HG       LYS  77   4.187  -1.320 -20.851
  630   1HD   LYS  77          2HD       LYS  77   4.722   0.501 -22.046
  631   2HD   LYS  77          1HD       LYS  77   4.624   1.357 -20.507
  632   1HE   LYS  77          2HE       LYS  77   7.193   0.152 -20.702
  633   2HE   LYS  77          1HE       LYS  77   6.872   1.015 -22.206
  634   1HZ   LYS  77          1HZ       LYS  77   7.107   2.066 -19.475
  635   2HZ   LYS  77          2HZ       LYS  77   6.116   2.882 -20.576
  636   3HZ   LYS  77          3HZ       LYS  77   7.759   2.664 -20.917
  637    H    LEU  78           H        LEU  78   3.202  -0.643 -16.132
  638    HA   LEU  78           HA       LEU  78   5.473  -0.591 -14.464
  639   1HB   LEU  78          2HB       LEU  78   2.774   0.323 -14.372
  640   2HB   LEU  78          1HB       LEU  78   3.114  -0.526 -12.878
  641    HG   LEU  78           HG       LEU  78   4.823   1.715 -13.952
  642   1HD1  LEU  78          1HD1      LEU  78   2.248   1.868 -12.815
  643   2HD1  LEU  78          2HD1      LEU  78   3.369   3.186 -13.160
  644   3HD1  LEU  78          3HD1      LEU  78   3.393   2.398 -11.582
  645   1HD2  LEU  78          1HD2      LEU  78   6.196   1.328 -12.242
  646   2HD2  LEU  78          2HD2      LEU  78   5.361  -0.212 -12.037
  647   3HD2  LEU  78          3HD2      LEU  78   4.856   1.196 -11.102
  648    H    CYS  79           H        CYS  79   2.641  -2.732 -14.530
  649    HA   CYS  79           HA       CYS  79   3.320  -4.292 -12.299
  650   1HB   CYS  79          2HB       CYS  79   1.127  -4.587 -13.028
  651   2HB   CYS  79          1HB       CYS  79   1.602  -4.739 -14.716
  652    HG   CYS  79           HG       CYS  79   1.142  -7.268 -14.615
  653    H    ASP  80           H        ASP  80   4.195  -4.542 -15.699
  654    HA   ASP  80           HA       ASP  80   5.453  -7.055 -15.598
  655   1HB   ASP  80          2HB       ASP  80   5.067  -4.992 -17.518
  656   2HB   ASP  80          1HB       ASP  80   6.786  -5.376 -17.488
  657    H    GLU  81           H        GLU  81   6.408  -3.979 -14.417
  658    HA   GLU  81           HA       GLU  81   9.235  -4.542 -14.402
  659   1HB   GLU  81          2HB       GLU  81   7.525  -2.312 -13.356
  660   2HB   GLU  81          1HB       GLU  81   9.205  -2.452 -12.854
  661   1HG   GLU  81          2HG       GLU  81   9.945  -2.287 -15.145
  662   2HG   GLU  81          1HG       GLU  81   8.275  -2.271 -15.712
  663    H    SER  82           H        SER  82   6.816  -4.050 -11.800
  664    HA   SER  82           HA       SER  82   8.514  -4.979  -9.751
  665   1HB   SER  82          2HB       SER  82   6.786  -4.503  -8.354
  666   2HB   SER  82          1HB       SER  82   6.122  -3.708  -9.780
  667    HG   SER  82           HG       SER  82   5.474  -6.217  -8.679
  668    H    ASP  83           H        ASP  83   8.216  -6.926  -8.452
  669    HA   ASP  83           HA       ASP  83   7.582  -9.237 -10.155
  670   1HB   ASP  83          2HB       ASP  83   9.805  -8.629  -8.455
  671   2HB   ASP  83          1HB       ASP  83   8.988 -10.057  -7.830
  672    H    PHE  84           H        PHE  84   6.672  -7.556  -7.303
  673    HA   PHE  84           HA       PHE  84   4.791  -9.728  -6.653
  674   1HB   PHE  84          2HB       PHE  84   6.791  -8.476  -4.937
  675   2HB   PHE  84          1HB       PHE  84   5.171  -8.382  -4.258
  676    HD1  PHE  84           1HD      PHE  84   7.760 -10.707  -5.497
  677    HD2  PHE  84           2HD      PHE  84   4.106 -10.281  -3.357
  678    HE1  PHE  84           1HE      PHE  84   7.951 -13.032  -4.715
  679    HE2  PHE  84           2HE      PHE  84   4.290 -12.605  -2.571
  680    HZ   PHE  84           HZ       PHE  84   6.215 -13.983  -3.250
  681    H    LEU  85           H        LEU  85   2.765  -9.094  -6.909
  682    HA   LEU  85           HA       LEU  85   2.115  -6.245  -6.873
  683   1HB   LEU  85          2HB       LEU  85   0.765  -8.708  -7.906
  684   2HB   LEU  85          1HB       LEU  85  -0.199  -7.285  -7.569
  685    HG   LEU  85           HG       LEU  85   0.354  -7.331  -9.910
  686   1HD1  LEU  85          1HD1      LEU  85   0.230  -5.128  -9.182
  687   2HD1  LEU  85          2HD1      LEU  85   1.774  -5.191 -10.030
  688   3HD1  LEU  85          3HD1      LEU  85   1.734  -5.241  -8.268
  689   1HD2  LEU  85          1HD2      LEU  85   3.020  -6.897 -10.220
  690   2HD2  LEU  85          2HD2      LEU  85   2.225  -8.458 -10.422
  691   3HD2  LEU  85          3HD2      LEU  85   3.005  -8.058  -8.892
  692    H    ILE  86           H        ILE  86   1.095  -5.299  -5.197
  693    HA   ILE  86           HA       ILE  86  -0.296  -7.032  -3.269
  694    HB   ILE  86           HB       ILE  86   1.582  -4.779  -2.566
  695   1HG1  ILE  86          2HG1      ILE  86   1.799  -7.694  -1.819
  696   2HG1  ILE  86          1HG1      ILE  86   2.533  -7.044  -3.282
  697   1HG2  ILE  86          1HG2      ILE  86   0.658  -6.451  -0.384
  698   2HG2  ILE  86          2HG2      ILE  86  -0.667  -5.602  -1.180
  699   3HG2  ILE  86          3HG2      ILE  86   0.694  -4.693  -0.523
  700   1HD1  ILE  86          1HD1      ILE  86   3.557  -5.326  -1.552
  701   2HD1  ILE  86          2HD1      ILE  86   4.300  -6.892  -1.879
  702   3HD1  ILE  86          3HD1      ILE  86   3.291  -6.675  -0.447
  703    H    THR  87           H        THR  87  -2.322  -6.505  -3.169
  704    HA   THR  87           HA       THR  87  -3.089  -3.669  -3.385
  705    HB   THR  87           HB       THR  87  -5.407  -4.730  -3.961
  706    HG1  THR  87           1HG      THR  87  -5.028  -6.882  -3.745
  707   1HG2  THR  87          1HG2      THR  87  -4.771  -4.813  -6.379
  708   2HG2  THR  87          2HG2      THR  87  -3.084  -4.657  -5.886
  709   3HG2  THR  87          3HG2      THR  87  -4.228  -3.360  -5.540
  710    H    MET  88           H        MET  88  -4.710  -2.924  -1.951
  711    HA   MET  88           HA       MET  88  -5.098  -4.657   0.397
  712   1HB   MET  88          2HB       MET  88  -5.380  -1.708   0.666
  713   2HB   MET  88          1HB       MET  88  -4.748  -2.886   1.809
  714   1HG   MET  88          2HG       MET  88  -2.807  -1.864   1.288
  715   2HG   MET  88          1HG       MET  88  -2.829  -3.042  -0.024
  716   1HE   MET  88          1HE       MET  88  -0.973  -0.343  -1.120
  717   2HE   MET  88          2HE       MET  88  -1.706  -0.990  -2.588
  718   3HE   MET  88          3HE       MET  88  -1.292  -2.072  -1.258
  719    H    ASP  89           H        ASP  89  -6.618  -2.890  -2.095
  720    HA   ASP  89           HA       ASP  89  -9.139  -2.563  -0.729
  721   1HB   ASP  89          2HB       ASP  89  -8.777  -2.386  -3.710
  722   2HB   ASP  89          1HB       ASP  89  -9.918  -1.521  -2.685
  723    H    ASN  90           H        ASN  90 -10.797  -3.954  -0.696
  724    HA   ASN  90           HA       ASN  90 -10.453  -6.631  -1.372
  725   1HB   ASN  90          2HB       ASN  90 -12.172  -5.465   0.220
  726   2HB   ASN  90          1HB       ASN  90 -13.199  -5.439  -1.210
  727   1HD2  ASN  90          1HD2      ASN  90 -13.208  -6.949   1.421
  728   2HD2  ASN  90          2HD2      ASN  90 -13.446  -8.595   0.950
  729    H    SER  91           H        SER  91 -11.677  -3.962  -3.247
  730    HA   SER  91           HA       SER  91 -12.722  -5.697  -5.328
  731   1HB   SER  91          2HB       SER  91 -12.495  -2.833  -5.940
  732   2HB   SER  91          1HB       SER  91 -13.896  -3.900  -6.028
  733    HG   SER  91           HG       SER  91 -12.852  -2.583  -3.749
  734    H    ASN  92           H        ASN  92  -9.826  -3.944  -4.608
  735    HA   ASN  92           HA       ASN  92  -8.801  -3.569  -7.185
  736   1HB   ASN  92          2HB       ASN  92  -7.911  -3.104  -4.596
  737   2HB   ASN  92          1HB       ASN  92  -6.745  -4.254  -5.242
  738   1HD2  ASN  92          1HD2      ASN  92  -7.622  -1.041  -5.053
  739   2HD2  ASN  92          2HD2      ASN  92  -6.601  -0.416  -6.299
  740    H    PHE  93           H        PHE  93  -8.949  -6.408  -5.166
  741    HA   PHE  93           HA       PHE  93  -7.013  -7.962  -6.502
  742   1HB   PHE  93          2HB       PHE  93  -8.206  -8.375  -4.230
  743   2HB   PHE  93          1HB       PHE  93  -9.446  -9.156  -5.206
  744    HD1  PHE  93           1HD      PHE  93  -5.737  -9.171  -4.791
  745    HD2  PHE  93           2HD      PHE  93  -9.272 -11.417  -5.552
  746    HE1  PHE  93           1HE      PHE  93  -4.412 -11.245  -4.807
  747    HE2  PHE  93           2HE      PHE  93  -7.954 -13.494  -5.567
  748    HZ   PHE  93           HZ       PHE  93  -5.520 -13.409  -5.194
  749    H    LYS  94           H        LYS  94 -10.547  -7.762  -6.876
  750    HA   LYS  94           HA       LYS  94 -10.694  -9.629  -8.997
  751   1HB   LYS  94          2HB       LYS  94 -12.952  -9.119  -9.111
  752   2HB   LYS  94          1HB       LYS  94 -12.570  -8.683  -7.453
  753   1HG   LYS  94          2HG       LYS  94 -12.116  -6.330  -8.712
  754   2HG   LYS  94          1HG       LYS  94 -13.409  -7.003  -9.706
  755   1HD   LYS  94          2HD       LYS  94 -13.769  -7.199  -6.780
  756   2HD   LYS  94          1HD       LYS  94 -13.847  -5.576  -7.469
  757   1HE   LYS  94          2HE       LYS  94 -15.343  -7.527  -9.022
  758   2HE   LYS  94          1HE       LYS  94 -15.912  -7.408  -7.357
  759   1HZ   LYS  94          1HZ       LYS  94 -15.464  -4.987  -8.985
  760   2HZ   LYS  94          2HZ       LYS  94 -16.435  -5.177  -7.614
  761   3HZ   LYS  94          3HZ       LYS  94 -16.917  -5.848  -9.091
  762    H    ASN  95           H        ASN  95 -10.012  -6.226  -8.842
  763    HA   ASN  95           HA       ASN  95 -10.464  -5.594 -11.565
  764   1HB   ASN  95          2HB       ASN  95  -9.263  -4.296  -9.223
  765   2HB   ASN  95          1HB       ASN  95  -8.530  -3.821 -10.752
  766   1HD2  ASN  95          1HD2      ASN  95 -10.799  -4.039 -12.384
  767   2HD2  ASN  95          2HD2      ASN  95 -11.905  -2.787 -11.943
  768    H    VAL  96           H        VAL  96  -7.409  -6.148  -9.802
  769    HA   VAL  96           HA       VAL  96  -5.767  -6.150 -12.081
  770    HB   VAL  96           HB       VAL  96  -4.074  -7.245 -10.672
  771   1HG1  VAL  96          1HG1      VAL  96  -5.441  -5.194  -8.967
  772   2HG1  VAL  96          2HG1      VAL  96  -4.724  -4.761 -10.519
  773   3HG1  VAL  96          3HG1      VAL  96  -3.717  -5.441  -9.242
  774   1HG2  VAL  96          1HG2      VAL  96  -4.640  -8.584  -8.995
  775   2HG2  VAL  96          2HG2      VAL  96  -6.341  -8.226  -9.289
  776   3HG2  VAL  96          3HG2      VAL  96  -5.414  -7.237  -8.160
  777    H    LEU  97           H        LEU  97  -7.832  -8.560 -10.728
  778    HA   LEU  97           HA       LEU  97  -6.678 -10.916 -11.648
  779   1HB   LEU  97          2HB       LEU  97  -9.105 -10.150 -10.478
  780   2HB   LEU  97          1HB       LEU  97  -9.548 -10.965 -11.965
  781    HG   LEU  97           HG       LEU  97  -7.797 -12.759 -11.039
  782   1HD1  LEU  97          1HD1      LEU  97  -8.596 -11.109  -8.709
  783   2HD1  LEU  97          2HD1      LEU  97  -7.098 -11.985  -9.018
  784   3HD1  LEU  97          3HD1      LEU  97  -8.539 -12.859  -8.498
  785   1HD2  LEU  97          1HD2      LEU  97  -9.608 -14.091 -10.661
  786   2HD2  LEU  97          2HD2      LEU  97 -10.397 -12.773 -11.527
  787   3HD2  LEU  97          3HD2      LEU  97 -10.479 -12.845  -9.767
  788    H    LYS  98           H        LYS  98  -8.900  -8.710 -13.324
  789    HA   LYS  98           HA       LYS  98  -8.455 -10.208 -15.811
  790   1HB   LYS  98          2HB       LYS  98 -10.806  -9.631 -14.899
  791   2HB   LYS  98          1HB       LYS  98 -10.467  -8.002 -15.467
  792   1HG   LYS  98          2HG       LYS  98 -10.915  -8.547 -17.572
  793   2HG   LYS  98          1HG       LYS  98  -9.894  -9.984 -17.497
  794   1HD   LYS  98          2HD       LYS  98 -11.938 -10.961 -17.839
  795   2HD   LYS  98          1HD       LYS  98 -11.907 -10.923 -16.075
  796   1HE   LYS  98          2HE       LYS  98 -13.765  -9.710 -16.071
  797   2HE   LYS  98          1HE       LYS  98 -12.935  -8.440 -16.968
  798   1HZ   LYS  98          1HZ       LYS  98 -14.046  -8.956 -18.805
  799   2HZ   LYS  98          2HZ       LYS  98 -15.041  -9.940 -17.855
  800   3HZ   LYS  98          3HZ       LYS  98 -13.709 -10.609 -18.655
  801    H    ASN  99           H        ASN  99  -7.285  -7.559 -14.199
  802    HA   ASN  99           HA       ASN  99  -7.032  -5.708 -16.357
  803   1HB   ASN  99          2HB       ASN  99  -6.696  -5.576 -13.625
  804   2HB   ASN  99          1HB       ASN  99  -5.043  -5.469 -14.222
  805   1HD2  ASN  99          1HD2      ASN  99  -4.340  -3.543 -14.780
  806   2HD2  ASN  99          2HD2      ASN  99  -5.322  -2.168 -15.139
  807    H    PHE 100           H        PHE 100  -4.642  -7.788 -14.701
  808    HA   PHE 100           HA       PHE 100  -2.843  -7.432 -16.984
  809   1HB   PHE 100          2HB       PHE 100  -2.229  -8.742 -14.334
  810   2HB   PHE 100          1HB       PHE 100  -1.075  -8.232 -15.562
  811    HD1  PHE 100           1HD      PHE 100  -2.036  -7.471 -12.448
  812    HD2  PHE 100           2HD      PHE 100  -1.735  -5.569 -16.245
  813    HE1  PHE 100           1HE      PHE 100  -1.828  -5.287 -11.334
  814    HE2  PHE 100           2HE      PHE 100  -1.526  -3.383 -15.136
  815    HZ   PHE 100           HZ       PHE 100  -1.570  -3.240 -12.679
  816    H    THR 101           H        THR 101  -1.334  -9.551 -17.110
  817    HA   THR 101           HA       THR 101  -2.911 -11.497 -18.410
  818    HB   THR 101           HB       THR 101  -0.597 -12.815 -18.163
  819    HG1  THR 101           1HG      THR 101   0.812 -10.612 -18.326
  820   1HG2  THR 101          1HG2      THR 101  -0.475 -12.318 -20.335
  821   2HG2  THR 101          2HG2      THR 101  -0.149 -10.620 -19.987
  822   3HG2  THR 101          3HG2      THR 101  -1.814 -11.195 -20.087
  823    H    ASN 102           H        ASN 102  -1.870 -13.923 -17.792
  824    HA   ASN 102           HA       ASN 102  -3.461 -14.772 -15.629
  825   1HB   ASN 102          2HB       ASN 102  -2.357 -16.006 -17.763
  826   2HB   ASN 102          1HB       ASN 102  -1.257 -16.544 -16.497
  827   1HD2  ASN 102          1HD2      ASN 102  -4.747 -16.088 -16.951
  828   2HD2  ASN 102          2HD2      ASN 102  -5.207 -17.598 -16.250
  829    H    THR 103           H        THR 103  -0.935 -12.918 -15.207
  830    HA   THR 103           HA       THR 103   0.499 -14.462 -13.210
  831    HB   THR 103           HB       THR 103   1.679 -12.868 -14.752
  832    HG1  THR 103           1HG      THR 103   2.633 -11.745 -12.645
  833   1HG2  THR 103          1HG2      THR 103   0.548 -10.713 -12.974
  834   2HG2  THR 103          2HG2      THR 103  -0.110 -11.090 -14.566
  835   3HG2  THR 103          3HG2      THR 103   1.551 -10.517 -14.411
  836    H    GLN 104           H        GLN 104  -2.404 -13.227 -13.094
  837    HA   GLN 104           HA       GLN 104  -2.510 -11.369 -11.020
  838   1HB   GLN 104          2HB       GLN 104  -4.632 -13.456 -11.175
  839   2HB   GLN 104          1HB       GLN 104  -4.784 -11.716 -10.985
  840   1HG   GLN 104          2HG       GLN 104  -5.429 -11.727 -13.113
  841   2HG   GLN 104          1HG       GLN 104  -3.715 -11.915 -13.484
  842   1HE2  GLN 104          1HE2      GLN 104  -5.398 -12.783 -15.331
  843   2HE2  GLN 104          2HE2      GLN 104  -5.486 -14.509 -15.356
  844    H    ASN 105           H        ASN 105  -1.652 -14.675 -10.926
  845    HA   ASN 105           HA       ASN 105  -2.434 -15.239  -8.246
  846   1HB   ASN 105          2HB       ASN 105  -0.954 -16.593 -10.376
  847   2HB   ASN 105          1HB       ASN 105  -0.319 -16.935  -8.769
  848   1HD2  ASN 105          1HD2      ASN 105  -2.678 -16.806  -7.303
  849   2HD2  ASN 105          2HD2      ASN 105  -3.691 -18.129  -7.761
  850    H    LYS 106           H        LYS 106  -0.314 -13.020  -9.307
  851    HA   LYS 106           HA       LYS 106   1.620 -13.445  -7.139
  852   1HB   LYS 106          2HB       LYS 106   1.713 -11.826  -9.673
  853   2HB   LYS 106          1HB       LYS 106   2.853 -11.546  -8.364
  854   1HG   LYS 106          2HG       LYS 106   2.885 -14.306  -8.796
  855   2HG   LYS 106          1HG       LYS 106   2.869 -13.571 -10.401
  856   1HD   LYS 106          2HD       LYS 106   5.036 -13.122 -10.190
  857   2HD   LYS 106          1HD       LYS 106   4.666 -12.072  -8.821
  858   1HE   LYS 106          2HE       LYS 106   5.194 -15.039  -8.694
  859   2HE   LYS 106          1HE       LYS 106   6.319 -13.768  -8.220
  860   1HZ   LYS 106          1HZ       LYS 106   4.838 -13.105  -6.471
  861   2HZ   LYS 106          2HZ       LYS 106   5.129 -14.765  -6.331
  862   3HZ   LYS 106          3HZ       LYS 106   3.663 -14.217  -6.971
  863    H    VAL 107           H        VAL 107  -1.232 -12.207  -7.189
  864    HA   VAL 107           HA       VAL 107  -0.538  -9.633  -5.939
  865    HB   VAL 107           HB       VAL 107  -3.304 -10.469  -6.794
  866   1HG1  VAL 107          1HG1      VAL 107  -3.612  -7.982  -6.873
  867   2HG1  VAL 107          2HG1      VAL 107  -2.019  -7.826  -6.133
  868   3HG1  VAL 107          3HG1      VAL 107  -3.319  -8.642  -5.265
  869   1HG2  VAL 107          1HG2      VAL 107  -2.806 -10.161  -8.937
  870   2HG2  VAL 107          2HG2      VAL 107  -1.108  -9.968  -8.501
  871   3HG2  VAL 107          3HG2      VAL 107  -2.164  -8.559  -8.581
  872    H    LEU 108           H        LEU 108  -1.099  -9.196  -3.860
  873    HA   LEU 108           HA       LEU 108  -2.610 -11.251  -2.391
  874   1HB   LEU 108          2HB       LEU 108  -0.981 -10.377  -0.449
  875   2HB   LEU 108          1HB       LEU 108  -0.627 -11.773  -1.449
  876    HG   LEU 108           HG       LEU 108   0.346  -9.105  -2.361
  877   1HD1  LEU 108          1HD1      LEU 108   2.459  -9.615  -1.023
  878   2HD1  LEU 108          2HD1      LEU 108   1.437 -10.668  -0.044
  879   3HD1  LEU 108          3HD1      LEU 108   1.085  -8.943  -0.146
  880   1HD2  LEU 108          1HD2      LEU 108   0.619 -11.741  -3.212
  881   2HD2  LEU 108          2HD2      LEU 108   2.166 -11.344  -2.465
  882   3HD2  LEU 108          3HD2      LEU 108   1.537 -10.344  -3.773
  883    H    LYS 109           H        LYS 109  -4.128 -10.517  -1.011
  884    HA   LYS 109           HA       LYS 109  -4.659  -7.666  -1.006
  885   1HB   LYS 109          2HB       LYS 109  -6.769  -8.468   0.240
  886   2HB   LYS 109          1HB       LYS 109  -6.599  -8.881  -1.461
  887   1HG   LYS 109          2HG       LYS 109  -5.533 -11.073  -0.521
  888   2HG   LYS 109          1HG       LYS 109  -6.414 -10.630   0.942
  889   1HD   LYS 109          2HD       LYS 109  -8.018 -10.397  -1.483
  890   2HD   LYS 109          1HD       LYS 109  -7.435 -12.037  -1.188
  891   1HE   LYS 109          2HE       LYS 109  -8.373 -11.981   1.059
  892   2HE   LYS 109          1HE       LYS 109  -8.918 -10.324   0.803
  893   1HZ   LYS 109          1HZ       LYS 109  -9.804 -12.318  -1.131
  894   2HZ   LYS 109          2HZ       LYS 109 -10.631 -10.989  -0.492
  895   3HZ   LYS 109          3HZ       LYS 109 -10.480 -12.407   0.417
  896    H    ILE 110           H        ILE 110  -4.834  -6.384   0.813
  897    HA   ILE 110           HA       ILE 110  -3.255  -7.252   3.093
  898    HB   ILE 110           HB       ILE 110  -4.153  -4.657   1.999
  899   1HG1  ILE 110          2HG1      ILE 110  -1.860  -5.469   1.736
  900   2HG1  ILE 110          1HG1      ILE 110  -1.889  -3.988   2.688
  901   1HG2  ILE 110          1HG2      ILE 110  -3.913  -5.117   4.956
  902   2HG2  ILE 110          2HG2      ILE 110  -5.213  -4.325   4.067
  903   3HG2  ILE 110          3HG2      ILE 110  -3.643  -3.536   4.223
  904   1HD1  ILE 110          1HD1      ILE 110  -1.721  -5.381   4.737
  905   2HD1  ILE 110          2HD1      ILE 110  -0.326  -5.504   3.666
  906   3HD1  ILE 110          3HD1      ILE 110  -1.527  -6.795   3.704
  907    H    THR 111           H        THR 111  -6.589  -6.672   2.273
  908    HA   THR 111           HA       THR 111  -7.673  -6.364   4.836
  909    HB   THR 111           HB       THR 111  -9.159  -7.950   2.778
  910    HG1  THR 111           1HG      THR 111  -9.649  -5.587   2.039
  911   1HG2  THR 111          1HG2      THR 111  -9.867  -6.822   5.163
  912   2HG2  THR 111          2HG2      THR 111 -10.990  -7.203   3.858
  913   3HG2  THR 111          3HG2      THR 111 -10.345  -5.570   4.019
  914    H    ASP 112           H        ASP 112  -6.628  -9.194   3.069
  915    HA   ASP 112           HA       ASP 112  -7.710 -11.056   4.993
  916   1HB   ASP 112          2HB       ASP 112  -7.016 -11.289   2.365
  917   2HB   ASP 112          1HB       ASP 112  -5.610 -12.003   3.151
  918    H    PHE 113           H        PHE 113  -4.781  -9.307   4.471
  919    HA   PHE 113           HA       PHE 113  -3.213 -10.956   6.275
  920   1HB   PHE 113          2HB       PHE 113  -2.628  -8.448   4.701
  921   2HB   PHE 113          1HB       PHE 113  -1.495  -9.092   5.881
  922    HD1  PHE 113           1HD      PHE 113  -0.694  -8.694   3.122
  923    HD2  PHE 113           2HD      PHE 113  -2.619 -12.034   4.929
  924    HE1  PHE 113           1HE      PHE 113   0.251 -10.171   1.396
  925    HE2  PHE 113           2HE      PHE 113  -1.677 -13.515   3.205
  926    HZ   PHE 113           HZ       PHE 113  -0.240 -12.583   1.435
  927    H    SER 114           H        SER 114  -5.354  -8.345   6.461
  928    HA   SER 114           HA       SER 114  -4.423  -7.731   9.179
  929   1HB   SER 114          2HB       SER 114  -5.174  -5.419   8.881
  930   2HB   SER 114          1HB       SER 114  -3.977  -5.841   7.657
  931    HG   SER 114           HG       SER 114  -5.417  -5.462   6.188
  932    HA   PRO 115           HA       PRO 115  -8.905  -9.079   9.189
  933   1HB   PRO 115          2HB       PRO 115  -8.694 -11.341  10.605
  934   2HB   PRO 115          1HB       PRO 115  -8.358 -11.308   8.869
  935   1HG   PRO 115          2HG       PRO 115  -6.445 -11.283  11.170
  936   2HG   PRO 115          1HG       PRO 115  -6.353 -12.189   9.648
  937   1HD   PRO 115          2HD       PRO 115  -5.003  -9.844  10.133
  938   2HD   PRO 115          1HD       PRO 115  -5.449 -10.419   8.515
  939    H    SER 116           H        SER 116  -6.519  -8.239  11.417
  940    HA   SER 116           HA       SER 116  -7.946  -8.564  13.851
  941   1HB   SER 116          2HB       SER 116  -5.642  -8.348  14.152
  942   2HB   SER 116          1HB       SER 116  -5.520  -7.006  13.016
  943    HG   SER 116           HG       SER 116  -5.390  -6.509  15.352
  944    H    LEU 117           H        LEU 117  -8.141  -6.289  11.301
  945    HA   LEU 117           HA       LEU 117  -9.811  -4.540  12.985
  946   1HB   LEU 117          2HB       LEU 117  -7.728  -3.925  10.988
  947   2HB   LEU 117          1HB       LEU 117  -9.179  -2.946  10.890
  948    HG   LEU 117           HG       LEU 117  -8.075  -3.212  13.602
  949   1HD1  LEU 117          1HD1      LEU 117  -5.956  -2.783  13.082
  950   2HD1  LEU 117          2HD1      LEU 117  -6.504  -1.187  12.570
  951   3HD1  LEU 117          3HD1      LEU 117  -6.351  -2.488  11.389
  952   1HD2  LEU 117          1HD2      LEU 117  -9.457  -1.240  11.909
  953   2HD2  LEU 117          2HD2      LEU 117  -8.322  -0.578  13.087
  954   3HD2  LEU 117          3HD2      LEU 117  -9.653  -1.603  13.623
  955    H    ASN 118           H        ASN 118  -9.350  -5.824   9.707
  956    HA   ASN 118           HA       ASN 118 -10.805  -6.257   8.014
  957   1HB   ASN 118          2HB       ASN 118 -11.874  -7.438  10.168
  958   2HB   ASN 118          1HB       ASN 118 -13.160  -6.282   9.833
  959   1HD2  ASN 118          1HD2      ASN 118 -11.017  -8.259   7.809
  960   2HD2  ASN 118          2HD2      ASN 118 -12.281  -8.988   6.887
  961    H    TYR 119           H        TYR 119 -10.633  -4.247   7.010
  962    HA   TYR 119           HA       TYR 119 -12.720  -2.283   7.661
  963   1HB   TYR 119          2HB       TYR 119 -11.326  -0.634   6.521
  964   2HB   TYR 119          1HB       TYR 119 -10.399  -1.460   7.769
  965    HD1  TYR 119           1HD      TYR 119 -10.947  -1.207   4.119
  966    HD2  TYR 119           2HD      TYR 119  -8.466  -2.732   7.221
  967    HE1  TYR 119           1HE      TYR 119  -9.232  -1.777   2.450
  968    HE2  TYR 119           2HE      TYR 119  -6.742  -3.304   5.564
  969    HH   TYR 119           HH       TYR 119  -6.507  -3.729   3.225
  970    H    ASP 120           H        ASP 120 -12.852  -0.838   5.391
  971    HA   ASP 120           HA       ASP 120 -13.593  -2.713   3.257
  972   1HB   ASP 120          2HB       ASP 120 -15.290  -0.395   4.219
  973   2HB   ASP 120          1HB       ASP 120 -15.653  -1.429   2.840
  974    H    GLU 121           H        GLU 121 -11.676  -2.092   2.195
  975    HA   GLU 121           HA       GLU 121 -10.419  -0.919   0.712
  976   1HB   GLU 121          2HB       GLU 121 -13.149  -0.104   0.228
  977   2HB   GLU 121          1HB       GLU 121 -12.045   1.225  -0.096
  978   1HG   GLU 121          2HG       GLU 121 -11.265   0.275  -1.954
  979   2HG   GLU 121          1HG       GLU 121 -11.148  -1.315  -1.203
  980    H    VAL 122           H        VAL 122  -8.888  -0.096   2.103
  981    HA   VAL 122           HA       VAL 122  -7.718   1.405   3.337
  982    HB   VAL 122           HB       VAL 122  -7.391   3.455   2.379
  983   1HG1  VAL 122          1HG1      VAL 122  -8.451   3.179  -0.104
  984   2HG1  VAL 122          2HG1      VAL 122  -8.512   1.518   0.487
  985   3HG1  VAL 122          3HG1      VAL 122  -6.977   2.386   0.455
  986   1HG2  VAL 122          1HG2      VAL 122  -9.579   4.382   3.029
  987   2HG2  VAL 122          2HG2      VAL 122 -10.301   3.626   1.610
  988   3HG2  VAL 122          3HG2      VAL 122  -9.085   4.887   1.413
  989    HA   PRO 123           HA       PRO 123 -10.161   2.944   6.688
  990   1HB   PRO 123          2HB       PRO 123  -8.419   4.512   7.975
  991   2HB   PRO 123          1HB       PRO 123  -8.153   2.774   7.810
  992   1HG   PRO 123          2HG       PRO 123  -6.860   5.033   6.378
  993   2HG   PRO 123          1HG       PRO 123  -6.188   3.463   6.844
  994   1HD   PRO 123          2HD       PRO 123  -7.166   4.196   4.302
  995   2HD   PRO 123          1HD       PRO 123  -6.741   2.561   4.845
  996    H    ASP 124           H        ASP 124  -9.433   5.594   7.894
  997    HA   ASP 124           HA       ASP 124 -10.071   7.773   7.879
  998   1HB   ASP 124          2HB       ASP 124  -9.454   8.829   6.016
  999   2HB   ASP 124          1HB       ASP 124  -9.378   7.282   5.181
 1000    HA   PRO 125           HA       PRO 125 -14.410   7.712   8.490
 1001   1HB   PRO 125          2HB       PRO 125 -15.106  10.309   7.961
 1002   2HB   PRO 125          1HB       PRO 125 -14.335   9.775   9.458
 1003   1HG   PRO 125          2HG       PRO 125 -13.099  11.016   7.029
 1004   2HG   PRO 125          1HG       PRO 125 -12.787  11.358   8.742
 1005   1HD   PRO 125          2HD       PRO 125 -11.125   9.830   7.307
 1006   2HD   PRO 125          1HD       PRO 125 -11.474   9.463   9.009
 1007    H    TRP 126           H        TRP 126 -13.228   8.897   5.435
 1008    HA   TRP 126           HA       TRP 126 -15.671   9.196   4.087
 1009   1HB   TRP 126          2HB       TRP 126 -13.261   9.862   3.386
 1010   2HB   TRP 126          1HB       TRP 126 -13.169   8.233   2.729
 1011    HD1  TRP 126           HD       TRP 126 -14.573  11.655   1.997
 1012    HE1  TRP 126           1HE      TRP 126 -15.718  11.630  -0.309
 1013    HE3  TRP 126           3HE      TRP 126 -14.559   6.616   1.137
 1014    HZ2  TRP 126           2HZ      TRP 126 -16.505   9.723  -2.235
 1015    HZ3  TRP 126           3HZ      TRP 126 -15.529   5.774  -0.961
 1016    HH2  TRP 126           HH       TRP 126 -16.482   7.298  -2.611
 1017    H    TYR 127           H        TYR 127 -13.682   6.369   4.725
 1018    HA   TYR 127           HA       TYR 127 -15.523   4.710   3.158
 1019   1HB   TYR 127          2HB       TYR 127 -12.754   4.196   4.235
 1020   2HB   TYR 127          1HB       TYR 127 -13.754   2.930   3.533
 1021    HD1  TYR 127           1HD      TYR 127 -12.218   6.232   2.766
 1022    HD2  TYR 127           2HD      TYR 127 -13.761   2.580   1.225
 1023    HE1  TYR 127           1HE      TYR 127 -11.421   6.851   0.523
 1024    HE2  TYR 127           2HE      TYR 127 -12.968   3.183  -1.020
 1025    HH   TYR 127           HH       TYR 127 -11.095   4.722  -1.959
 1026    H    SER 128           H        SER 128 -14.027   4.861   6.390
 1027    HA   SER 128           HA       SER 128 -15.927   2.830   7.312
 1028   1HB   SER 128          2HB       SER 128 -13.366   2.783   7.770
 1029   2HB   SER 128          1HB       SER 128 -13.735   3.977   9.014
 1030    HG   SER 128           HG       SER 128 -13.794   1.850   9.839
 1031    H    GLY 129           H        GLY 129 -14.629   5.942   8.518
 1032   1HA   GLY 129          2HA       GLY 129 -16.494   7.614   8.949
 1033   2HA   GLY 129          1HA       GLY 129 -17.210   6.323   9.903
 1034    H    ASN 130           H        ASN 130 -13.771   6.589   9.990
 1035    HA   ASN 130           HA       ASN 130 -13.848   8.200  12.432
 1036   1HB   ASN 130          2HB       ASN 130 -13.945   5.586  12.793
 1037   2HB   ASN 130          1HB       ASN 130 -12.217   5.693  12.472
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.003   7.246  13.791
 1039   2HD2  ASN 130          2HD2      ASN 130 -11.469   7.461  15.441
 1040    H    PHE 131           H        PHE 131 -11.964   9.318  12.879
 1041    HA   PHE 131           HA       PHE 131 -10.157   9.651  10.653
 1042   1HB   PHE 131          2HB       PHE 131  -9.557  10.979  13.237
 1043   2HB   PHE 131          1HB       PHE 131  -9.568  11.641  11.605
 1044    HD1  PHE 131           1HD      PHE 131 -11.811  12.125  10.528
 1045    HD2  PHE 131           2HD      PHE 131 -11.349  11.330  14.682
 1046    HE1  PHE 131           1HE      PHE 131 -13.993  13.174  10.967
 1047    HE2  PHE 131           2HE      PHE 131 -13.531  12.375  15.130
 1048    HZ   PHE 131           HZ       PHE 131 -14.856  13.299  13.271
 1049    H    ASP 132           H        ASP 132 -10.047   8.360  13.914
 1050    HA   ASP 132           HA       ASP 132  -7.258   7.888  14.021
 1051   1HB   ASP 132          2HB       ASP 132  -9.595   6.735  15.542
 1052   2HB   ASP 132          1HB       ASP 132  -7.937   6.223  15.845
 1053    H    GLU 133           H        GLU 133  -9.867   6.299  12.481
 1054    HA   GLU 133           HA       GLU 133  -9.012   3.663  12.357
 1055   1HB   GLU 133          2HB       GLU 133 -11.204   4.296  11.584
 1056   2HB   GLU 133          1HB       GLU 133 -10.515   5.315  10.327
 1057   1HG   GLU 133          2HG       GLU 133 -10.636   3.610   8.934
 1058   2HG   GLU 133          1HG       GLU 133  -9.446   2.759   9.917
 1059    H    THR 134           H        THR 134  -7.999   6.452  10.454
 1060    HA   THR 134           HA       THR 134  -6.624   5.137   8.422
 1061    HB   THR 134           HB       THR 134  -5.158   7.222   8.360
 1062    HG1  THR 134           1HG      THR 134  -5.249   8.253  10.224
 1063   1HG2  THR 134          1HG2      THR 134  -6.895   7.247   6.834
 1064   2HG2  THR 134          2HG2      THR 134  -7.243   8.682   7.799
 1065   3HG2  THR 134          3HG2      THR 134  -8.135   7.189   8.086
 1066    H    TYR 135           H        TYR 135  -5.399   6.266  11.569
 1067    HA   TYR 135           HA       TYR 135  -2.756   5.391  11.190
 1068   1HB   TYR 135          2HB       TYR 135  -3.617   6.969  12.977
 1069   2HB   TYR 135          1HB       TYR 135  -4.156   5.539  13.853
 1070    HD1  TYR 135           1HD      TYR 135  -1.089   6.949  12.251
 1071    HD2  TYR 135           2HD      TYR 135  -2.706   4.549  15.370
 1072    HE1  TYR 135           1HE      TYR 135   1.159   6.702  13.220
 1073    HE2  TYR 135           2HE      TYR 135  -0.463   4.298  16.347
 1074    HH   TYR 135           HH       TYR 135   1.956   6.127  15.900
 1075    H    LYS 136           H        LYS 136  -5.497   3.806  12.813
 1076    HA   LYS 136           HA       LYS 136  -4.191   1.540  13.719
 1077   1HB   LYS 136          2HB       LYS 136  -6.895   2.398  13.402
 1078   2HB   LYS 136          1HB       LYS 136  -6.770   0.744  12.820
 1079   1HG   LYS 136          2HG       LYS 136  -7.316   0.544  15.080
 1080   2HG   LYS 136          1HG       LYS 136  -5.580   0.236  15.014
 1081   1HD   LYS 136          2HD       LYS 136  -5.093   2.450  15.794
 1082   2HD   LYS 136          1HD       LYS 136  -6.789   2.921  15.661
 1083   1HE   LYS 136          2HE       LYS 136  -7.394   1.790  17.556
 1084   2HE   LYS 136          1HE       LYS 136  -6.110   0.594  17.383
 1085   1HZ   LYS 136          1HZ       LYS 136  -4.543   2.038  18.281
 1086   2HZ   LYS 136          2HZ       LYS 136  -5.907   2.296  19.248
 1087   3HZ   LYS 136          3HZ       LYS 136  -5.504   3.410  18.041
 1088    H    ILE 137           H        ILE 137  -5.925   1.911  10.627
 1089    HA   ILE 137           HA       ILE 137  -5.197  -0.641   9.640
 1090    HB   ILE 137           HB       ILE 137  -5.936   1.704   7.913
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.487   1.545   9.853
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.273   1.215   8.311
 1093   1HG2  ILE 137          1HG2      ILE 137  -6.052  -1.272   7.658
 1094   2HG2  ILE 137          2HG2      ILE 137  -5.409  -0.075   6.534
 1095   3HG2  ILE 137          3HG2      ILE 137  -7.154  -0.255   6.730
 1096   1HD1  ILE 137          1HD1      ILE 137  -7.502  -0.734  10.456
 1097   2HD1  ILE 137          2HD1      ILE 137  -7.949  -1.236   8.826
 1098   3HD1  ILE 137          3HD1      ILE 137  -9.109  -0.367   9.830
 1099    H    LEU 138           H        LEU 138  -3.762   2.578   9.196
 1100    HA   LEU 138           HA       LEU 138  -1.938   1.819   7.176
 1101   1HB   LEU 138          2HB       LEU 138  -2.371   4.146   8.904
 1102   2HB   LEU 138          1HB       LEU 138  -0.696   3.897   8.453
 1103    HG   LEU 138           HG       LEU 138  -1.666   5.408   6.880
 1104   1HD1  LEU 138          1HD1      LEU 138  -0.659   4.465   5.137
 1105   2HD1  LEU 138          2HD1      LEU 138  -1.826   3.143   5.077
 1106   3HD1  LEU 138          3HD1      LEU 138  -0.437   3.044   6.159
 1107   1HD2  LEU 138          1HD2      LEU 138  -3.998   3.841   7.271
 1108   2HD2  LEU 138          2HD2      LEU 138  -3.610   3.826   5.551
 1109   3HD2  LEU 138          3HD2      LEU 138  -3.826   5.361   6.394
 1110    H    SER 139           H        SER 139  -1.362   2.413  10.636
 1111    HA   SER 139           HA       SER 139   1.293   1.616  10.706
 1112   1HB   SER 139          2HB       SER 139   1.107   1.623  13.054
 1113   2HB   SER 139          1HB       SER 139  -0.116   2.780  12.521
 1114    HG   SER 139           HG       SER 139  -0.619   0.944  14.131
 1115    H    LEU 140           H        LEU 140  -1.642  -0.330  11.174
 1116    HA   LEU 140           HA       LEU 140  -0.276  -2.728  11.818
 1117   1HB   LEU 140          2HB       LEU 140  -2.904  -1.882  11.788
 1118   2HB   LEU 140          1HB       LEU 140  -2.859  -3.091  10.519
 1119    HG   LEU 140           HG       LEU 140  -1.496  -4.227  12.699
 1120   1HD1  LEU 140          1HD1      LEU 140  -2.677  -2.343  13.969
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.870  -3.989  14.571
 1122   3HD1  LEU 140          3HD1      LEU 140  -4.163  -3.233  13.640
 1123   1HD2  LEU 140          1HD2      LEU 140  -2.690  -5.896  11.857
 1124   2HD2  LEU 140          2HD2      LEU 140  -3.696  -4.761  10.957
 1125   3HD2  LEU 140          3HD2      LEU 140  -4.133  -5.213  12.605
 1126    H    ALA 141           H        ALA 141  -1.697  -1.550   8.777
 1127    HA   ALA 141           HA       ALA 141  -1.094  -3.806   7.231
 1128   1HB   ALA 141          1HB       ALA 141  -2.603  -2.446   6.185
 1129   2HB   ALA 141          2HB       ALA 141  -1.130  -2.005   5.322
 1130   3HB   ALA 141          3HB       ALA 141  -1.739  -0.968   6.612
 1131    H    CYS 142           H        CYS 142   0.745  -0.785   7.647
 1132    HA   CYS 142           HA       CYS 142   2.833  -1.386   5.888
 1133   1HB   CYS 142          2HB       CYS 142   2.529   0.851   6.767
 1134   2HB   CYS 142          1HB       CYS 142   2.838   0.292   8.407
 1135    HG   CYS 142           HG       CYS 142   5.431  -0.574   6.673
 1136    H    LYS 143           H        LYS 143   2.574  -1.986   9.392
 1137    HA   LYS 143           HA       LYS 143   5.117  -3.150   9.699
 1138   1HB   LYS 143          2HB       LYS 143   3.766  -2.328  11.585
 1139   2HB   LYS 143          1HB       LYS 143   2.614  -3.630  11.322
 1140   1HG   LYS 143          2HG       LYS 143   4.258  -5.279  11.908
 1141   2HG   LYS 143          1HG       LYS 143   5.513  -4.044  12.017
 1142   1HD   LYS 143          2HD       LYS 143   4.193  -2.970  13.843
 1143   2HD   LYS 143          1HD       LYS 143   3.096  -4.350  13.792
 1144   1HE   LYS 143          2HE       LYS 143   6.056  -4.663  14.203
 1145   2HE   LYS 143          1HE       LYS 143   4.943  -4.399  15.545
 1146   1HZ   LYS 143          1HZ       LYS 143   4.216  -6.491  15.440
 1147   2HZ   LYS 143          2HZ       LYS 143   5.596  -6.808  14.517
 1148   3HZ   LYS 143          3HZ       LYS 143   4.123  -6.494  13.750
 1149    H    ASN 144           H        ASN 144   1.959  -4.820   9.674
 1150    HA   ASN 144           HA       ASN 144   2.887  -7.414   9.563
 1151   1HB   ASN 144          2HB       ASN 144   0.422  -6.261   9.545
 1152   2HB   ASN 144          1HB       ASN 144   0.502  -6.889   7.902
 1153   1HD2  ASN 144          1HD2      ASN 144  -0.953  -7.630  10.484
 1154   2HD2  ASN 144          2HD2      ASN 144  -0.724  -9.338  10.599
 1155    H    LEU 145           H        LEU 145   2.044  -5.325   6.811
 1156    HA   LEU 145           HA       LEU 145   2.735  -7.148   4.795
 1157   1HB   LEU 145          2HB       LEU 145   1.374  -5.212   4.323
 1158   2HB   LEU 145          1HB       LEU 145   2.679  -4.134   4.778
 1159    HG   LEU 145           HG       LEU 145   3.972  -5.281   2.829
 1160   1HD1  LEU 145          1HD1      LEU 145   2.058  -5.692   1.023
 1161   2HD1  LEU 145          2HD1      LEU 145   1.193  -6.232   2.462
 1162   3HD1  LEU 145          3HD1      LEU 145   2.721  -6.990   2.016
 1163   1HD2  LEU 145          1HD2      LEU 145   2.484  -2.957   3.095
 1164   2HD2  LEU 145          2HD2      LEU 145   1.936  -3.652   1.570
 1165   3HD2  LEU 145          3HD2      LEU 145   3.650  -3.321   1.823
 1166    H    LEU 146           H        LEU 146   4.668  -5.014   6.752
 1167    HA   LEU 146           HA       LEU 146   6.980  -4.983   5.110
 1168   1HB   LEU 146          2HB       LEU 146   6.202  -3.974   7.674
 1169   2HB   LEU 146          1HB       LEU 146   7.753  -4.778   7.828
 1170    HG   LEU 146           HG       LEU 146   7.354  -2.803   5.619
 1171   1HD1  LEU 146          1HD1      LEU 146   7.965  -0.972   7.036
 1172   2HD1  LEU 146          2HD1      LEU 146   8.108  -2.038   8.433
 1173   3HD1  LEU 146          3HD1      LEU 146   6.529  -1.742   7.709
 1174   1HD2  LEU 146          1HD2      LEU 146   9.388  -4.114   5.648
 1175   2HD2  LEU 146          2HD2      LEU 146   9.703  -3.636   7.315
 1176   3HD2  LEU 146          3HD2      LEU 146   9.752  -2.431   6.028
 1177    H    VAL 147           H        VAL 147   5.860  -7.083   7.704
 1178    HA   VAL 147           HA       VAL 147   8.232  -8.639   7.890
 1179    HB   VAL 147           HB       VAL 147   5.432  -9.492   8.639
 1180   1HG1  VAL 147          1HG1      VAL 147   6.754 -11.387   8.800
 1181   2HG1  VAL 147          2HG1      VAL 147   6.845 -10.723  10.432
 1182   3HG1  VAL 147          3HG1      VAL 147   8.178 -10.475   9.303
 1183   1HG2  VAL 147          1HG2      VAL 147   5.660  -7.503   9.815
 1184   2HG2  VAL 147          2HG2      VAL 147   7.396  -7.718  10.039
 1185   3HG2  VAL 147          3HG2      VAL 147   6.260  -8.702  10.961
 1186    H    PHE 148           H        PHE 148   5.114  -9.147   6.254
 1187    HA   PHE 148           HA       PHE 148   5.759 -11.654   5.133
 1188   1HB   PHE 148          2HB       PHE 148   3.453 -10.552   5.366
 1189   2HB   PHE 148          1HB       PHE 148   3.850  -9.680   3.889
 1190    HD1  PHE 148           1HD      PHE 148   3.972 -10.820   1.767
 1191    HD2  PHE 148           2HD      PHE 148   3.045 -12.937   5.340
 1192    HE1  PHE 148           1HE      PHE 148   3.194 -12.732   0.427
 1193    HE2  PHE 148           2HE      PHE 148   2.265 -14.853   4.007
 1194    HZ   PHE 148           HZ       PHE 148   2.340 -14.752   1.547
 1195    H    LEU 149           H        LEU 149   6.127  -8.348   3.949
 1196    HA   LEU 149           HA       LEU 149   6.962  -9.018   1.332
 1197   1HB   LEU 149          2HB       LEU 149   6.235  -6.801   1.614
 1198   2HB   LEU 149          1HB       LEU 149   7.222  -6.570   3.049
 1199    HG   LEU 149           HG       LEU 149   8.682  -7.058   0.514
 1200   1HD1  LEU 149          1HD1      LEU 149   6.738  -5.504  -0.009
 1201   2HD1  LEU 149          2HD1      LEU 149   8.358  -4.911  -0.376
 1202   3HD1  LEU 149          3HD1      LEU 149   7.519  -4.347   1.068
 1203   1HD2  LEU 149          1HD2      LEU 149  10.287  -6.463   1.944
 1204   2HD2  LEU 149          2HD2      LEU 149   9.120  -5.870   3.125
 1205   3HD2  LEU 149          3HD2      LEU 149   9.662  -4.820   1.816
 1206    H    SER 150           H        SER 150   8.640  -8.662   4.387
 1207    HA   SER 150           HA       SER 150  11.258  -8.940   3.178
 1208   1HB   SER 150          2HB       SER 150  12.123  -8.341   5.219
 1209   2HB   SER 150          1HB       SER 150  10.509  -7.654   5.397
 1210    HG   SER 150           HG       SER 150  10.048  -9.105   6.863
 1211    H    LYS 151           H        LYS 151   8.784 -10.994   4.111
 1212    HA   LYS 151           HA       LYS 151   8.587 -13.243   4.349
 1213   1HB   LYS 151          2HB       LYS 151  11.235 -13.075   2.927
 1214   2HB   LYS 151          1HB       LYS 151  10.511 -14.617   3.359
 1215   1HG   LYS 151          2HG       LYS 151   8.697 -12.806   1.953
 1216   2HG   LYS 151          1HG       LYS 151  10.111 -13.294   1.016
 1217   1HD   LYS 151          2HD       LYS 151   9.512 -15.510   1.008
 1218   2HD   LYS 151          1HD       LYS 151   8.597 -15.380   2.510
 1219   1HE   LYS 151          2HE       LYS 151   6.859 -14.111   1.321
 1220   2HE   LYS 151          1HE       LYS 151   7.769 -14.288  -0.178
 1221   1HZ   LYS 151          1HZ       LYS 151   6.621 -16.507   1.430
 1222   2HZ   LYS 151          2HZ       LYS 151   7.520 -16.692   0.008
 1223   3HZ   LYS 151          3HZ       LYS 151   6.013 -15.926  -0.038
 1224    H    HIS 152           H        HIS 152   8.592 -13.159   6.629
 1225    HA   HIS 152           HA       HIS 152  11.113 -13.559   8.027
 1226   1HB   HIS 152          2HB       HIS 152   9.221 -12.072   8.877
 1227   2HB   HIS 152          1HB       HIS 152   8.355 -13.558   9.250
 1228    HD1  HIS 152           1HD      HIS 152  11.818 -14.179   9.886
 1229    HD2  HIS 152           2HD      HIS 152   8.751 -12.261  11.931
 1230    HE1  HIS 152           1HE      HIS 152  12.571 -14.075  12.282
 1231    HE2  HIS 152           2HE      HIS 152  10.660 -12.991  13.517
 1232    H    HIS 153           H        HIS 153   7.966 -15.185   8.385
 1233    HA   HIS 153           HA       HIS 153   9.032 -17.770   7.788
 1234   1HB   HIS 153          2HB       HIS 153   8.926 -18.778   9.949
 1235   2HB   HIS 153          1HB       HIS 153   9.900 -17.323  10.118
 1236    HD1  HIS 153           1HD      HIS 153   7.781 -15.199  10.539
 1237    HD2  HIS 153           2HD      HIS 153   7.623 -18.953  12.312
 1238    HE1  HIS 153           1HE      HIS 153   6.318 -14.924  12.567
 1239    HE2  HIS 153           2HE      HIS 153   6.318 -17.185  13.676
 1240    H    HIS 154           H        HIS 154   7.414 -19.393   7.690
 1241    HA   HIS 154           HA       HIS 154   4.660 -18.478   8.135
 1242   1HB   HIS 154          2HB       HIS 154   5.791 -18.580   5.622
 1243   2HB   HIS 154          1HB       HIS 154   4.967 -20.131   5.739
 1244    HD1  HIS 154           1HD      HIS 154   2.476 -20.128   5.436
 1245    HD2  HIS 154           2HD      HIS 154   4.027 -16.306   5.933
 1246    HE1  HIS 154           1HE      HIS 154   0.568 -18.562   4.960
 1247    HE2  HIS 154           2HE      HIS 154   1.550 -16.253   5.192
 1248    H    HIS 155           H        HIS 155   6.986 -20.806   8.593
 1249    HA   HIS 155           HA       HIS 155   6.991 -22.928   9.410
 1250   1HB   HIS 155          2HB       HIS 155   4.508 -21.715  10.426
 1251   2HB   HIS 155          1HB       HIS 155   4.517 -23.475  10.431
 1252    HD1  HIS 155           1HD      HIS 155   7.407 -24.024  11.251
 1253    HD2  HIS 155           2HD      HIS 155   5.020 -21.125  13.028
 1254    HE1  HIS 155           1HE      HIS 155   8.397 -23.644  13.530
 1255    HE2  HIS 155           2HE      HIS 155   6.890 -21.943  14.617
 1256    H    HIS 156           H        HIS 156   7.231 -24.128   7.568
 1257    HA   HIS 156           HA       HIS 156   4.964 -24.781   5.905
 1258   1HB   HIS 156          2HB       HIS 156   6.585 -26.097   4.599
 1259   2HB   HIS 156          1HB       HIS 156   7.160 -24.456   4.881
 1260    HD1  HIS 156           1HD      HIS 156   8.989 -24.230   6.861
 1261    HD2  HIS 156           2HD      HIS 156   8.308 -28.054   5.384
 1262    HE1  HIS 156           1HE      HIS 156  10.962 -25.598   7.606
 1263    HE2  HIS 156           2HE      HIS 156  10.577 -27.883   6.615
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  16.731  -8.898  -8.493
    2   2H    MET   1          2HT       MET   1  17.790  -8.190  -7.380
    3   3H    MET   1          3HT       MET   1  17.978  -7.890  -9.034
    4    HA   MET   1           HA       MET   1  16.746  -6.227  -7.378
    5   1HB   MET   1          2HB       MET   1  16.259  -6.804 -10.300
    6   2HB   MET   1          1HB       MET   1  15.611  -5.380  -9.495
    7   1HG   MET   1          2HG       MET   1  17.584  -4.328  -9.490
    8   2HG   MET   1          1HG       MET   1  18.482  -5.795  -9.101
    9   1HE   MET   1          1HE       MET   1  17.374  -3.282 -11.388
   10   2HE   MET   1          2HE       MET   1  16.522  -4.301 -12.550
   11   3HE   MET   1          3HE       MET   1  18.108  -3.644 -12.950
   12    H    LYS   2           H        LYS   2  14.718  -5.703  -6.655
   13    HA   LYS   2           HA       LYS   2  12.444  -7.345  -7.426
   14   1HB   LYS   2          2HB       LYS   2  13.729  -7.394  -4.737
   15   2HB   LYS   2          1HB       LYS   2  11.973  -7.452  -4.811
   16   1HG   LYS   2          2HG       LYS   2  12.181  -9.403  -6.356
   17   2HG   LYS   2          1HG       LYS   2  13.917  -9.392  -6.037
   18   1HD   LYS   2          2HD       LYS   2  13.114  -9.417  -3.527
   19   2HD   LYS   2          1HD       LYS   2  11.653 -10.108  -4.235
   20   1HE   LYS   2          2HE       LYS   2  13.061 -11.824  -5.338
   21   2HE   LYS   2          1HE       LYS   2  14.465 -11.167  -4.499
   22   1HZ   LYS   2          1HZ       LYS   2  13.819 -12.051  -2.537
   23   2HZ   LYS   2          2HZ       LYS   2  13.037 -13.164  -3.539
   24   3HZ   LYS   2          3HZ       LYS   2  12.166 -11.886  -2.857
   25    H    LYS   3           H        LYS   3  10.632  -6.178  -7.537
   26    HA   LYS   3           HA       LYS   3  10.599  -3.557  -6.191
   27   1HB   LYS   3          2HB       LYS   3   9.844  -4.354  -8.966
   28   2HB   LYS   3          1HB       LYS   3   8.939  -3.060  -8.192
   29   1HG   LYS   3          2HG       LYS   3  11.580  -2.402  -7.706
   30   2HG   LYS   3          1HG       LYS   3  11.588  -3.032  -9.356
   31   1HD   LYS   3          2HD       LYS   3   9.334  -1.437  -9.276
   32   2HD   LYS   3          1HD       LYS   3  10.513  -0.539  -8.315
   33   1HE   LYS   3          2HE       LYS   3  11.903  -1.479 -10.562
   34   2HE   LYS   3          1HE       LYS   3  10.359  -0.878 -11.166
   35   1HZ   LYS   3          1HZ       LYS   3  11.080   1.060  -9.456
   36   2HZ   LYS   3          2HZ       LYS   3  11.389   1.092 -11.117
   37   3HZ   LYS   3          3HZ       LYS   3  12.589   0.572 -10.045
   38    H    ILE   4           H        ILE   4   8.499  -2.749  -5.564
   39    HA   ILE   4           HA       ILE   4   6.472  -4.867  -5.230
   40    HB   ILE   4           HB       ILE   4   7.335  -2.859  -3.148
   41   1HG1  ILE   4          2HG1      ILE   4   7.659  -5.169  -1.921
   42   2HG1  ILE   4          1HG1      ILE   4   7.822  -5.778  -3.564
   43   1HG2  ILE   4          1HG2      ILE   4   5.229  -3.035  -2.428
   44   2HG2  ILE   4          2HG2      ILE   4   5.686  -4.656  -1.906
   45   3HG2  ILE   4          3HG2      ILE   4   4.894  -4.422  -3.465
   46   1HD1  ILE   4          1HD1      ILE   4   9.808  -4.676  -1.979
   47   2HD1  ILE   4          2HD1      ILE   4   9.426  -3.417  -3.153
   48   3HD1  ILE   4          3HD1      ILE   4   9.899  -5.022  -3.706
   49    H    LEU   5           H        LEU   5   4.765  -4.257  -6.407
   50    HA   LEU   5           HA       LEU   5   4.115  -1.437  -6.714
   51   1HB   LEU   5          2HB       LEU   5   3.899  -3.641  -8.374
   52   2HB   LEU   5          1HB       LEU   5   2.244  -3.332  -7.888
   53    HG   LEU   5           HG       LEU   5   3.998  -1.156  -8.999
   54   1HD1  LEU   5          1HD1      LEU   5   3.895  -2.028 -11.032
   55   2HD1  LEU   5          2HD1      LEU   5   2.135  -2.061 -10.935
   56   3HD1  LEU   5          3HD1      LEU   5   3.074  -3.450 -10.388
   57   1HD2  LEU   5          1HD2      LEU   5   1.236  -1.408  -8.104
   58   2HD2  LEU   5          2HD2      LEU   5   1.388  -0.705  -9.714
   59   3HD2  LEU   5          3HD2      LEU   5   2.224   0.033  -8.348
   60    H    PHE   6           H        PHE   6   2.932  -0.511  -5.159
   61    HA   PHE   6           HA       PHE   6   0.888  -2.083  -3.755
   62   1HB   PHE   6          2HB       PHE   6   2.132   0.613  -3.178
   63   2HB   PHE   6          1HB       PHE   6   0.750  -0.010  -2.288
   64    HD1  PHE   6           1HD      PHE   6   3.947   0.623  -1.793
   65    HD2  PHE   6           2HD      PHE   6   1.403  -2.790  -1.791
   66    HE1  PHE   6           1HE      PHE   6   5.470  -0.509  -0.231
   67    HE2  PHE   6           2HE      PHE   6   2.921  -3.923  -0.228
   68    HZ   PHE   6           HZ       PHE   6   4.959  -2.785   0.554
   69    H    ILE   7           H        ILE   7  -1.136  -1.987  -4.542
   70    HA   ILE   7           HA       ILE   7  -1.885   0.326  -6.183
   71    HB   ILE   7           HB       ILE   7  -3.275  -2.342  -5.944
   72   1HG1  ILE   7          2HG1      ILE   7  -1.811  -1.442  -8.389
   73   2HG1  ILE   7          1HG1      ILE   7  -0.881  -2.094  -7.043
   74   1HG2  ILE   7          1HG2      ILE   7  -4.853  -0.694  -6.600
   75   2HG2  ILE   7          2HG2      ILE   7  -4.389  -1.568  -8.059
   76   3HG2  ILE   7          3HG2      ILE   7  -3.719   0.032  -7.740
   77   1HD1  ILE   7          1HD1      ILE   7  -3.152  -3.763  -7.689
   78   2HD1  ILE   7          2HD1      ILE   7  -1.443  -4.175  -7.560
   79   3HD1  ILE   7          3HD1      ILE   7  -2.082  -3.527  -9.071
   80    H    CYS   8           H        CYS   8  -3.364   1.759  -5.568
   81    HA   CYS   8           HA       CYS   8  -5.274   1.061  -3.470
   82   1HB   CYS   8          2HB       CYS   8  -3.086   2.932  -3.213
   83   2HB   CYS   8          1HB       CYS   8  -4.635   3.737  -2.988
   84    HG   CYS   8           HG       CYS   8  -5.352   1.543  -1.102
   85    H    LEU   9           H        LEU   9  -7.274   1.547  -4.053
   86    HA   LEU   9           HA       LEU   9  -7.995   2.676  -6.472
   87   1HB   LEU   9          2HB       LEU   9  -9.319   1.641  -4.206
   88   2HB   LEU   9          1HB       LEU   9 -10.022   3.219  -4.508
   89    HG   LEU   9           HG       LEU   9  -9.781   1.099  -6.637
   90   1HD1  LEU   9          1HD1      LEU   9 -11.768   1.454  -4.479
   91   2HD1  LEU   9          2HD1      LEU   9 -11.270  -0.002  -5.338
   92   3HD1  LEU   9          3HD1      LEU   9 -12.396   1.124  -6.094
   93   1HD2  LEU   9          1HD2      LEU   9 -10.162   3.017  -7.802
   94   2HD2  LEU   9          2HD2      LEU   9 -10.961   3.816  -6.449
   95   3HD2  LEU   9          3HD2      LEU   9 -11.828   2.605  -7.395
   96    H    GLY  10           H        GLY  10  -7.187   4.200  -3.469
   97   1HA   GLY  10          2HA       GLY  10  -7.457   6.822  -4.771
   98   2HA   GLY  10          1HA       GLY  10  -8.164   6.577  -3.178
   99    H    ASN  11           H        ASN  11  -5.281   7.170  -4.960
  100    HA   ASN  11           HA       ASN  11  -3.487   6.639  -2.781
  101   1HB   ASN  11          2HB       ASN  11  -3.047   6.654  -5.380
  102   2HB   ASN  11          1HB       ASN  11  -2.693   8.353  -5.088
  103   1HD2  ASN  11          1HD2      ASN  11  -1.233   5.575  -5.546
  104   2HD2  ASN  11          2HD2      ASN  11   0.151   5.741  -4.526
  105    H    ILE  12           H        ILE  12  -5.474   8.322  -1.899
  106    HA   ILE  12           HA       ILE  12  -3.920  10.711  -1.232
  107    HB   ILE  12           HB       ILE  12  -6.061  12.056  -1.329
  108   1HG1  ILE  12          2HG1      ILE  12  -7.274  10.527  -3.435
  109   2HG1  ILE  12          1HG1      ILE  12  -7.130   9.521  -1.996
  110   1HG2  ILE  12          1HG2      ILE  12  -4.602  11.039  -3.727
  111   2HG2  ILE  12          2HG2      ILE  12  -4.542  12.628  -2.966
  112   3HG2  ILE  12          3HG2      ILE  12  -5.946  12.164  -3.928
  113   1HD1  ILE  12          1HD1      ILE  12  -9.256  10.602  -1.971
  114   2HD1  ILE  12          2HD1      ILE  12  -8.511  12.181  -2.221
  115   3HD1  ILE  12          3HD1      ILE  12  -8.255  11.316  -0.706
  116    H    CYS  13           H        CYS  13  -4.679   8.145   0.071
  117    HA   CYS  13           HA       CYS  13  -5.607   9.302   2.568
  118   1HB   CYS  13          2HB       CYS  13  -7.129   7.290   0.977
  119   2HB   CYS  13          1HB       CYS  13  -7.125   7.128   2.729
  120    HG   CYS  13           HG       CYS  13  -8.599   9.236   3.306
  121    H    ARG  14           H        ARG  14  -5.667   5.877   1.830
  122    HA   ARG  14           HA       ARG  14  -3.735   5.370   3.897
  123   1HB   ARG  14          2HB       ARG  14  -4.824   3.432   4.036
  124   2HB   ARG  14          1HB       ARG  14  -5.847   3.946   2.702
  125   1HG   ARG  14          2HG       ARG  14  -5.092   1.951   1.900
  126   2HG   ARG  14          1HG       ARG  14  -3.850   3.025   1.254
  127   1HD   ARG  14          2HD       ARG  14  -2.246   2.090   2.501
  128   2HD   ARG  14          1HD       ARG  14  -3.255   2.093   3.946
  129    HE   ARG  14           HE       ARG  14  -4.128   0.076   2.183
  130   1HH1  ARG  14          1HH1      ARG  14  -1.488   0.849   4.323
  131   2HH1  ARG  14          2HH1      ARG  14  -1.109  -0.807   4.662
  132   1HH2  ARG  14          1HH2      ARG  14  -3.636  -2.106   2.624
  133   2HH2  ARG  14          2HH2      ARG  14  -2.330  -2.486   3.697
  134    H    SER  15           H        SER  15  -3.801   5.192   0.372
  135    HA   SER  15           HA       SER  15  -1.443   3.811  -0.096
  136   1HB   SER  15          2HB       SER  15  -3.212   4.701  -1.763
  137   2HB   SER  15          1HB       SER  15  -2.218   6.157  -1.800
  138    HG   SER  15           HG       SER  15  -1.740   3.665  -2.863
  139    HA   PRO  16           HA       PRO  16   0.963   8.031  -0.004
  140   1HB   PRO  16          2HB       PRO  16  -0.740   9.780   1.634
  141   2HB   PRO  16          1HB       PRO  16   0.059  10.114   0.095
  142   1HG   PRO  16          2HG       PRO  16  -2.602   9.826   0.262
  143   2HG   PRO  16          1HG       PRO  16  -1.688   9.259  -1.149
  144   1HD   PRO  16          2HD       PRO  16  -2.749   7.689   1.175
  145   2HD   PRO  16          1HD       PRO  16  -2.778   7.292  -0.557
  146    H    MET  17           H        MET  17  -1.085   7.321   2.810
  147    HA   MET  17           HA       MET  17   0.656   8.147   4.818
  148   1HB   MET  17          2HB       MET  17  -1.717   7.424   5.149
  149   2HB   MET  17          1HB       MET  17  -1.188   5.757   4.955
  150   1HG   MET  17          2HG       MET  17  -0.137   5.704   6.982
  151   2HG   MET  17          1HG       MET  17   0.166   7.439   6.994
  152   1HE   MET  17          1HE       MET  17  -1.970   7.568  10.105
  153   2HE   MET  17          2HE       MET  17  -0.814   8.491   9.146
  154   3HE   MET  17          3HE       MET  17  -0.445   6.831   9.612
  155    H    ALA  18           H        ALA  18   0.239   4.836   3.554
  156    HA   ALA  18           HA       ALA  18   2.484   3.783   4.917
  157   1HB   ALA  18          1HB       ALA  18   0.424   2.649   3.657
  158   2HB   ALA  18          2HB       ALA  18   1.934   1.805   4.004
  159   3HB   ALA  18          3HB       ALA  18   1.654   2.490   2.403
  160    H    GLU  19           H        GLU  19   2.087   5.411   1.858
  161    HA   GLU  19           HA       GLU  19   4.398   4.623   0.536
  162   1HB   GLU  19          2HB       GLU  19   2.581   6.028  -0.428
  163   2HB   GLU  19          1HB       GLU  19   3.175   7.388   0.515
  164   1HG   GLU  19          2HG       GLU  19   5.074   7.621  -0.766
  165   2HG   GLU  19          1HG       GLU  19   5.023   5.953  -1.336
  166    H    PHE  20           H        PHE  20   3.959   7.413   2.707
  167    HA   PHE  20           HA       PHE  20   6.723   8.106   2.678
  168   1HB   PHE  20          2HB       PHE  20   4.578   9.538   3.233
  169   2HB   PHE  20          1HB       PHE  20   4.904   9.002   4.876
  170    HD1  PHE  20           1HD      PHE  20   7.664   9.134   5.304
  171    HD2  PHE  20           2HD      PHE  20   5.284  11.670   2.853
  172    HE1  PHE  20           1HE      PHE  20   9.323  10.934   5.561
  173    HE2  PHE  20           2HE      PHE  20   6.939  13.472   3.104
  174    HZ   PHE  20           HZ       PHE  20   8.962  13.106   4.459
  175    H    ILE  21           H        ILE  21   4.646   6.520   5.135
  176    HA   ILE  21           HA       ILE  21   6.677   6.235   7.036
  177    HB   ILE  21           HB       ILE  21   5.314   4.687   8.216
  178   1HG1  ILE  21          2HG1      ILE  21   3.338   4.499   5.968
  179   2HG1  ILE  21          1HG1      ILE  21   4.721   3.410   6.013
  180   1HG2  ILE  21          1HG2      ILE  21   4.480   7.197   7.429
  181   2HG2  ILE  21          2HG2      ILE  21   3.848   6.256   8.779
  182   3HG2  ILE  21          3HG2      ILE  21   3.052   6.187   7.208
  183   1HD1  ILE  21          1HD1      ILE  21   2.289   3.427   7.624
  184   2HD1  ILE  21          2HD1      ILE  21   3.772   3.188   8.547
  185   3HD1  ILE  21          3HD1      ILE  21   3.377   2.102   7.216
  186    H    MET  22           H        MET  22   5.510   3.832   4.674
  187    HA   MET  22           HA       MET  22   7.347   1.831   5.314
  188   1HB   MET  22          2HB       MET  22   5.948   2.473   2.720
  189   2HB   MET  22          1HB       MET  22   6.964   1.053   2.930
  190   1HG   MET  22          2HG       MET  22   4.900   1.426   4.981
  191   2HG   MET  22          1HG       MET  22   4.298   1.109   3.355
  192   1HE   MET  22          1HE       MET  22   3.174  -1.298   4.043
  193   2HE   MET  22          2HE       MET  22   4.198  -2.551   3.342
  194   3HE   MET  22          3HE       MET  22   3.920  -1.046   2.465
  195    H    LYS  23           H        LYS  23   7.571   4.526   3.017
  196    HA   LYS  23           HA       LYS  23   9.958   3.921   1.769
  197   1HB   LYS  23          2HB       LYS  23   8.313   6.235   2.088
  198   2HB   LYS  23          1HB       LYS  23   9.987   6.711   2.334
  199   1HG   LYS  23          2HG       LYS  23   9.143   5.086  -0.040
  200   2HG   LYS  23          1HG       LYS  23   9.054   6.849  -0.030
  201   1HD   LYS  23          2HD       LYS  23  11.608   6.146   0.948
  202   2HD   LYS  23          1HD       LYS  23  11.317   5.161  -0.487
  203   1HE   LYS  23          2HE       LYS  23  12.411   7.382  -0.915
  204   2HE   LYS  23          1HE       LYS  23  10.935   7.080  -1.832
  205   1HZ   LYS  23          1HZ       LYS  23  11.103   9.338  -0.835
  206   2HZ   LYS  23          2HZ       LYS  23  11.004   8.629   0.697
  207   3HZ   LYS  23          3HZ       LYS  23   9.711   8.486  -0.385
  208    H    ASP  24           H        ASP  24   9.429   5.472   4.904
  209    HA   ASP  24           HA       ASP  24  12.192   5.939   5.433
  210   1HB   ASP  24          2HB       ASP  24  10.121   7.025   6.545
  211   2HB   ASP  24          1HB       ASP  24  10.101   5.594   7.570
  212    H    LEU  25           H        LEU  25   9.914   3.380   6.252
  213    HA   LEU  25           HA       LEU  25  11.646   1.875   7.905
  214   1HB   LEU  25          2HB       LEU  25   8.996   1.766   7.240
  215   2HB   LEU  25          1HB       LEU  25   9.630   0.382   6.371
  216    HG   LEU  25           HG       LEU  25   8.721  -0.141   8.638
  217   1HD1  LEU  25          1HD1      LEU  25  11.633  -0.706   8.120
  218   2HD1  LEU  25          2HD1      LEU  25  10.250  -1.672   7.608
  219   3HD1  LEU  25          3HD1      LEU  25  10.648  -1.543   9.321
  220   1HD2  LEU  25          1HD2      LEU  25   9.730   2.041   9.592
  221   2HD2  LEU  25          2HD2      LEU  25  11.200   1.086   9.781
  222   3HD2  LEU  25          3HD2      LEU  25   9.717   0.592  10.598
  223    H    VAL  26           H        VAL  26  11.428   2.262   4.504
  224    HA   VAL  26           HA       VAL  26  12.432  -0.213   3.637
  225    HB   VAL  26           HB       VAL  26  12.457   2.522   2.383
  226   1HG1  VAL  26          1HG1      VAL  26  14.163   1.827   1.104
  227   2HG1  VAL  26          2HG1      VAL  26  12.959   0.807   0.317
  228   3HG1  VAL  26          3HG1      VAL  26  13.974   0.144   1.600
  229   1HG2  VAL  26          1HG2      VAL  26  10.775   1.593   0.930
  230   2HG2  VAL  26          2HG2      VAL  26  10.310   1.310   2.606
  231   3HG2  VAL  26          3HG2      VAL  26  10.987  -0.005   1.644
  232    H    LYS  27           H        LYS  27  14.115   2.813   4.426
  233    HA   LYS  27           HA       LYS  27  16.670   2.007   3.634
  234   1HB   LYS  27          2HB       LYS  27  15.964   4.337   4.175
  235   2HB   LYS  27          1HB       LYS  27  16.004   3.909   5.879
  236   1HG   LYS  27          2HG       LYS  27  18.475   3.135   5.127
  237   2HG   LYS  27          1HG       LYS  27  18.204   4.482   4.020
  238   1HD   LYS  27          2HD       LYS  27  17.307   5.524   6.368
  239   2HD   LYS  27          1HD       LYS  27  18.612   4.475   6.927
  240   1HE   LYS  27          2HE       LYS  27  19.769   5.690   4.786
  241   2HE   LYS  27          1HE       LYS  27  18.718   6.970   5.387
  242   1HZ   LYS  27          1HZ       LYS  27  21.130   6.647   6.316
  243   2HZ   LYS  27          2HZ       LYS  27  20.370   5.515   7.317
  244   3HZ   LYS  27          3HZ       LYS  27  19.865   7.129   7.333
  245    H    LYS  28           H        LYS  28  14.952   1.450   6.660
  246    HA   LYS  28           HA       LYS  28  17.206   0.634   8.141
  247   1HB   LYS  28          2HB       LYS  28  15.748   0.046   9.861
  248   2HB   LYS  28          1HB       LYS  28  14.934   1.359   9.028
  249   1HG   LYS  28          2HG       LYS  28  13.150   0.037   9.044
  250   2HG   LYS  28          1HG       LYS  28  13.952  -0.858   7.751
  251   1HD   LYS  28          2HD       LYS  28  13.763  -2.629   9.107
  252   2HD   LYS  28          1HD       LYS  28  15.109  -1.913   9.997
  253   1HE   LYS  28          2HE       LYS  28  13.766  -1.892  11.775
  254   2HE   LYS  28          1HE       LYS  28  12.891  -0.585  10.978
  255   1HZ   LYS  28          1HZ       LYS  28  11.128  -1.896  10.877
  256   2HZ   LYS  28          2HZ       LYS  28  11.982  -3.167  11.597
  257   3HZ   LYS  28          3HZ       LYS  28  11.976  -2.998   9.914
  258    H    ALA  29           H        ALA  29  14.734  -1.430   6.501
  259    HA   ALA  29           HA       ALA  29  16.760  -3.569   6.604
  260   1HB   ALA  29          1HB       ALA  29  15.482  -4.782   7.927
  261   2HB   ALA  29          2HB       ALA  29  14.227  -4.799   6.688
  262   3HB   ALA  29          3HB       ALA  29  14.241  -3.530   7.911
  263    H    ASN  30           H        ASN  30  14.577  -1.860   4.600
  264    HA   ASN  30           HA       ASN  30  14.289  -4.026   2.694
  265   1HB   ASN  30          2HB       ASN  30  13.330  -1.190   2.797
  266   2HB   ASN  30          1HB       ASN  30  13.305  -2.066   1.271
  267   1HD2  ASN  30          1HD2      ASN  30  11.693  -3.443   0.880
  268   2HD2  ASN  30          2HD2      ASN  30  10.461  -3.873   2.012
  269    H    LEU  31           H        LEU  31  16.410  -1.385   3.283
  270    HA   LEU  31           HA       LEU  31  18.334  -0.707   2.281
  271   1HB   LEU  31          2HB       LEU  31  17.945  -3.406   1.072
  272   2HB   LEU  31          1HB       LEU  31  19.153  -2.345   0.374
  273    HG   LEU  31           HG       LEU  31  19.606  -2.299   3.150
  274   1HD1  LEU  31          1HD1      LEU  31  19.492  -4.410   3.961
  275   2HD1  LEU  31          2HD1      LEU  31  19.745  -5.151   2.380
  276   3HD1  LEU  31          3HD1      LEU  31  18.158  -4.513   2.811
  277   1HD2  LEU  31          1HD2      LEU  31  21.521  -2.128   1.963
  278   2HD2  LEU  31          2HD2      LEU  31  20.961  -3.220   0.695
  279   3HD2  LEU  31          3HD2      LEU  31  21.568  -3.874   2.217
  280    H    GLU  32           H        GLU  32  16.897   0.994   1.508
  281    HA   GLU  32           HA       GLU  32  15.573   1.106  -0.900
  282   1HB   GLU  32          2HB       GLU  32  16.210   2.913   1.066
  283   2HB   GLU  32          1HB       GLU  32  17.090   3.549  -0.317
  284   1HG   GLU  32          2HG       GLU  32  14.137   3.026  -0.119
  285   2HG   GLU  32          1HG       GLU  32  14.946   4.588  -0.231
  286    H    LYS  33           H        LYS  33  18.993   1.071  -0.350
  287    HA   LYS  33           HA       LYS  33  19.618   1.928  -3.059
  288   1HB   LYS  33          2HB       LYS  33  22.011   1.302  -2.197
  289   2HB   LYS  33          1HB       LYS  33  21.226   2.770  -1.631
  290   1HG   LYS  33          2HG       LYS  33  20.912   1.961   0.477
  291   2HG   LYS  33          1HG       LYS  33  20.830   0.282  -0.060
  292   1HD   LYS  33          2HD       LYS  33  22.879   0.337   1.003
  293   2HD   LYS  33          1HD       LYS  33  23.337   0.645  -0.673
  294   1HE   LYS  33          2HE       LYS  33  22.688   3.110   0.654
  295   2HE   LYS  33          1HE       LYS  33  23.898   2.221   1.579
  296   1HZ   LYS  33          1HZ       LYS  33  24.657   3.809  -0.280
  297   2HZ   LYS  33          2HZ       LYS  33  24.213   2.560  -1.330
  298   3HZ   LYS  33          3HZ       LYS  33  25.398   2.293  -0.153
  299    H    GLU  34           H        GLU  34  18.132  -0.578  -2.467
  300    HA   GLU  34           HA       GLU  34  19.754  -2.342  -4.133
  301   1HB   GLU  34          2HB       GLU  34  18.819  -2.950  -1.357
  302   2HB   GLU  34          1HB       GLU  34  18.870  -4.249  -2.540
  303   1HG   GLU  34          2HG       GLU  34  21.235  -2.501  -1.937
  304   2HG   GLU  34          1HG       GLU  34  20.893  -3.994  -1.065
  305    H    PHE  35           H        PHE  35  16.696  -2.269  -2.306
  306    HA   PHE  35           HA       PHE  35  15.322  -3.415  -4.630
  307   1HB   PHE  35          2HB       PHE  35  14.374  -3.088  -1.773
  308   2HB   PHE  35          1HB       PHE  35  13.482  -3.887  -3.063
  309    HD1  PHE  35           1HD      PHE  35  16.781  -4.056  -1.324
  310    HD2  PHE  35           2HD      PHE  35  13.634  -6.170  -3.255
  311    HE1  PHE  35           1HE      PHE  35  17.864  -6.188  -0.745
  312    HE2  PHE  35           2HE      PHE  35  14.711  -8.306  -2.680
  313    HZ   PHE  35           HZ       PHE  35  16.829  -8.317  -1.424
  314    H    PHE  36           H        PHE  36  12.953  -2.585  -4.821
  315    HA   PHE  36           HA       PHE  36  12.775   0.287  -4.298
  316   1HB   PHE  36          2HB       PHE  36  12.604  -0.984  -7.030
  317   2HB   PHE  36          1HB       PHE  36  11.944   0.610  -6.683
  318    HD1  PHE  36           1HD      PHE  36  13.611   2.303  -5.594
  319    HD2  PHE  36           2HD      PHE  36  14.780  -1.172  -7.756
  320    HE1  PHE  36           1HE      PHE  36  15.824   3.302  -5.998
  321    HE2  PHE  36           2HE      PHE  36  16.994  -0.180  -8.164
  322    HZ   PHE  36           HZ       PHE  36  17.518   2.060  -7.284
  323    H    ILE  37           H        ILE  37  10.729   1.045  -3.982
  324    HA   ILE  37           HA       ILE  37   8.545  -0.909  -4.267
  325    HB   ILE  37           HB       ILE  37   7.493   0.157  -2.260
  326   1HG1  ILE  37          2HG1      ILE  37   8.998   2.218  -2.396
  327   2HG1  ILE  37          1HG1      ILE  37   8.721   1.548  -0.795
  328   1HG2  ILE  37          1HG2      ILE  37   8.806  -1.115  -0.652
  329   2HG2  ILE  37          2HG2      ILE  37  10.136  -1.216  -1.806
  330   3HG2  ILE  37          3HG2      ILE  37   8.601  -2.011  -2.156
  331   1HD1  ILE  37          1HD1      ILE  37  11.197   1.640  -2.418
  332   2HD1  ILE  37          2HD1      ILE  37  10.964   0.263  -1.342
  333   3HD1  ILE  37          3HD1      ILE  37  10.960   1.901  -0.690
  334    H    ASN  38           H        ASN  38   6.962  -0.275  -5.522
  335    HA   ASN  38           HA       ASN  38   6.632   2.600  -6.065
  336   1HB   ASN  38          2HB       ASN  38   5.197   1.327  -8.029
  337   2HB   ASN  38          1HB       ASN  38   6.857   1.889  -8.199
  338   1HD2  ASN  38          1HD2      ASN  38   8.495   0.246  -7.279
  339   2HD2  ASN  38          2HD2      ASN  38   8.246  -1.395  -7.760
  340    H    SER  39           H        SER  39   4.333   3.233  -6.622
  341    HA   SER  39           HA       SER  39   2.208   1.640  -5.558
  342   1HB   SER  39          2HB       SER  39   1.633   2.906  -3.639
  343   2HB   SER  39          1HB       SER  39   3.369   2.624  -3.507
  344    HG   SER  39           HG       SER  39   2.628   4.835  -3.113
  345    H    ALA  40           H        ALA  40   0.379   2.145  -6.558
  346    HA   ALA  40           HA       ALA  40  -0.297   4.833  -7.311
  347   1HB   ALA  40          1HB       ALA  40   0.698   4.780  -9.316
  348   2HB   ALA  40          2HB       ALA  40  -0.600   3.680  -9.783
  349   3HB   ALA  40          3HB       ALA  40   0.950   3.036  -9.243
  350    H    GLY  41           H        GLY  41  -2.385   4.717  -8.765
  351   1HA   GLY  41          2HA       GLY  41  -4.220   2.986  -7.328
  352   2HA   GLY  41          1HA       GLY  41  -4.657   4.278  -8.437
  353    H    THR  42           H        THR  42  -6.135   2.148  -8.765
  354    HA   THR  42           HA       THR  42  -5.055   0.100 -10.402
  355    HB   THR  42           HB       THR  42  -7.873   0.475 -10.880
  356    HG1  THR  42           1HG      THR  42  -8.623   0.724  -8.871
  357   1HG2  THR  42          1HG2      THR  42  -6.752  -1.668 -11.035
  358   2HG2  THR  42          2HG2      THR  42  -7.985  -1.739  -9.776
  359   3HG2  THR  42          3HG2      THR  42  -6.284  -1.579  -9.337
  360    H    SER  43           H        SER  43  -6.977   3.000 -11.160
  361    HA   SER  43           HA       SER  43  -6.065   2.746 -13.950
  362   1HB   SER  43          2HB       SER  43  -8.215   3.714 -14.674
  363   2HB   SER  43          1HB       SER  43  -8.450   2.198 -13.805
  364    HG   SER  43           HG       SER  43  -9.896   3.600 -12.940
  365    H    GLY  44           H        GLY  44  -5.350   4.381 -11.383
  366   1HA   GLY  44          2HA       GLY  44  -4.532   6.478 -10.938
  367   2HA   GLY  44          1HA       GLY  44  -4.314   6.627 -12.675
  368    H    GLU  45           H        GLU  45  -7.474   6.079 -11.347
  369    HA   GLU  45           HA       GLU  45  -8.577   8.344 -12.602
  370   1HB   GLU  45          2HB       GLU  45 -10.598   7.814 -11.177
  371   2HB   GLU  45          1HB       GLU  45 -10.017   6.504 -12.193
  372   1HG   GLU  45          2HG       GLU  45  -8.668   5.891 -10.002
  373   2HG   GLU  45          1HG       GLU  45  -9.989   6.778  -9.243
  374    H    HIS  46           H        HIS  46  -7.488   7.765  -9.298
  375    HA   HIS  46           HA       HIS  46  -7.757  10.649  -8.799
  376   1HB   HIS  46          2HB       HIS  46  -8.602   8.379  -7.012
  377   2HB   HIS  46          1HB       HIS  46  -8.251   9.982  -6.370
  378    HD1  HIS  46           1HD      HIS  46  -9.579  11.653  -8.635
  379    HD2  HIS  46           2HD      HIS  46 -11.331   8.391  -6.749
  380    HE1  HIS  46           1HE      HIS  46 -12.058  11.946  -8.948
  381    HE2  HIS  46           2HE      HIS  46 -13.100   9.997  -7.739
  382    H    ASP  47           H        ASP  47  -5.992   7.684  -8.322
  383    HA   ASP  47           HA       ASP  47  -4.191   8.229  -6.368
  384   1HB   ASP  47          2HB       ASP  47  -3.866   6.144  -7.318
  385   2HB   ASP  47          1HB       ASP  47  -3.936   6.770  -8.966
  386    H    GLY  48           H        GLY  48  -3.052   9.985  -5.935
  387   1HA   GLY  48          2HA       GLY  48  -1.192  11.399  -6.369
  388   2HA   GLY  48          1HA       GLY  48  -1.489  11.217  -8.090
  389    H    GLU  49           H        GLU  49  -2.792  12.672  -5.134
  390    HA   GLU  49           HA       GLU  49  -3.435  15.084  -6.583
  391   1HB   GLU  49          2HB       GLU  49  -5.500  13.132  -5.818
  392   2HB   GLU  49          1HB       GLU  49  -5.830  14.780  -5.299
  393   1HG   GLU  49          2HG       GLU  49  -5.050  15.157  -7.882
  394   2HG   GLU  49          1HG       GLU  49  -5.875  13.601  -7.971
  395    H    GLY  50           H        GLY  50  -2.344  13.533  -3.921
  396   1HA   GLY  50          2HA       GLY  50  -1.369  15.110  -2.249
  397   2HA   GLY  50          1HA       GLY  50  -2.973  15.822  -2.158
  398    H    MET  51           H        MET  51  -4.277  15.125  -0.586
  399    HA   MET  51           HA       MET  51  -4.299  12.404   0.300
  400   1HB   MET  51          2HB       MET  51  -2.333  13.849   1.471
  401   2HB   MET  51          1HB       MET  51  -3.662  14.184   2.570
  402   1HG   MET  51          2HG       MET  51  -4.012  11.741   2.807
  403   2HG   MET  51          1HG       MET  51  -2.571  11.484   1.824
  404   1HE   MET  51          1HE       MET  51  -0.801  10.277   3.688
  405   2HE   MET  51          2HE       MET  51   0.259  11.633   4.074
  406   3HE   MET  51          3HE       MET  51  -0.410  11.473   2.451
  407    H    HIS  52           H        HIS  52  -5.530  12.534   2.675
  408    HA   HIS  52           HA       HIS  52  -7.631  14.526   2.632
  409   1HB   HIS  52          2HB       HIS  52  -8.044  12.121   1.267
  410   2HB   HIS  52          1HB       HIS  52  -8.878  11.912   2.804
  411    HD1  HIS  52           1HD      HIS  52  -8.665  14.674   0.178
  412    HD2  HIS  52           2HD      HIS  52 -11.425  12.781   2.642
  413    HE1  HIS  52           1HE      HIS  52 -10.878  15.747  -0.343
  414    HE2  HIS  52           2HE      HIS  52 -12.533  14.595   1.169
  415    H    TYR  53           H        TYR  53  -9.390  13.628   4.379
  416    HA   TYR  53           HA       TYR  53  -8.247  13.921   6.860
  417   1HB   TYR  53          2HB       TYR  53 -10.770  12.341   6.390
  418   2HB   TYR  53          1HB       TYR  53 -10.351  13.321   7.790
  419    HD1  TYR  53           1HD      TYR  53 -12.634  13.273   5.393
  420    HD2  TYR  53           2HD      TYR  53  -9.487  15.841   6.663
  421    HE1  TYR  53           1HE      TYR  53 -13.797  15.191   4.384
  422    HE2  TYR  53           2HE      TYR  53 -10.642  17.764   5.659
  423    HH   TYR  53           HH       TYR  53 -13.882  17.577   4.529
  424    H    GLY  54           H        GLY  54  -8.710  12.188   8.678
  425   1HA   GLY  54          2HA       GLY  54  -8.209  10.148   9.609
  426   2HA   GLY  54          1HA       GLY  54  -8.201   9.465   7.994
  427    H    THR  55           H        THR  55  -6.246   9.649   6.730
  428    HA   THR  55           HA       THR  55  -3.964   8.940   8.170
  429    HB   THR  55           HB       THR  55  -4.064   8.208   5.929
  430    HG1  THR  55           1HG      THR  55  -2.087   8.956   5.133
  431   1HG2  THR  55          1HG2      THR  55  -4.763  11.031   5.363
  432   2HG2  THR  55          2HG2      THR  55  -5.389   9.544   4.651
  433   3HG2  THR  55          3HG2      THR  55  -3.828  10.180   4.132
  434    H    LYS  56           H        LYS  56  -4.700  12.006   6.500
  435    HA   LYS  56           HA       LYS  56  -2.343  13.354   7.124
  436   1HB   LYS  56          2HB       LYS  56  -3.874  14.226   5.474
  437   2HB   LYS  56          1HB       LYS  56  -5.136  14.421   6.682
  438   1HG   LYS  56          2HG       LYS  56  -3.939  16.188   7.752
  439   2HG   LYS  56          1HG       LYS  56  -2.518  15.900   6.746
  440   1HD   LYS  56          2HD       LYS  56  -3.447  16.895   4.907
  441   2HD   LYS  56          1HD       LYS  56  -5.096  16.493   5.389
  442   1HE   LYS  56          2HE       LYS  56  -5.361  18.431   6.466
  443   2HE   LYS  56          1HE       LYS  56  -3.793  18.296   7.260
  444   1HZ   LYS  56          1HZ       LYS  56  -3.158  18.855   4.678
  445   2HZ   LYS  56          2HZ       LYS  56  -3.192  19.973   5.947
  446   3HZ   LYS  56          3HZ       LYS  56  -4.537  19.801   4.936
  447    H    ASN  57           H        ASN  57  -5.337  13.056   8.974
  448    HA   ASN  57           HA       ASN  57  -4.732  14.923  10.975
  449   1HB   ASN  57          2HB       ASN  57  -6.925  14.317  11.134
  450   2HB   ASN  57          1HB       ASN  57  -6.609  12.648  10.673
  451   1HD2  ASN  57          1HD2      ASN  57  -6.123  11.146  12.237
  452   2HD2  ASN  57          2HD2      ASN  57  -6.319  11.456  13.926
  453    H    LYS  58           H        LYS  58  -4.181  11.411  10.880
  454    HA   LYS  58           HA       LYS  58  -2.973  11.224  13.416
  455   1HB   LYS  58          2HB       LYS  58  -3.005   9.493  10.973
  456   2HB   LYS  58          1HB       LYS  58  -1.913   9.104  12.294
  457   1HG   LYS  58          2HG       LYS  58  -4.913   9.302  12.434
  458   2HG   LYS  58          1HG       LYS  58  -3.939   7.834  12.524
  459   1HD   LYS  58          2HD       LYS  58  -3.718  10.098  14.501
  460   2HD   LYS  58          1HD       LYS  58  -4.788   8.715  14.728
  461   1HE   LYS  58          2HE       LYS  58  -3.028   7.803  15.778
  462   2HE   LYS  58          1HE       LYS  58  -2.439   7.477  14.147
  463   1HZ   LYS  58          1HZ       LYS  58  -1.342   9.176  16.134
  464   2HZ   LYS  58          2HZ       LYS  58  -1.675  10.066  14.734
  465   3HZ   LYS  58          3HZ       LYS  58  -0.677   8.703  14.651
  466    H    LEU  59           H        LEU  59  -1.630  11.763  10.192
  467    HA   LEU  59           HA       LEU  59   1.085  11.605  10.947
  468   1HB   LEU  59          2HB       LEU  59  -0.124  13.169   8.667
  469   2HB   LEU  59          1HB       LEU  59   1.558  12.697   8.822
  470    HG   LEU  59           HG       LEU  59  -0.642  10.652   8.692
  471   1HD1  LEU  59          1HD1      LEU  59   0.906  11.757   6.357
  472   2HD1  LEU  59          2HD1      LEU  59  -0.778  12.136   6.719
  473   3HD1  LEU  59          3HD1      LEU  59  -0.313  10.482   6.318
  474   1HD2  LEU  59          1HD2      LEU  59   2.333  10.628   8.258
  475   2HD2  LEU  59          2HD2      LEU  59   1.278   9.311   7.744
  476   3HD2  LEU  59          3HD2      LEU  59   1.397   9.731   9.453
  477    H    ALA  60           H        ALA  60  -1.059  14.399  10.466
  478    HA   ALA  60           HA       ALA  60   0.748  16.412  11.110
  479   1HB   ALA  60          1HB       ALA  60  -1.095  17.850  11.317
  480   2HB   ALA  60          2HB       ALA  60  -2.163  16.547  11.837
  481   3HB   ALA  60          3HB       ALA  60  -1.615  16.623  10.162
  482    H    GLN  61           H        GLN  61  -1.066  14.236  13.144
  483    HA   GLN  61           HA       GLN  61  -0.859  15.578  15.591
  484   1HB   GLN  61          2HB       GLN  61  -1.492  12.873  14.686
  485   2HB   GLN  61          1HB       GLN  61  -0.704  12.901  16.258
  486   1HG   GLN  61          2HG       GLN  61  -2.527  14.849  16.609
  487   2HG   GLN  61          1HG       GLN  61  -3.381  13.819  15.461
  488   1HE2  GLN  61          1HE2      GLN  61  -2.565  11.333  16.191
  489   2HE2  GLN  61          2HE2      GLN  61  -3.110  10.973  17.790
  490    H    LEU  62           H        LEU  62   1.313  13.155  14.129
  491    HA   LEU  62           HA       LEU  62   3.529  14.299  15.627
  492   1HB   LEU  62          2HB       LEU  62   4.132  11.720  16.071
  493   2HB   LEU  62          1HB       LEU  62   3.305  12.740  17.233
  494    HG   LEU  62           HG       LEU  62   1.230  11.708  15.726
  495   1HD1  LEU  62          1HD1      LEU  62   3.470   9.741  15.900
  496   2HD1  LEU  62          2HD1      LEU  62   2.355  10.058  14.571
  497   3HD1  LEU  62          3HD1      LEU  62   1.798   9.192  16.003
  498   1HD2  LEU  62          1HD2      LEU  62   0.505  11.095  17.751
  499   2HD2  LEU  62          2HD2      LEU  62   1.982  11.848  18.354
  500   3HD2  LEU  62          3HD2      LEU  62   1.934  10.109  18.066
  501    H    ASN  63           H        ASN  63   2.464  11.843  13.304
  502    HA   ASN  63           HA       ASN  63   5.010  11.337  12.192
  503   1HB   ASN  63          2HB       ASN  63   2.390  11.068  10.719
  504   2HB   ASN  63          1HB       ASN  63   3.871  10.146  10.475
  505   1HD2  ASN  63          1HD2      ASN  63   0.880   9.860  11.581
  506   2HD2  ASN  63          2HD2      ASN  63   1.099   8.671  12.816
  507    H    ILE  64           H        ILE  64   4.578  11.612   9.428
  508    HA   ILE  64           HA       ILE  64   4.957  14.511   9.139
  509    HB   ILE  64           HB       ILE  64   5.776  12.361   7.187
  510   1HG1  ILE  64          2HG1      ILE  64   8.082  13.384   8.341
  511   2HG1  ILE  64          1HG1      ILE  64   6.987  13.202   9.708
  512   1HG2  ILE  64          1HG2      ILE  64   5.665  15.177   7.015
  513   2HG2  ILE  64          2HG2      ILE  64   6.340  14.038   5.850
  514   3HG2  ILE  64          3HG2      ILE  64   7.367  14.726   7.108
  515   1HD1  ILE  64          1HD1      ILE  64   6.955  10.933   9.555
  516   2HD1  ILE  64          2HD1      ILE  64   8.572  11.255   8.928
  517   3HD1  ILE  64          3HD1      ILE  64   7.243  10.933   7.815
  518    H    GLU  65           H        GLU  65   3.650  15.702   7.877
  519    HA   GLU  65           HA       GLU  65   1.148  14.756   7.065
  520   1HB   GLU  65          2HB       GLU  65   2.609  17.255   6.971
  521   2HB   GLU  65          1HB       GLU  65   1.647  17.027   5.517
  522   1HG   GLU  65          2HG       GLU  65  -0.233  17.495   6.589
  523   2HG   GLU  65          1HG       GLU  65   0.136  16.352   7.879
  524    H    HIS  66           H        HIS  66   0.444  15.421   4.640
  525    HA   HIS  66           HA       HIS  66   1.445  13.367   3.002
  526   1HB   HIS  66          2HB       HIS  66   0.001  14.270   1.263
  527   2HB   HIS  66          1HB       HIS  66  -0.846  14.253   2.805
  528    HD1  HIS  66           1HD      HIS  66  -1.106  16.185   0.114
  529    HD2  HIS  66           2HD      HIS  66   0.156  17.162   3.951
  530    HE1  HIS  66           1HE      HIS  66  -1.474  18.662   0.332
  531    HE2  HIS  66           2HE      HIS  66  -0.608  19.247   2.624
  532    H    LYS  67           H        LYS  67   2.969  13.296   1.495
  533    HA   LYS  67           HA       LYS  67   4.058  15.634   0.244
  534   1HB   LYS  67          2HB       LYS  67   5.530  14.234   2.438
  535   2HB   LYS  67          1HB       LYS  67   6.446  14.839   1.065
  536   1HG   LYS  67          2HG       LYS  67   6.530  16.794   2.099
  537   2HG   LYS  67          1HG       LYS  67   4.798  16.953   1.800
  538   1HD   LYS  67          2HD       LYS  67   4.428  16.879   3.990
  539   2HD   LYS  67          1HD       LYS  67   5.121  15.254   4.043
  540   1HE   LYS  67          2HE       LYS  67   6.681  17.831   4.236
  541   2HE   LYS  67          1HE       LYS  67   6.233  16.807   5.600
  542   1HZ   LYS  67          1HZ       LYS  67   7.443  15.044   4.005
  543   2HZ   LYS  67          2HZ       LYS  67   8.239  15.908   5.221
  544   3HZ   LYS  67          3HZ       LYS  67   8.314  16.442   3.618
  545    H    ASN  68           H        ASN  68   2.801  13.109  -0.418
  546    HA   ASN  68           HA       ASN  68   4.869  12.055  -2.223
  547   1HB   ASN  68          2HB       ASN  68   2.730  10.240  -1.173
  548   2HB   ASN  68          1HB       ASN  68   4.333   9.839  -1.781
  549   1HD2  ASN  68          1HD2      ASN  68   2.445  10.285   0.939
  550   2HD2  ASN  68          2HD2      ASN  68   3.700  10.323   2.126
  551    H    PHE  69           H        PHE  69   3.085  14.083  -2.859
  552    HA   PHE  69           HA       PHE  69   0.797  12.995  -4.211
  553   1HB   PHE  69          2HB       PHE  69   1.097  15.538  -5.218
  554   2HB   PHE  69          1HB       PHE  69   0.164  15.110  -3.790
  555    HD1  PHE  69           1HD      PHE  69   0.734  15.965  -1.701
  556    HD2  PHE  69           2HD      PHE  69   3.533  16.201  -4.897
  557    HE1  PHE  69           1HE      PHE  69   2.179  17.403  -0.322
  558    HE2  PHE  69           2HE      PHE  69   4.984  17.640  -3.525
  559    HZ   PHE  69           HZ       PHE  69   4.307  18.241  -1.234
  560    H    THR  70           H        THR  70   1.093  11.798  -5.979
  561    HA   THR  70           HA       THR  70   2.496  12.949  -8.241
  562    HB   THR  70           HB       THR  70   3.268  10.136  -7.574
  563    HG1  THR  70           1HG      THR  70   5.220  11.750  -6.777
  564   1HG2  THR  70          1HG2      THR  70   4.489  12.407  -9.133
  565   2HG2  THR  70          2HG2      THR  70   3.900  10.861  -9.743
  566   3HG2  THR  70          3HG2      THR  70   5.363  10.921  -8.762
  567    H    SER  71           H        SER  71   0.873  12.873  -9.673
  568    HA   SER  71           HA       SER  71  -1.206  10.982  -9.693
  569   1HB   SER  71          2HB       SER  71  -0.679  12.129 -12.317
  570   2HB   SER  71          1HB       SER  71  -2.075  12.337 -11.261
  571    HG   SER  71           HG       SER  71  -0.779  14.270 -11.709
  572    H    LYS  72           H        LYS  72  -0.745   8.868  -9.864
  573    HA   LYS  72           HA       LYS  72   0.806   8.010 -12.214
  574   1HB   LYS  72          2HB       LYS  72   0.782   6.784  -9.455
  575   2HB   LYS  72          1HB       LYS  72   1.515   6.029 -10.863
  576   1HG   LYS  72          2HG       LYS  72   2.312   8.740  -9.837
  577   2HG   LYS  72          1HG       LYS  72   3.096   7.238  -9.346
  578   1HD   LYS  72          2HD       LYS  72   2.802   7.778 -12.254
  579   2HD   LYS  72          1HD       LYS  72   4.012   8.697 -11.358
  580   1HE   LYS  72          2HE       LYS  72   3.925   5.765 -10.930
  581   2HE   LYS  72          1HE       LYS  72   4.542   6.340 -12.477
  582   1HZ   LYS  72          1HZ       LYS  72   5.771   7.919 -10.615
  583   2HZ   LYS  72          2HZ       LYS  72   6.468   6.615 -11.437
  584   3HZ   LYS  72          3HZ       LYS  72   5.782   6.380  -9.909
  585    H    LYS  73           H        LYS  73   0.370   5.535 -12.582
  586    HA   LYS  73           HA       LYS  73  -2.300   4.659 -11.975
  587   1HB   LYS  73          2HB       LYS  73  -2.938   4.484 -14.420
  588   2HB   LYS  73          1HB       LYS  73  -2.951   6.105 -13.739
  589   1HG   LYS  73          2HG       LYS  73  -0.398   5.359 -14.940
  590   2HG   LYS  73          1HG       LYS  73  -1.748   5.374 -16.076
  591   1HD   LYS  73          2HD       LYS  73  -2.320   7.659 -15.250
  592   2HD   LYS  73          1HD       LYS  73  -0.839   7.628 -14.291
  593   1HE   LYS  73          2HE       LYS  73   0.524   7.567 -16.214
  594   2HE   LYS  73          1HE       LYS  73  -0.839   7.172 -17.261
  595   1HZ   LYS  73          1HZ       LYS  73   0.093   9.592 -17.134
  596   2HZ   LYS  73          2HZ       LYS  73  -0.900   9.696 -15.771
  597   3HZ   LYS  73          3HZ       LYS  73  -1.570   9.320 -17.277
  598    H    LEU  74           H        LEU  74  -1.714   2.663 -11.361
  599    HA   LEU  74           HA       LEU  74   0.431   1.174 -12.328
  600   1HB   LEU  74          2HB       LEU  74  -0.271   0.189 -10.428
  601   2HB   LEU  74          1HB       LEU  74  -1.937   0.671 -10.673
  602    HG   LEU  74           HG       LEU  74  -1.472  -1.336 -12.576
  603   1HD1  LEU  74          1HD1      LEU  74  -0.486  -3.141 -11.483
  604   2HD1  LEU  74          2HD1      LEU  74  -0.571  -2.354  -9.908
  605   3HD1  LEU  74          3HD1      LEU  74   0.581  -1.786 -11.116
  606   1HD2  LEU  74          1HD2      LEU  74  -2.997  -2.638 -11.066
  607   2HD2  LEU  74          2HD2      LEU  74  -3.577  -1.035 -11.516
  608   3HD2  LEU  74          3HD2      LEU  74  -2.882  -1.304  -9.918
  609    H    THR  75           H        THR  75   0.778   0.145 -14.185
  610    HA   THR  75           HA       THR  75  -1.517  -0.812 -15.743
  611    HB   THR  75           HB       THR  75  -0.181  -0.057 -17.826
  612    HG1  THR  75           1HG      THR  75   0.742   2.033 -16.198
  613   1HG2  THR  75          1HG2      THR  75  -2.314   0.907 -17.329
  614   2HG2  THR  75          2HG2      THR  75  -1.206   2.229 -17.697
  615   3HG2  THR  75          3HG2      THR  75  -1.633   1.877 -16.023
  616    H    GLN  76           H        GLN  76  -0.222  -1.801 -17.923
  617    HA   GLN  76           HA       GLN  76   0.834  -4.230 -16.971
  618   1HB   GLN  76          2HB       GLN  76   1.216  -3.127 -19.755
  619   2HB   GLN  76          1HB       GLN  76   1.169  -4.815 -19.264
  620   1HG   GLN  76          2HG       GLN  76  -1.247  -3.332 -18.579
  621   2HG   GLN  76          1HG       GLN  76  -0.916  -3.398 -20.310
  622   1HE2  GLN  76          1HE2      GLN  76  -0.434  -5.577 -21.185
  623   2HE2  GLN  76          2HE2      GLN  76  -1.323  -6.915 -20.547
  624    H    LYS  77           H        LYS  77   2.404  -1.429 -18.503
  625    HA   LYS  77           HA       LYS  77   5.019  -2.425 -18.490
  626   1HB   LYS  77          2HB       LYS  77   4.086  -0.320 -19.636
  627   2HB   LYS  77          1HB       LYS  77   4.352   0.485 -18.097
  628   1HG   LYS  77          2HG       LYS  77   6.569   0.596 -18.394
  629   2HG   LYS  77          1HG       LYS  77   6.659  -1.023 -19.090
  630   1HD   LYS  77          2HD       LYS  77   6.866  -0.117 -21.109
  631   2HD   LYS  77          1HD       LYS  77   5.264   0.603 -20.933
  632   1HE   LYS  77          2HE       LYS  77   6.202   2.613 -20.912
  633   2HE   LYS  77          1HE       LYS  77   7.028   2.184 -19.414
  634   1HZ   LYS  77          1HZ       LYS  77   8.884   2.470 -20.587
  635   2HZ   LYS  77          2HZ       LYS  77   8.077   2.433 -22.073
  636   3HZ   LYS  77          3HZ       LYS  77   8.534   0.987 -21.324
  637    H    LEU  78           H        LEU  78   3.157  -0.744 -16.025
  638    HA   LEU  78           HA       LEU  78   5.278  -0.302 -14.210
  639   1HB   LEU  78          2HB       LEU  78   2.454   0.109 -14.294
  640   2HB   LEU  78          1HB       LEU  78   2.853  -0.680 -12.781
  641    HG   LEU  78           HG       LEU  78   4.739   1.396 -13.136
  642   1HD1  LEU  78          1HD1      LEU  78   3.516   2.674 -14.601
  643   2HD1  LEU  78          2HD1      LEU  78   2.924   3.274 -13.052
  644   3HD1  LEU  78          3HD1      LEU  78   1.968   2.111 -13.970
  645   1HD2  LEU  78          1HD2      LEU  78   2.751   2.155 -11.277
  646   2HD2  LEU  78          2HD2      LEU  78   4.321   1.417 -10.958
  647   3HD2  LEU  78          3HD2      LEU  78   2.900   0.400 -11.200
  648    H    CYS  79           H        CYS  79   2.906  -2.914 -14.534
  649    HA   CYS  79           HA       CYS  79   3.808  -4.378 -12.274
  650   1HB   CYS  79          2HB       CYS  79   2.062  -5.729 -12.727
  651   2HB   CYS  79          1HB       CYS  79   1.634  -4.534 -13.946
  652    HG   CYS  79           HG       CYS  79   2.438  -5.904 -16.094
  653    H    ASP  80           H        ASP  80   4.866  -4.120 -15.555
  654    HA   ASP  80           HA       ASP  80   6.232  -6.558 -15.832
  655   1HB   ASP  80          2HB       ASP  80   5.786  -4.411 -17.456
  656   2HB   ASP  80          1HB       ASP  80   7.498  -4.214 -17.097
  657    H    GLU  81           H        GLU  81   6.943  -3.727 -14.013
  658    HA   GLU  81           HA       GLU  81   9.744  -4.464 -13.651
  659   1HB   GLU  81          2HB       GLU  81   8.127  -2.102 -12.684
  660   2HB   GLU  81          1HB       GLU  81   9.816  -2.363 -12.271
  661   1HG   GLU  81          2HG       GLU  81   9.675  -2.573 -15.057
  662   2HG   GLU  81          1HG       GLU  81   8.674  -1.189 -14.623
  663    H    SER  82           H        SER  82   6.959  -3.687 -11.563
  664    HA   SER  82           HA       SER  82   8.058  -4.595  -9.173
  665   1HB   SER  82          2HB       SER  82   6.019  -4.140  -8.258
  666   2HB   SER  82          1HB       SER  82   5.777  -3.331  -9.806
  667    HG   SER  82           HG       SER  82   4.622  -5.623  -8.809
  668    H    ASP  83           H        ASP  83   8.272  -6.524  -8.214
  669    HA   ASP  83           HA       ASP  83   7.601  -8.893  -9.785
  670   1HB   ASP  83          2HB       ASP  83   9.817  -8.193  -8.242
  671   2HB   ASP  83          1HB       ASP  83   8.976  -9.399  -7.274
  672    H    PHE  84           H        PHE  84   6.748  -7.244  -6.847
  673    HA   PHE  84           HA       PHE  84   4.828  -9.396  -6.226
  674   1HB   PHE  84          2HB       PHE  84   6.227  -7.504  -4.323
  675   2HB   PHE  84          1HB       PHE  84   4.953  -8.629  -3.861
  676    HD1  PHE  84           1HD      PHE  84   5.359 -11.058  -3.949
  677    HD2  PHE  84           2HD      PHE  84   8.459  -8.233  -4.669
  678    HE1  PHE  84           1HE      PHE  84   7.041 -12.819  -3.595
  679    HE2  PHE  84           2HE      PHE  84  10.147  -9.988  -4.316
  680    HZ   PHE  84           HZ       PHE  84   9.438 -12.285  -3.778
  681    H    LEU  85           H        LEU  85   2.791  -8.833  -6.590
  682    HA   LEU  85           HA       LEU  85   2.099  -5.982  -6.652
  683   1HB   LEU  85          2HB       LEU  85   1.524  -8.068  -8.386
  684   2HB   LEU  85          1HB       LEU  85   0.026  -7.838  -7.505
  685    HG   LEU  85           HG       LEU  85   0.283  -5.345  -8.110
  686   1HD1  LEU  85          1HD1      LEU  85   1.559  -4.850 -10.082
  687   2HD1  LEU  85          2HD1      LEU  85   2.057  -6.535 -10.234
  688   3HD1  LEU  85          3HD1      LEU  85   2.629  -5.565  -8.877
  689   1HD2  LEU  85          1HD2      LEU  85  -0.311  -7.416 -10.220
  690   2HD2  LEU  85          2HD2      LEU  85  -0.789  -5.719 -10.292
  691   3HD2  LEU  85          3HD2      LEU  85  -1.445  -6.768  -9.036
  692    H    ILE  86           H        ILE  86   0.447  -5.125  -5.437
  693    HA   ILE  86           HA       ILE  86  -0.934  -6.901  -3.552
  694    HB   ILE  86           HB       ILE  86   0.302  -4.276  -2.711
  695   1HG1  ILE  86          2HG1      ILE  86   1.640  -6.048  -1.236
  696   2HG1  ILE  86          1HG1      ILE  86   1.326  -7.075  -2.631
  697   1HG2  ILE  86          1HG2      ILE  86  -1.183  -4.453  -1.060
  698   2HG2  ILE  86          2HG2      ILE  86  -0.226  -5.814  -0.478
  699   3HG2  ILE  86          3HG2      ILE  86  -1.618  -6.098  -1.523
  700   1HD1  ILE  86          1HD1      ILE  86   2.679  -4.392  -2.734
  701   2HD1  ILE  86          2HD1      ILE  86   2.447  -5.509  -4.079
  702   3HD1  ILE  86          3HD1      ILE  86   3.503  -5.952  -2.739
  703    H    THR  87           H        THR  87  -3.022  -6.343  -3.109
  704    HA   THR  87           HA       THR  87  -4.121  -4.132  -4.680
  705    HB   THR  87           HB       THR  87  -6.239  -5.536  -3.488
  706    HG1  THR  87           1HG      THR  87  -5.720  -7.615  -3.579
  707   1HG2  THR  87          1HG2      THR  87  -5.038  -5.355  -6.220
  708   2HG2  THR  87          2HG2      THR  87  -6.591  -4.758  -5.636
  709   3HG2  THR  87          3HG2      THR  87  -6.363  -6.482  -5.925
  710    H    MET  88           H        MET  88  -4.458  -5.540  -1.423
  711    HA   MET  88           HA       MET  88  -4.719  -4.577   0.616
  712   1HB   MET  88          2HB       MET  88  -4.684  -1.880  -0.746
  713   2HB   MET  88          1HB       MET  88  -4.431  -2.213   0.963
  714   1HG   MET  88          2HG       MET  88  -2.405  -3.567   0.229
  715   2HG   MET  88          1HG       MET  88  -2.608  -2.795  -1.343
  716   1HE   MET  88          1HE       MET  88  -1.236   0.642  -0.983
  717   2HE   MET  88          2HE       MET  88  -2.721  -0.091  -1.587
  718   3HE   MET  88          3HE       MET  88  -1.164  -0.847  -1.924
  719    H    ASP  89           H        ASP  89  -6.590  -3.068  -1.989
  720    HA   ASP  89           HA       ASP  89  -8.850  -2.590  -0.263
  721   1HB   ASP  89          2HB       ASP  89  -8.829  -2.472  -3.279
  722   2HB   ASP  89          1HB       ASP  89  -9.916  -1.639  -2.173
  723    H    ASN  90           H        ASN  90 -10.838  -3.687  -0.354
  724    HA   ASN  90           HA       ASN  90 -10.624  -6.475  -0.767
  725   1HB   ASN  90          2HB       ASN  90 -12.978  -4.686  -0.170
  726   2HB   ASN  90          1HB       ASN  90 -13.125  -6.435  -0.312
  727   1HD2  ASN  90          1HD2      ASN  90 -13.125  -7.427   1.557
  728   2HD2  ASN  90          2HD2      ASN  90 -12.265  -6.942   2.974
  729    H    SER  91           H        SER  91 -12.870  -4.186  -2.341
  730    HA   SER  91           HA       SER  91 -13.717  -5.941  -4.338
  731   1HB   SER  91          2HB       SER  91 -13.873  -3.348  -5.427
  732   2HB   SER  91          1HB       SER  91 -15.144  -4.239  -4.592
  733    HG   SER  91           HG       SER  91 -14.518  -2.102  -3.720
  734    H    ASN  92           H        ASN  92 -10.904  -3.854  -4.209
  735    HA   ASN  92           HA       ASN  92 -10.264  -3.801  -6.930
  736   1HB   ASN  92          2HB       ASN  92  -8.763  -3.394  -4.402
  737   2HB   ASN  92          1HB       ASN  92  -7.816  -3.679  -5.860
  738   1HD2  ASN  92          1HD2      ASN  92  -7.142  -1.432  -5.214
  739   2HD2  ASN  92          2HD2      ASN  92  -8.043  -0.123  -5.893
  740    H    PHE  93           H        PHE  93  -9.986  -6.357  -4.620
  741    HA   PHE  93           HA       PHE  93  -7.958  -7.875  -5.859
  742   1HB   PHE  93          2HB       PHE  93  -8.776  -8.260  -3.545
  743   2HB   PHE  93          1HB       PHE  93 -10.285  -8.877  -4.207
  744    HD1  PHE  93           1HD      PHE  93  -6.694  -9.461  -5.056
  745    HD2  PHE  93           2HD      PHE  93 -10.425 -11.140  -3.884
  746    HE1  PHE  93           1HE      PHE  93  -5.715 -11.714  -5.183
  747    HE2  PHE  93           2HE      PHE  93  -9.453 -13.397  -4.008
  748    HZ   PHE  93           HZ       PHE  93  -7.095 -13.686  -4.658
  749    H    LYS  94           H        LYS  94 -11.507  -8.229  -6.016
  750    HA   LYS  94           HA       LYS  94 -11.446 -10.213  -8.035
  751   1HB   LYS  94          2HB       LYS  94 -13.380  -9.141  -6.385
  752   2HB   LYS  94          1HB       LYS  94 -13.864  -8.564  -7.974
  753   1HG   LYS  94          2HG       LYS  94 -13.152 -11.426  -7.749
  754   2HG   LYS  94          1HG       LYS  94 -14.653 -10.903  -6.983
  755   1HD   LYS  94          2HD       LYS  94 -14.471  -9.718  -9.574
  756   2HD   LYS  94          1HD       LYS  94 -14.180 -11.453  -9.716
  757   1HE   LYS  94          2HE       LYS  94 -16.271 -11.647  -8.171
  758   2HE   LYS  94          1HE       LYS  94 -16.605 -10.008  -8.731
  759   1HZ   LYS  94          1HZ       LYS  94 -16.863 -12.509 -10.125
  760   2HZ   LYS  94          2HZ       LYS  94 -16.037 -11.336 -11.020
  761   3HZ   LYS  94          3HZ       LYS  94 -17.593 -11.015 -10.440
  762    H    ASN  95           H        ASN  95 -11.388  -6.737  -8.088
  763    HA   ASN  95           HA       ASN  95 -12.190  -6.357 -10.775
  764   1HB   ASN  95          2HB       ASN  95 -11.857  -4.657  -8.766
  765   2HB   ASN  95          1HB       ASN  95 -10.262  -4.473  -9.491
  766   1HD2  ASN  95          1HD2      ASN  95 -10.247  -4.015 -11.845
  767   2HD2  ASN  95          2HD2      ASN  95 -11.469  -2.961 -12.464
  768    H    VAL  96           H        VAL  96  -8.936  -6.317  -9.306
  769    HA   VAL  96           HA       VAL  96  -7.542  -6.150 -11.750
  770    HB   VAL  96           HB       VAL  96  -5.549  -6.809 -10.482
  771   1HG1  VAL  96          1HG1      VAL  96  -7.360  -4.849  -9.083
  772   2HG1  VAL  96          2HG1      VAL  96  -6.202  -4.504 -10.368
  773   3HG1  VAL  96          3HG1      VAL  96  -5.630  -5.005  -8.778
  774   1HG2  VAL  96          1HG2      VAL  96  -7.141  -8.378  -9.003
  775   2HG2  VAL  96          2HG2      VAL  96  -7.025  -6.986  -7.927
  776   3HG2  VAL  96          3HG2      VAL  96  -5.562  -7.817  -8.454
  777    H    LEU  97           H        LEU  97  -8.970  -8.808 -10.065
  778    HA   LEU  97           HA       LEU  97  -7.473 -10.957 -10.979
  779   1HB   LEU  97          2HB       LEU  97  -9.946 -10.568  -9.670
  780   2HB   LEU  97          1HB       LEU  97 -10.257 -11.640 -11.023
  781    HG   LEU  97           HG       LEU  97  -7.888 -12.508  -9.658
  782   1HD1  LEU  97          1HD1      LEU  97  -8.630 -11.494  -7.662
  783   2HD1  LEU  97          2HD1      LEU  97  -9.084 -13.195  -7.541
  784   3HD1  LEU  97          3HD1      LEU  97 -10.300 -11.984  -7.946
  785   1HD2  LEU  97          1HD2      LEU  97  -9.727 -13.685 -11.118
  786   2HD2  LEU  97          2HD2      LEU  97 -10.491 -13.951  -9.550
  787   3HD2  LEU  97          3HD2      LEU  97  -8.868 -14.569  -9.857
  788    H    LYS  98           H        LYS  98 -10.115  -9.234 -12.586
  789    HA   LYS  98           HA       LYS  98  -9.694 -10.875 -14.985
  790   1HB   LYS  98          2HB       LYS  98 -12.007  -9.549 -13.794
  791   2HB   LYS  98          1HB       LYS  98 -11.840  -9.209 -15.511
  792   1HG   LYS  98          2HG       LYS  98 -11.872 -11.558 -16.031
  793   2HG   LYS  98          1HG       LYS  98 -11.875 -11.971 -14.316
  794   1HD   LYS  98          2HD       LYS  98 -14.105 -12.057 -14.533
  795   2HD   LYS  98          1HD       LYS  98 -14.028 -10.295 -14.509
  796   1HE   LYS  98          2HE       LYS  98 -13.525 -10.772 -17.119
  797   2HE   LYS  98          1HE       LYS  98 -14.568 -12.143 -16.740
  798   1HZ   LYS  98          1HZ       LYS  98 -15.239  -9.380 -17.043
  799   2HZ   LYS  98          2HZ       LYS  98 -15.822 -10.015 -15.589
  800   3HZ   LYS  98          3HZ       LYS  98 -16.246 -10.741 -17.057
  801    H    ASN  99           H        ASN  99  -9.334  -7.678 -13.714
  802    HA   ASN  99           HA       ASN  99  -9.224  -6.183 -16.074
  803   1HB   ASN  99          2HB       ASN  99  -8.655  -5.773 -13.301
  804   2HB   ASN  99          1HB       ASN  99  -7.329  -5.110 -14.252
  805   1HD2  ASN  99          1HD2      ASN  99 -10.820  -5.327 -14.821
  806   2HD2  ASN  99          2HD2      ASN  99 -11.060  -3.632 -15.059
  807    H    PHE 100           H        PHE 100  -6.635  -7.858 -14.309
  808    HA   PHE 100           HA       PHE 100  -4.807  -7.305 -16.532
  809   1HB   PHE 100          2HB       PHE 100  -4.368  -8.190 -13.688
  810   2HB   PHE 100          1HB       PHE 100  -3.093  -8.300 -14.897
  811    HD1  PHE 100           1HD      PHE 100  -1.979  -6.348 -15.709
  812    HD2  PHE 100           2HD      PHE 100  -5.211  -6.014 -12.962
  813    HE1  PHE 100           1HE      PHE 100  -1.386  -3.994 -15.305
  814    HE2  PHE 100           2HE      PHE 100  -4.626  -3.660 -12.554
  815    HZ   PHE 100           HZ       PHE 100  -2.711  -2.646 -13.725
  816    H    THR 101           H        THR 101  -3.084  -9.276 -16.606
  817    HA   THR 101           HA       THR 101  -4.529 -11.413 -17.826
  818    HB   THR 101           HB       THR 101  -1.739 -12.037 -17.331
  819    HG1  THR 101           1HG      THR 101  -0.952 -10.233 -18.592
  820   1HG2  THR 101          1HG2      THR 101  -1.923 -11.637 -19.979
  821   2HG2  THR 101          2HG2      THR 101  -3.635 -11.819 -19.594
  822   3HG2  THR 101          3HG2      THR 101  -2.497 -13.105 -19.186
  823    H    ASN 102           H        ASN 102  -3.159 -13.681 -17.267
  824    HA   ASN 102           HA       ASN 102  -4.385 -14.561 -14.860
  825   1HB   ASN 102          2HB       ASN 102  -3.034 -16.692 -15.384
  826   2HB   ASN 102          1HB       ASN 102  -4.262 -16.186 -16.541
  827   1HD2  ASN 102          1HD2      ASN 102  -3.169 -17.403 -18.135
  828   2HD2  ASN 102          2HD2      ASN 102  -1.744 -16.792 -18.897
  829    H    THR 103           H        THR 103  -1.935 -12.572 -14.936
  830    HA   THR 103           HA       THR 103  -0.092 -13.983 -13.188
  831    HB   THR 103           HB       THR 103   0.752 -12.419 -14.939
  832    HG1  THR 103           1HG      THR 103   1.590 -12.745 -12.498
  833   1HG2  THR 103          1HG2      THR 103  -0.084 -10.366 -15.147
  834   2HG2  THR 103          2HG2      THR 103   0.435  -9.973 -13.508
  835   3HG2  THR 103          3HG2      THR 103  -1.160 -10.673 -13.783
  836    H    GLN 104           H        GLN 104  -2.990 -12.845 -12.616
  837    HA   GLN 104           HA       GLN 104  -2.654 -11.007 -10.479
  838   1HB   GLN 104          2HB       GLN 104  -5.044 -11.928  -9.890
  839   2HB   GLN 104          1HB       GLN 104  -4.800 -10.923 -11.312
  840   1HG   GLN 104          2HG       GLN 104  -6.216 -12.756 -11.895
  841   2HG   GLN 104          1HG       GLN 104  -4.654 -12.976 -12.683
  842   1HE2  GLN 104          1HE2      GLN 104  -3.447 -14.735 -12.218
  843   2HE2  GLN 104          2HE2      GLN 104  -3.943 -15.998 -11.148
  844    H    ASN 105           H        ASN 105  -1.907 -14.248 -10.706
  845    HA   ASN 105           HA       ASN 105  -2.633 -15.120  -8.089
  846   1HB   ASN 105          2HB       ASN 105  -2.179 -16.616 -10.075
  847   2HB   ASN 105          1HB       ASN 105  -0.467 -16.273  -9.852
  848   1HD2  ASN 105          1HD2      ASN 105  -3.316 -17.476  -8.139
  849   2HD2  ASN 105          2HD2      ASN 105  -2.462 -18.608  -7.152
  850    H    LYS 106           H        LYS 106  -0.357 -12.932  -9.128
  851    HA   LYS 106           HA       LYS 106   1.462 -13.503  -6.889
  852   1HB   LYS 106          2HB       LYS 106   1.811 -12.216  -9.547
  853   2HB   LYS 106          1HB       LYS 106   2.782 -11.594  -8.219
  854   1HG   LYS 106          2HG       LYS 106   3.435 -14.038  -7.810
  855   2HG   LYS 106          1HG       LYS 106   2.787 -14.335  -9.424
  856   1HD   LYS 106          2HD       LYS 106   4.309 -12.382 -10.152
  857   2HD   LYS 106          1HD       LYS 106   5.130 -12.649  -8.612
  858   1HE   LYS 106          2HE       LYS 106   5.476 -15.012  -9.249
  859   2HE   LYS 106          1HE       LYS 106   4.738 -14.672 -10.814
  860   1HZ   LYS 106          1HZ       LYS 106   7.281 -14.616 -10.609
  861   2HZ   LYS 106          2HZ       LYS 106   7.056 -13.104  -9.884
  862   3HZ   LYS 106          3HZ       LYS 106   6.518 -13.372 -11.465
  863    H    VAL 107           H        VAL 107  -1.227 -12.114  -6.904
  864    HA   VAL 107           HA       VAL 107  -0.381  -9.507  -5.827
  865    HB   VAL 107           HB       VAL 107  -3.200 -10.279  -6.562
  866   1HG1  VAL 107          1HG1      VAL 107  -2.138  -8.102  -5.185
  867   2HG1  VAL 107          2HG1      VAL 107  -3.761  -8.244  -5.862
  868   3HG1  VAL 107          3HG1      VAL 107  -2.474  -7.496  -6.808
  869   1HG2  VAL 107          1HG2      VAL 107  -1.800  -8.483  -8.394
  870   2HG2  VAL 107          2HG2      VAL 107  -2.867  -9.846  -8.734
  871   3HG2  VAL 107          3HG2      VAL 107  -1.161 -10.127  -8.382
  872    H    LEU 108           H        LEU 108  -0.831  -8.953  -3.752
  873    HA   LEU 108           HA       LEU 108  -1.980 -11.055  -2.054
  874   1HB   LEU 108          2HB       LEU 108  -0.607  -8.695  -0.881
  875   2HB   LEU 108          1HB       LEU 108  -0.625 -10.363  -0.342
  876    HG   LEU 108           HG       LEU 108   0.881  -9.497  -2.800
  877   1HD1  LEU 108          1HD1      LEU 108   2.165  -9.881  -0.124
  878   2HD1  LEU 108          2HD1      LEU 108   1.544  -8.305  -0.613
  879   3HD1  LEU 108          3HD1      LEU 108   2.804  -9.090  -1.565
  880   1HD2  LEU 108          1HD2      LEU 108   0.950 -11.739  -2.964
  881   2HD2  LEU 108          2HD2      LEU 108   0.530 -11.979  -1.268
  882   3HD2  LEU 108          3HD2      LEU 108   2.193 -11.604  -1.719
  883    H    LYS 109           H        LYS 109  -3.431 -10.460  -0.337
  884    HA   LYS 109           HA       LYS 109  -4.897  -7.961  -0.858
  885   1HB   LYS 109          2HB       LYS 109  -6.485 -10.096   0.350
  886   2HB   LYS 109          1HB       LYS 109  -6.862  -9.045  -1.006
  887   1HG   LYS 109          2HG       LYS 109  -6.128 -10.532  -2.546
  888   2HG   LYS 109          1HG       LYS 109  -4.874 -11.180  -1.488
  889   1HD   LYS 109          2HD       LYS 109  -7.634 -11.685  -0.608
  890   2HD   LYS 109          1HD       LYS 109  -7.172 -12.476  -2.117
  891   1HE   LYS 109          2HE       LYS 109  -5.571 -12.634   0.431
  892   2HE   LYS 109          1HE       LYS 109  -6.765 -13.836  -0.059
  893   1HZ   LYS 109          1HZ       LYS 109  -5.482 -14.414  -1.936
  894   2HZ   LYS 109          2HZ       LYS 109  -4.401 -14.359  -0.636
  895   3HZ   LYS 109          3HZ       LYS 109  -4.449 -13.086  -1.749
  896    H    ILE 110           H        ILE 110  -4.813  -6.610   0.801
  897    HA   ILE 110           HA       ILE 110  -3.779  -7.298   3.334
  898    HB   ILE 110           HB       ILE 110  -5.269  -4.869   2.355
  899   1HG1  ILE 110          2HG1      ILE 110  -2.964  -5.257   1.527
  900   2HG1  ILE 110          1HG1      ILE 110  -3.095  -3.796   2.498
  901   1HG2  ILE 110          1HG2      ILE 110  -5.740  -5.198   4.755
  902   2HG2  ILE 110          2HG2      ILE 110  -4.782  -3.752   4.438
  903   3HG2  ILE 110          3HG2      ILE 110  -4.005  -5.202   5.071
  904   1HD1  ILE 110          1HD1      ILE 110  -2.115  -4.949   4.395
  905   2HD1  ILE 110          2HD1      ILE 110  -1.058  -5.046   2.987
  906   3HD1  ILE 110          3HD1      ILE 110  -2.029  -6.441   3.460
  907    H    THR 111           H        THR 111  -7.028  -7.147   2.048
  908    HA   THR 111           HA       THR 111  -8.486  -7.132   4.435
  909    HB   THR 111           HB       THR 111  -9.792  -6.785   2.533
  910    HG1  THR 111           1HG      THR 111 -10.925  -9.090   2.418
  911   1HG2  THR 111          1HG2      THR 111  -8.802  -7.479   0.625
  912   2HG2  THR 111          2HG2      THR 111  -9.816  -8.906   0.844
  913   3HG2  THR 111          3HG2      THR 111  -8.135  -8.928   1.376
  914    H    ASP 112           H        ASP 112  -6.785  -9.688   2.784
  915    HA   ASP 112           HA       ASP 112  -7.955 -11.799   4.368
  916   1HB   ASP 112          2HB       ASP 112  -6.959 -11.933   1.954
  917   2HB   ASP 112          1HB       ASP 112  -5.420 -12.103   2.791
  918    H    PHE 113           H        PHE 113  -5.203  -9.696   4.514
  919    HA   PHE 113           HA       PHE 113  -3.939 -11.260   6.623
  920   1HB   PHE 113          2HB       PHE 113  -3.108  -8.670   5.297
  921   2HB   PHE 113          1HB       PHE 113  -2.170  -9.516   6.523
  922    HD1  PHE 113           1HD      PHE 113  -2.142 -12.243   5.807
  923    HD2  PHE 113           2HD      PHE 113  -2.139  -8.854   3.234
  924    HE1  PHE 113           1HE      PHE 113  -1.056 -13.582   4.050
  925    HE2  PHE 113           2HE      PHE 113  -1.056 -10.186   1.473
  926    HZ   PHE 113           HZ       PHE 113  -0.513 -12.553   1.880
  927    H    SER 114           H        SER 114  -6.462  -9.248   6.503
  928    HA   SER 114           HA       SER 114  -5.814  -7.821   8.982
  929   1HB   SER 114          2HB       SER 114  -7.299  -6.186   8.375
  930   2HB   SER 114          1HB       SER 114  -6.908  -6.791   6.766
  931    HG   SER 114           HG       SER 114  -9.272  -6.683   7.897
  932    HA   PRO 115           HA       PRO 115  -8.201 -11.037  11.000
  933   1HB   PRO 115          2HB       PRO 115  -7.700  -9.496  13.443
  934   2HB   PRO 115          1HB       PRO 115  -7.184 -11.131  13.026
  935   1HG   PRO 115          2HG       PRO 115  -5.451  -9.069  13.168
  936   2HG   PRO 115          1HG       PRO 115  -5.245 -10.404  12.019
  937   1HD   PRO 115          2HD       PRO 115  -6.327  -7.649  11.551
  938   2HD   PRO 115          1HD       PRO 115  -5.225  -8.612  10.542
  939    H    SER 116           H        SER 116  -8.863  -8.797  13.470
  940    HA   SER 116           HA       SER 116 -11.659  -8.704  12.674
  941   1HB   SER 116          2HB       SER 116 -10.729  -9.282  15.045
  942   2HB   SER 116          1HB       SER 116 -10.597  -7.533  15.228
  943    HG   SER 116           HG       SER 116 -12.853  -9.147  15.071
  944    H    LEU 117           H        LEU 117  -9.525  -7.053  11.381
  945    HA   LEU 117           HA       LEU 117  -9.883  -4.352  12.197
  946   1HB   LEU 117          2HB       LEU 117  -8.596  -5.759   9.930
  947   2HB   LEU 117          1HB       LEU 117  -9.051  -4.090   9.650
  948    HG   LEU 117           HG       LEU 117  -7.160  -5.124  11.764
  949   1HD1  LEU 117          1HD1      LEU 117  -5.556  -4.699  10.296
  950   2HD1  LEU 117          2HD1      LEU 117  -6.140  -3.047  10.089
  951   3HD1  LEU 117          3HD1      LEU 117  -6.787  -4.345   9.084
  952   1HD2  LEU 117          1HD2      LEU 117  -8.764  -2.737  11.740
  953   2HD2  LEU 117          2HD2      LEU 117  -7.051  -2.328  11.643
  954   3HD2  LEU 117          3HD2      LEU 117  -7.647  -3.323  12.972
  955    H    ASN 118           H        ASN 118 -11.304  -6.326   9.610
  956    HA   ASN 118           HA       ASN 118 -13.074  -5.964   8.210
  957   1HB   ASN 118          2HB       ASN 118 -14.129  -6.091  10.542
  958   2HB   ASN 118          1HB       ASN 118 -14.247  -4.337  10.464
  959   1HD2  ASN 118          1HD2      ASN 118 -14.812  -6.969   8.151
  960   2HD2  ASN 118          2HD2      ASN 118 -16.410  -6.475   7.720
  961    H    TYR 119           H        TYR 119 -11.608  -4.569   6.933
  962    HA   TYR 119           HA       TYR 119 -12.643  -1.821   6.859
  963   1HB   TYR 119          2HB       TYR 119 -10.625  -1.001   7.327
  964   2HB   TYR 119          1HB       TYR 119  -9.999  -2.634   7.491
  965    HD1  TYR 119           1HD      TYR 119  -8.961  -3.751   5.488
  966    HD2  TYR 119           2HD      TYR 119 -10.041   0.364   5.499
  967    HE1  TYR 119           1HE      TYR 119  -7.480  -3.366   3.559
  968    HE2  TYR 119           2HE      TYR 119  -8.573   0.764   3.573
  969    HH   TYR 119           HH       TYR 119  -7.338  -0.222   1.957
  970    H    ASP 120           H        ASP 120 -12.806  -0.847   4.838
  971    HA   ASP 120           HA       ASP 120 -13.017  -2.722   2.616
  972   1HB   ASP 120          2HB       ASP 120 -13.797   0.084   2.187
  973   2HB   ASP 120          1HB       ASP 120 -14.666  -1.400   1.809
  974    H    GLU 121           H        GLU 121 -12.770   0.189   1.232
  975    HA   GLU 121           HA       GLU 121  -9.976  -0.276   0.475
  976   1HB   GLU 121          2HB       GLU 121 -11.851   1.609  -0.929
  977   2HB   GLU 121          1HB       GLU 121 -10.422   0.809  -1.565
  978   1HG   GLU 121          2HG       GLU 121 -12.028  -0.448  -2.556
  979   2HG   GLU 121          1HG       GLU 121 -11.837  -1.358  -1.058
  980    H    VAL 122           H        VAL 122  -8.643   0.804   1.752
  981    HA   VAL 122           HA       VAL 122  -7.629   2.407   2.957
  982    HB   VAL 122           HB       VAL 122  -7.284   4.510   1.977
  983   1HG1  VAL 122          1HG1      VAL 122  -6.700   3.984  -0.254
  984   2HG1  VAL 122          2HG1      VAL 122  -7.960   2.755  -0.369
  985   3HG1  VAL 122          3HG1      VAL 122  -6.560   2.488   0.670
  986   1HG2  VAL 122          1HG2      VAL 122  -9.377   4.452  -0.063
  987   2HG2  VAL 122          2HG2      VAL 122  -8.797   5.785   0.936
  988   3HG2  VAL 122          3HG2      VAL 122  -9.974   4.643   1.585
  989    HA   PRO 123           HA       PRO 123 -10.505   3.692   6.033
  990   1HB   PRO 123          2HB       PRO 123  -8.269   5.123   7.270
  991   2HB   PRO 123          1HB       PRO 123  -9.166   3.722   7.856
  992   1HG   PRO 123          2HG       PRO 123  -6.622   3.528   7.014
  993   2HG   PRO 123          1HG       PRO 123  -7.797   2.223   6.765
  994   1HD   PRO 123          2HD       PRO 123  -6.845   4.307   4.831
  995   2HD   PRO 123          1HD       PRO 123  -7.092   2.565   4.575
  996    H    ASP 124           H        ASP 124  -9.555   6.138   7.539
  997    HA   ASP 124           HA       ASP 124  -9.832   8.395   7.600
  998   1HB   ASP 124          2HB       ASP 124  -8.912   9.366   5.808
  999   2HB   ASP 124          1HB       ASP 124  -9.198   7.930   4.833
 1000    HA   PRO 125           HA       PRO 125 -14.150   8.780   8.241
 1001   1HB   PRO 125          2HB       PRO 125 -13.817  11.606   7.356
 1002   2HB   PRO 125          1HB       PRO 125 -14.554  10.966   8.829
 1003   1HG   PRO 125          2HG       PRO 125 -12.131  12.058   8.894
 1004   2HG   PRO 125          1HG       PRO 125 -12.505  10.619   9.861
 1005   1HD   PRO 125          2HD       PRO 125 -10.934  10.854   7.337
 1006   2HD   PRO 125          1HD       PRO 125 -10.697   9.767   8.721
 1007    H    TRP 126           H        TRP 126 -12.856  10.070   5.217
 1008    HA   TRP 126           HA       TRP 126 -15.345  10.424   3.926
 1009   1HB   TRP 126          2HB       TRP 126 -13.439  11.568   3.061
 1010   2HB   TRP 126          1HB       TRP 126 -12.541  10.068   2.872
 1011    HD1  TRP 126           HD       TRP 126 -13.133   8.541   0.748
 1012    HE1  TRP 126           1HE      TRP 126 -14.278   9.090  -1.487
 1013    HE3  TRP 126           3HE      TRP 126 -15.267  13.015   2.007
 1014    HZ2  TRP 126           2HZ      TRP 126 -15.869  11.140  -2.574
 1015    HZ3  TRP 126           3HZ      TRP 126 -16.586  14.208   0.306
 1016    HH2  TRP 126           HH       TRP 126 -16.881  13.290  -1.939
 1017    H    TYR 127           H        TYR 127 -13.488   7.590   4.588
 1018    HA   TYR 127           HA       TYR 127 -15.079   6.081   2.632
 1019   1HB   TYR 127          2HB       TYR 127 -12.393   5.550   3.869
 1020   2HB   TYR 127          1HB       TYR 127 -13.318   4.261   3.101
 1021    HD1  TYR 127           1HD      TYR 127 -13.841   4.393   0.680
 1022    HD2  TYR 127           2HD      TYR 127 -11.271   7.206   2.566
 1023    HE1  TYR 127           1HE      TYR 127 -13.026   5.116  -1.525
 1024    HE2  TYR 127           2HE      TYR 127 -10.449   7.939   0.364
 1025    HH   TYR 127           HH       TYR 127 -11.228   7.932  -1.989
 1026    H    SER 128           H        SER 128 -14.056   6.008   6.052
 1027    HA   SER 128           HA       SER 128 -16.139   3.971   6.484
 1028   1HB   SER 128          2HB       SER 128 -13.869   4.577   8.375
 1029   2HB   SER 128          1HB       SER 128 -14.938   3.175   8.379
 1030    HG   SER 128           HG       SER 128 -13.203   3.793   6.226
 1031    H    GLY 129           H        GLY 129 -14.617   6.702   8.264
 1032   1HA   GLY 129          2HA       GLY 129 -16.852   8.205   8.691
 1033   2HA   GLY 129          1HA       GLY 129 -16.956   6.964   9.925
 1034    H    ASN 130           H        ASN 130 -14.292   6.720  10.720
 1035    HA   ASN 130           HA       ASN 130 -13.890   9.376  11.909
 1036   1HB   ASN 130          2HB       ASN 130 -14.170   8.017  13.727
 1037   2HB   ASN 130          1HB       ASN 130 -13.550   6.594  12.897
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.269   6.465  12.569
 1039   2HD2  ASN 130          2HD2      ASN 130 -10.194   7.186  13.706
 1040    H    PHE 131           H        PHE 131 -11.532   9.830  12.531
 1041    HA   PHE 131           HA       PHE 131  -9.940   9.528  10.116
 1042   1HB   PHE 131          2HB       PHE 131  -8.413  11.102  11.691
 1043   2HB   PHE 131          1HB       PHE 131  -9.706  11.712  10.664
 1044    HD1  PHE 131           1HD      PHE 131  -8.752  10.856  14.108
 1045    HD2  PHE 131           2HD      PHE 131 -11.718  12.587  11.596
 1046    HE1  PHE 131           1HE      PHE 131  -9.875  11.795  16.086
 1047    HE2  PHE 131           2HE      PHE 131 -12.845  13.531  13.569
 1048    HZ   PHE 131           HZ       PHE 131 -11.923  13.135  15.818
 1049    H    ASP 132           H        ASP 132  -9.456   9.027  13.606
 1050    HA   ASP 132           HA       ASP 132  -6.883   8.050  13.607
 1051   1HB   ASP 132          2HB       ASP 132  -9.161   7.090  15.349
 1052   2HB   ASP 132          1HB       ASP 132  -7.445   6.919  15.704
 1053    H    GLU 133           H        GLU 133  -9.699   6.528  12.366
 1054    HA   GLU 133           HA       GLU 133  -9.068   3.842  12.601
 1055   1HB   GLU 133          2HB       GLU 133 -10.806   3.444  11.173
 1056   2HB   GLU 133          1HB       GLU 133 -11.182   5.092  11.649
 1057   1HG   GLU 133          2HG       GLU 133  -9.805   5.738   9.555
 1058   2HG   GLU 133          1HG       GLU 133 -10.095   4.070   9.070
 1059    H    THR 134           H        THR 134  -7.913   6.267  10.352
 1060    HA   THR 134           HA       THR 134  -6.735   4.616   8.435
 1061    HB   THR 134           HB       THR 134  -5.471   7.204   9.283
 1062    HG1  THR 134           1HG      THR 134  -7.513   7.900   9.083
 1063   1HG2  THR 134          1HG2      THR 134  -5.975   6.511   6.459
 1064   2HG2  THR 134          2HG2      THR 134  -4.821   5.482   7.307
 1065   3HG2  THR 134          3HG2      THR 134  -4.549   7.221   7.216
 1066    H    TYR 135           H        TYR 135  -5.502   5.791  11.531
 1067    HA   TYR 135           HA       TYR 135  -2.882   4.748  11.209
 1068   1HB   TYR 135          2HB       TYR 135  -3.312   6.489  12.847
 1069   2HB   TYR 135          1HB       TYR 135  -4.432   5.440  13.711
 1070    HD1  TYR 135           1HD      TYR 135  -0.862   5.857  12.786
 1071    HD2  TYR 135           2HD      TYR 135  -3.658   3.945  15.362
 1072    HE1  TYR 135           1HE      TYR 135   0.990   5.030  14.174
 1073    HE2  TYR 135           2HE      TYR 135  -1.811   3.114  16.758
 1074    HH   TYR 135           HH       TYR 135   0.673   2.604  16.411
 1075    H    LYS 136           H        LYS 136  -5.849   3.503  12.671
 1076    HA   LYS 136           HA       LYS 136  -4.813   1.188  13.834
 1077   1HB   LYS 136          2HB       LYS 136  -7.085   1.954  14.261
 1078   2HB   LYS 136          1HB       LYS 136  -7.528   1.652  12.587
 1079   1HG   LYS 136          2HG       LYS 136  -6.896  -0.782  13.050
 1080   2HG   LYS 136          1HG       LYS 136  -6.942  -0.330  14.755
 1081   1HD   LYS 136          2HD       LYS 136  -9.283   0.689  14.040
 1082   2HD   LYS 136          1HD       LYS 136  -9.155  -0.541  12.780
 1083   1HE   LYS 136          2HE       LYS 136 -10.282  -1.631  14.502
 1084   2HE   LYS 136          1HE       LYS 136  -8.610  -2.160  14.695
 1085   1HZ   LYS 136          1HZ       LYS 136  -8.658  -1.387  16.754
 1086   2HZ   LYS 136          2HZ       LYS 136 -10.244  -0.835  16.552
 1087   3HZ   LYS 136          3HZ       LYS 136  -8.942   0.179  16.180
 1088    H    ILE 137           H        ILE 137  -6.363   1.511  10.641
 1089    HA   ILE 137           HA       ILE 137  -5.789  -1.115   9.794
 1090    HB   ILE 137           HB       ILE 137  -6.046   1.090   7.800
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.645   1.504   9.748
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.366   1.379   8.149
 1093   1HG2  ILE 137          1HG2      ILE 137  -6.538  -1.794   7.959
 1094   2HG2  ILE 137          2HG2      ILE 137  -6.102  -0.787   6.579
 1095   3HG2  ILE 137          3HG2      ILE 137  -7.782  -0.877   7.108
 1096   1HD1  ILE 137          1HD1      ILE 137  -8.521  -0.496  10.454
 1097   2HD1  ILE 137          2HD1      ILE 137  -8.700  -1.118   8.814
 1098   3HD1  ILE 137          3HD1      ILE 137  -9.802   0.123   9.411
 1099    H    LEU 138           H        LEU 138  -4.169   1.973   9.041
 1100    HA   LEU 138           HA       LEU 138  -2.228   0.970   7.327
 1101   1HB   LEU 138          2HB       LEU 138  -2.711   3.423   8.741
 1102   2HB   LEU 138          1HB       LEU 138  -1.003   3.035   8.788
 1103    HG   LEU 138           HG       LEU 138  -1.440   4.462   6.902
 1104   1HD1  LEU 138          1HD1      LEU 138   0.183   3.291   5.947
 1105   2HD1  LEU 138          2HD1      LEU 138  -1.068   2.371   5.112
 1106   3HD1  LEU 138          3HD1      LEU 138  -0.412   1.781   6.638
 1107   1HD2  LEU 138          1HD2      LEU 138  -3.024   2.647   5.302
 1108   2HD2  LEU 138          2HD2      LEU 138  -3.270   4.360   5.643
 1109   3HD2  LEU 138          3HD2      LEU 138  -3.875   3.142   6.766
 1110    H    SER 139           H        SER 139  -1.937   1.541  10.832
 1111    HA   SER 139           HA       SER 139   0.663   0.678  11.167
 1112   1HB   SER 139          2HB       SER 139  -1.070   1.699  12.862
 1113   2HB   SER 139          1HB       SER 139  -1.376   0.005  13.253
 1114    HG   SER 139           HG       SER 139   0.245   0.608  14.589
 1115    H    LEU 140           H        LEU 140  -2.287  -1.298  11.597
 1116    HA   LEU 140           HA       LEU 140  -0.902  -3.719  12.021
 1117   1HB   LEU 140          2HB       LEU 140  -3.504  -2.905  12.192
 1118   2HB   LEU 140          1HB       LEU 140  -3.552  -3.950  10.786
 1119    HG   LEU 140           HG       LEU 140  -2.534  -5.765  12.155
 1120   1HD1  LEU 140          1HD1      LEU 140  -2.723  -5.442  14.657
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.840  -3.713  14.329
 1122   3HD1  LEU 140          3HD1      LEU 140  -1.392  -4.604  13.859
 1123   1HD2  LEU 140          1HD2      LEU 140  -4.552  -6.414  13.161
 1124   2HD2  LEU 140          2HD2      LEU 140  -5.029  -5.385  11.811
 1125   3HD2  LEU 140          3HD2      LEU 140  -5.041  -4.746  13.455
 1126    H    ALA 141           H        ALA 141  -2.649  -2.618   9.114
 1127    HA   ALA 141           HA       ALA 141  -2.042  -4.724   7.442
 1128   1HB   ALA 141          1HB       ALA 141  -3.668  -3.054   6.837
 1129   2HB   ALA 141          2HB       ALA 141  -2.443  -3.167   5.574
 1130   3HB   ALA 141          3HB       ALA 141  -2.411  -1.824   6.716
 1131    H    CYS 142           H        CYS 142  -0.173  -1.704   7.827
 1132    HA   CYS 142           HA       CYS 142   1.799  -2.283   5.932
 1133   1HB   CYS 142          2HB       CYS 142   1.485  -0.387   8.148
 1134   2HB   CYS 142          1HB       CYS 142   3.159  -0.809   7.800
 1135    HG   CYS 142           HG       CYS 142   1.637   1.537   6.442
 1136    H    LYS 143           H        LYS 143   1.673  -3.014   9.410
 1137    HA   LYS 143           HA       LYS 143   4.247  -4.104   9.645
 1138   1HB   LYS 143          2HB       LYS 143   1.700  -4.465  11.190
 1139   2HB   LYS 143          1HB       LYS 143   3.114  -5.435  11.575
 1140   1HG   LYS 143          2HG       LYS 143   4.401  -3.426  12.015
 1141   2HG   LYS 143          1HG       LYS 143   3.017  -2.425  11.571
 1142   1HD   LYS 143          2HD       LYS 143   1.739  -3.305  13.427
 1143   2HD   LYS 143          1HD       LYS 143   3.044  -4.422  13.833
 1144   1HE   LYS 143          2HE       LYS 143   3.228  -1.412  13.891
 1145   2HE   LYS 143          1HE       LYS 143   3.014  -2.449  15.300
 1146   1HZ   LYS 143          1HZ       LYS 143   5.147  -3.498  14.777
 1147   2HZ   LYS 143          2HZ       LYS 143   5.319  -1.838  15.053
 1148   3HZ   LYS 143          3HZ       LYS 143   5.356  -2.440  13.473
 1149    H    ASN 144           H        ASN 144   1.152  -5.853   9.372
 1150    HA   ASN 144           HA       ASN 144   2.211  -8.398   9.015
 1151   1HB   ASN 144          2HB       ASN 144  -0.380  -7.105   8.643
 1152   2HB   ASN 144          1HB       ASN 144  -0.108  -8.413   7.495
 1153   1HD2  ASN 144          1HD2      ASN 144  -0.777  -7.566  10.736
 1154   2HD2  ASN 144          2HD2      ASN 144  -0.895  -9.169  11.371
 1155    H    LEU 145           H        LEU 145   1.641  -5.820   6.701
 1156    HA   LEU 145           HA       LEU 145   2.041  -7.297   4.341
 1157   1HB   LEU 145          2HB       LEU 145   1.366  -4.719   4.905
 1158   2HB   LEU 145          1HB       LEU 145   3.012  -4.516   4.339
 1159    HG   LEU 145           HG       LEU 145   0.705  -5.720   2.811
 1160   1HD1  LEU 145          1HD1      LEU 145   0.867  -3.835   1.403
 1161   2HD1  LEU 145          2HD1      LEU 145   2.396  -3.333   2.125
 1162   3HD1  LEU 145          3HD1      LEU 145   0.901  -3.211   3.053
 1163   1HD2  LEU 145          1HD2      LEU 145   2.136  -6.283   1.064
 1164   2HD2  LEU 145          2HD2      LEU 145   3.018  -6.813   2.497
 1165   3HD2  LEU 145          3HD2      LEU 145   3.456  -5.303   1.699
 1166    H    LEU 146           H        LEU 146   4.284  -5.445   6.373
 1167    HA   LEU 146           HA       LEU 146   6.587  -5.746   4.848
 1168   1HB   LEU 146          2HB       LEU 146   6.100  -5.425   7.788
 1169   2HB   LEU 146          1HB       LEU 146   7.729  -5.669   7.187
 1170    HG   LEU 146           HG       LEU 146   5.973  -3.454   6.157
 1171   1HD1  LEU 146          1HD1      LEU 146   6.412  -2.121   7.903
 1172   2HD1  LEU 146          2HD1      LEU 146   8.048  -2.751   8.102
 1173   3HD1  LEU 146          3HD1      LEU 146   6.676  -3.630   8.776
 1174   1HD2  LEU 146          1HD2      LEU 146   7.691  -3.302   4.740
 1175   2HD2  LEU 146          2HD2      LEU 146   8.694  -4.387   5.702
 1176   3HD2  LEU 146          3HD2      LEU 146   8.609  -2.672   6.107
 1177    H    VAL 147           H        VAL 147   5.199  -7.876   7.308
 1178    HA   VAL 147           HA       VAL 147   7.262  -9.767   7.410
 1179    HB   VAL 147           HB       VAL 147   4.332 -10.382   7.775
 1180   1HG1  VAL 147          1HG1      VAL 147   5.698 -11.764   9.672
 1181   2HG1  VAL 147          2HG1      VAL 147   6.856 -11.770   8.341
 1182   3HG1  VAL 147          3HG1      VAL 147   5.233 -12.416   8.100
 1183   1HG2  VAL 147          1HG2      VAL 147   4.434  -8.664   9.251
 1184   2HG2  VAL 147          2HG2      VAL 147   6.187  -8.760   9.413
 1185   3HG2  VAL 147          3HG2      VAL 147   5.159  -9.905  10.274
 1186    H    PHE 148           H        PHE 148   4.183  -9.973   5.615
 1187    HA   PHE 148           HA       PHE 148   4.836 -12.336   4.233
 1188   1HB   PHE 148          2HB       PHE 148   2.559 -10.991   4.569
 1189   2HB   PHE 148          1HB       PHE 148   2.984 -10.371   2.977
 1190    HD1  PHE 148           1HD      PHE 148   2.770 -11.712   1.040
 1191    HD2  PHE 148           2HD      PHE 148   2.217 -13.422   4.897
 1192    HE1  PHE 148           1HE      PHE 148   1.841 -13.740   0.002
 1193    HE2  PHE 148           2HE      PHE 148   1.288 -15.454   3.867
 1194    HZ   PHE 148           HZ       PHE 148   1.099 -15.615   1.417
 1195    H    LEU 149           H        LEU 149   4.793  -8.974   3.058
 1196    HA   LEU 149           HA       LEU 149   5.737  -9.398   0.509
 1197   1HB   LEU 149          2HB       LEU 149   5.392  -7.196   0.472
 1198   2HB   LEU 149          1HB       LEU 149   5.292  -7.178   2.220
 1199    HG   LEU 149           HG       LEU 149   7.893  -7.058   2.121
 1200   1HD1  LEU 149          1HD1      LEU 149   7.375  -7.197  -0.589
 1201   2HD1  LEU 149          2HD1      LEU 149   8.889  -6.694   0.164
 1202   3HD1  LEU 149          3HD1      LEU 149   7.694  -5.485  -0.307
 1203   1HD2  LEU 149          1HD2      LEU 149   7.776  -4.705   2.272
 1204   2HD2  LEU 149          2HD2      LEU 149   6.230  -5.307   2.871
 1205   3HD2  LEU 149          3HD2      LEU 149   6.345  -4.635   1.244
 1206    H    SER 150           H        SER 150   7.680  -8.799   3.448
 1207    HA   SER 150           HA       SER 150   9.758 -10.516   2.720
 1208   1HB   SER 150          2HB       SER 150  10.084  -8.750   0.935
 1209   2HB   SER 150          1HB       SER 150  10.523  -7.633   2.228
 1210    HG   SER 150           HG       SER 150  12.443  -8.447   2.018
 1211    H    LYS 151           H        LYS 151   9.617 -11.027   4.906
 1212    HA   LYS 151           HA       LYS 151  11.415  -9.793   6.633
 1213   1HB   LYS 151          2HB       LYS 151   9.540  -8.036   6.570
 1214   2HB   LYS 151          1HB       LYS 151   8.600  -9.186   7.509
 1215   1HG   LYS 151          2HG       LYS 151  10.259  -9.140   9.275
 1216   2HG   LYS 151          1HG       LYS 151  11.266  -8.046   8.324
 1217   1HD   LYS 151          2HD       LYS 151   9.910  -6.248   8.704
 1218   2HD   LYS 151          1HD       LYS 151   8.456  -7.238   8.845
 1219   1HE   LYS 151          2HE       LYS 151   8.904  -7.802  11.057
 1220   2HE   LYS 151          1HE       LYS 151  10.612  -7.390  10.916
 1221   1HZ   LYS 151          1HZ       LYS 151   8.399  -5.731  11.638
 1222   2HZ   LYS 151          2HZ       LYS 151   9.314  -5.050  10.390
 1223   3HZ   LYS 151          3HZ       LYS 151  10.056  -5.467  11.850
 1224    H    HIS 152           H        HIS 152   8.869 -11.958   5.971
 1225    HA   HIS 152           HA       HIS 152   8.503 -13.210   8.435
 1226   1HB   HIS 152          2HB       HIS 152   7.977 -15.277   6.951
 1227   2HB   HIS 152          1HB       HIS 152   6.949 -13.856   6.842
 1228    HD1  HIS 152           1HD      HIS 152   6.444 -15.224   4.487
 1229    HD2  HIS 152           2HD      HIS 152  10.035 -13.153   4.781
 1230    HE1  HIS 152           1HE      HIS 152   7.247 -14.932   2.124
 1231    HE2  HIS 152           2HE      HIS 152   9.386 -13.615   2.321
 1232    H    HIS 153           H        HIS 153  10.028 -15.202   5.976
 1233    HA   HIS 153           HA       HIS 153  11.807 -16.606   6.041
 1234   1HB   HIS 153          2HB       HIS 153  12.771 -14.155   7.408
 1235   2HB   HIS 153          1HB       HIS 153  13.749 -15.605   7.608
 1236    HD1  HIS 153           1HD      HIS 153  13.686 -12.767   5.594
 1237    HD2  HIS 153           2HD      HIS 153  14.045 -16.821   4.755
 1238    HE1  HIS 153           1HE      HIS 153  14.747 -12.890   3.317
 1239    HE2  HIS 153           2HE      HIS 153  15.042 -15.353   2.873
 1240    H    HIS 154           H        HIS 154   9.701 -17.118   7.866
 1241    HA   HIS 154           HA       HIS 154  11.144 -18.779   9.760
 1242   1HB   HIS 154          2HB       HIS 154  10.624 -16.533  10.870
 1243   2HB   HIS 154          1HB       HIS 154   8.931 -17.008  10.790
 1244    HD1  HIS 154           1HD      HIS 154   8.838 -17.020  13.397
 1245    HD2  HIS 154           2HD      HIS 154  11.477 -19.776  11.750
 1246    HE1  HIS 154           1HE      HIS 154   9.414 -18.601  15.267
 1247    HE2  HIS 154           2HE      HIS 154  11.035 -20.243  14.256
 1248    H    HIS 155           H        HIS 155   8.551 -18.159   7.708
 1249    HA   HIS 155           HA       HIS 155   6.532 -19.803   8.749
 1250   1HB   HIS 155          2HB       HIS 155   6.930 -18.278   6.421
 1251   2HB   HIS 155          1HB       HIS 155   6.599 -19.915   5.865
 1252    HD1  HIS 155           1HD      HIS 155   4.989 -16.934   7.301
 1253    HD2  HIS 155           2HD      HIS 155   4.032 -20.929   6.676
 1254    HE1  HIS 155           1HE      HIS 155   2.494 -17.079   7.581
 1255    HE2  HIS 155           2HE      HIS 155   1.933 -19.501   7.174
 1256    H    HIS 156           H        HIS 156   6.572 -21.901   9.149
 1257    HA   HIS 156           HA       HIS 156   7.031 -24.122   9.044
 1258   1HB   HIS 156          2HB       HIS 156   6.608 -23.293   6.377
 1259   2HB   HIS 156          1HB       HIS 156   8.001 -24.370   6.346
 1260    HD1  HIS 156           1HD      HIS 156   5.242 -25.115   5.098
 1261    HD2  HIS 156           2HD      HIS 156   6.531 -26.248   8.883
 1262    HE1  HIS 156           1HE      HIS 156   3.922 -27.177   5.669
 1263    HE2  HIS 156           2HE      HIS 156   4.655 -27.793   7.999
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  16.216  -8.876  -7.373
    2   2H    MET   1          2HT       MET   1  17.498  -8.049  -8.104
    3   3H    MET   1          3HT       MET   1  16.522  -9.080  -9.024
    4    HA   MET   1           HA       MET   1  15.989  -6.379  -8.049
    5   1HB   MET   1          2HB       MET   1  14.954  -7.729 -10.527
    6   2HB   MET   1          1HB       MET   1  15.277  -6.022 -10.259
    7   1HG   MET   1          2HG       MET   1  17.362  -6.209 -10.988
    8   2HG   MET   1          1HG       MET   1  17.670  -7.614  -9.968
    9   1HE   MET   1          1HE       MET   1  15.108  -6.845 -12.641
   10   2HE   MET   1          2HE       MET   1  15.425  -7.986 -13.946
   11   3HE   MET   1          3HE       MET   1  16.448  -6.562 -13.753
   12    H    LYS   2           H        LYS   2  14.569  -6.632  -6.330
   13    HA   LYS   2           HA       LYS   2  12.065  -8.073  -6.857
   14   1HB   LYS   2          2HB       LYS   2  13.512  -7.270  -4.362
   15   2HB   LYS   2          1HB       LYS   2  11.773  -7.516  -4.303
   16   1HG   LYS   2          2HG       LYS   2  12.585  -9.583  -3.698
   17   2HG   LYS   2          1HG       LYS   2  12.301  -9.788  -5.427
   18   1HD   LYS   2          2HD       LYS   2  14.636  -9.460  -5.904
   19   2HD   LYS   2          1HD       LYS   2  14.964  -9.051  -4.219
   20   1HE   LYS   2          2HE       LYS   2  13.746 -11.692  -4.906
   21   2HE   LYS   2          1HE       LYS   2  15.481 -11.447  -5.099
   22   1HZ   LYS   2          1HZ       LYS   2  13.881 -11.303  -2.615
   23   2HZ   LYS   2          2HZ       LYS   2  15.433 -10.640  -2.715
   24   3HZ   LYS   2          3HZ       LYS   2  15.208 -12.299  -2.954
   25    H    LYS   3           H        LYS   3  10.306  -6.954  -7.384
   26    HA   LYS   3           HA       LYS   3  10.157  -4.124  -6.576
   27   1HB   LYS   3          2HB       LYS   3   9.813  -5.382  -9.219
   28   2HB   LYS   3          1HB       LYS   3   8.576  -4.212  -8.787
   29   1HG   LYS   3          2HG       LYS   3  11.207  -3.200  -8.183
   30   2HG   LYS   3          1HG       LYS   3  11.076  -3.684  -9.875
   31   1HD   LYS   3          2HD       LYS   3   8.699  -2.292  -9.111
   32   2HD   LYS   3          1HD       LYS   3  10.104  -1.329  -8.650
   33   1HE   LYS   3          2HE       LYS   3  10.967  -1.452 -10.910
   34   2HE   LYS   3          1HE       LYS   3   9.636  -2.504 -11.387
   35   1HZ   LYS   3          1HZ       LYS   3   9.676   0.206 -11.593
   36   2HZ   LYS   3          2HZ       LYS   3   8.743  -0.052 -10.205
   37   3HZ   LYS   3          3HZ       LYS   3   8.295  -0.768 -11.671
   38    H    ILE   4           H        ILE   4   8.435  -3.557  -5.450
   39    HA   ILE   4           HA       ILE   4   6.142  -5.406  -5.355
   40    HB   ILE   4           HB       ILE   4   7.363  -3.637  -3.253
   41   1HG1  ILE   4          2HG1      ILE   4   6.977  -5.792  -1.922
   42   2HG1  ILE   4          1HG1      ILE   4   6.625  -6.552  -3.471
   43   1HG2  ILE   4          1HG2      ILE   4   5.322  -4.324  -1.856
   44   2HG2  ILE   4          2HG2      ILE   4   4.533  -4.610  -3.407
   45   3HG2  ILE   4          3HG2      ILE   4   5.135  -3.001  -3.008
   46   1HD1  ILE   4          1HD1      ILE   4   8.779  -6.777  -3.921
   47   2HD1  ILE   4          2HD1      ILE   4   9.109  -6.250  -2.270
   48   3HD1  ILE   4          3HD1      ILE   4   9.093  -5.076  -3.586
   49    H    LEU   5           H        LEU   5   4.197  -4.648  -5.989
   50    HA   LEU   5           HA       LEU   5   4.003  -1.764  -6.528
   51   1HB   LEU   5          2HB       LEU   5   3.505  -3.978  -8.184
   52   2HB   LEU   5          1HB       LEU   5   1.937  -3.285  -7.814
   53    HG   LEU   5           HG       LEU   5   4.251  -1.687  -8.906
   54   1HD1  LEU   5          1HD1      LEU   5   3.590  -3.381 -10.521
   55   2HD1  LEU   5          2HD1      LEU   5   3.091  -1.775 -11.054
   56   3HD1  LEU   5          3HD1      LEU   5   1.905  -2.885 -10.368
   57   1HD2  LEU   5          1HD2      LEU   5   1.649  -0.646  -9.460
   58   2HD2  LEU   5          2HD2      LEU   5   2.970   0.091  -8.556
   59   3HD2  LEU   5          3HD2      LEU   5   1.803  -0.939  -7.728
   60    H    PHE   6           H        PHE   6   2.911  -0.739  -5.004
   61    HA   PHE   6           HA       PHE   6   0.752  -2.083  -3.569
   62   1HB   PHE   6          2HB       PHE   6   2.091   0.598  -3.141
   63   2HB   PHE   6          1HB       PHE   6   0.777  -0.019  -2.149
   64    HD1  PHE   6           1HD      PHE   6   4.155   0.458  -2.193
   65    HD2  PHE   6           2HD      PHE   6   1.319  -2.602  -1.352
   66    HE1  PHE   6           1HE      PHE   6   5.789  -0.650  -0.731
   67    HE2  PHE   6           2HE      PHE   6   2.949  -3.713   0.112
   68    HZ   PHE   6           HZ       PHE   6   5.187  -2.738   0.423
   69    H    ILE   7           H        ILE   7  -1.183  -2.012  -4.566
   70    HA   ILE   7           HA       ILE   7  -1.881   0.364  -6.137
   71    HB   ILE   7           HB       ILE   7  -3.424  -2.223  -5.988
   72   1HG1  ILE   7          2HG1      ILE   7  -2.011  -1.929  -8.455
   73   2HG1  ILE   7          1HG1      ILE   7  -0.858  -1.775  -7.134
   74   1HG2  ILE   7          1HG2      ILE   7  -4.321  -1.455  -8.159
   75   2HG2  ILE   7          2HG2      ILE   7  -3.425   0.052  -7.967
   76   3HG2  ILE   7          3HG2      ILE   7  -4.708  -0.361  -6.830
   77   1HD1  ILE   7          1HD1      ILE   7  -1.041  -3.937  -6.551
   78   2HD1  ILE   7          2HD1      ILE   7  -1.588  -4.114  -8.219
   79   3HD1  ILE   7          3HD1      ILE   7  -2.766  -4.001  -6.911
   80    H    CYS   8           H        CYS   8  -3.223   1.845  -5.368
   81    HA   CYS   8           HA       CYS   8  -5.180   1.075  -3.320
   82   1HB   CYS   8          2HB       CYS   8  -3.197   2.218  -2.297
   83   2HB   CYS   8          1HB       CYS   8  -3.588   3.641  -3.258
   84    HG   CYS   8           HG       CYS   8  -6.354   3.035  -1.833
   85    H    LEU   9           H        LEU   9  -7.187   1.681  -3.780
   86    HA   LEU   9           HA       LEU   9  -7.917   2.894  -6.175
   87   1HB   LEU   9          2HB       LEU   9  -9.305   1.512  -4.460
   88   2HB   LEU   9          1HB       LEU   9  -9.646   3.066  -3.728
   89    HG   LEU   9           HG       LEU   9 -11.331   2.052  -5.418
   90   1HD1  LEU   9          1HD1      LEU   9 -10.512   4.766  -4.848
   91   2HD1  LEU   9          2HD1      LEU   9 -12.130   4.077  -4.992
   92   3HD1  LEU   9          3HD1      LEU   9 -11.275   4.628  -6.433
   93   1HD2  LEU   9          1HD2      LEU   9 -10.957   2.654  -7.736
   94   2HD2  LEU   9          2HD2      LEU   9  -9.677   1.578  -7.175
   95   3HD2  LEU   9          3HD2      LEU   9  -9.368   3.307  -7.333
   96    H    GLY  10           H        GLY  10  -6.866   4.264  -3.217
   97   1HA   GLY  10          2HA       GLY  10  -7.207   6.949  -4.352
   98   2HA   GLY  10          1HA       GLY  10  -7.802   6.640  -2.726
   99    H    ASN  11           H        ASN  11  -5.032   7.225  -4.696
  100    HA   ASN  11           HA       ASN  11  -3.099   6.584  -2.674
  101   1HB   ASN  11          2HB       ASN  11  -2.953   7.906  -5.365
  102   2HB   ASN  11          1HB       ASN  11  -1.563   7.914  -4.285
  103   1HD2  ASN  11          1HD2      ASN  11  -0.168   6.432  -4.877
  104   2HD2  ASN  11          2HD2      ASN  11  -0.542   4.830  -5.403
  105    H    ILE  12           H        ILE  12  -5.138   8.395  -1.808
  106    HA   ILE  12           HA       ILE  12  -3.455  10.706  -1.116
  107    HB   ILE  12           HB       ILE  12  -5.766  11.902  -0.877
  108   1HG1  ILE  12          2HG1      ILE  12  -6.398   9.890  -3.045
  109   2HG1  ILE  12          1HG1      ILE  12  -7.034   9.800  -1.405
  110   1HG2  ILE  12          1HG2      ILE  12  -5.078  13.093  -2.638
  111   2HG2  ILE  12          2HG2      ILE  12  -5.197  11.712  -3.729
  112   3HG2  ILE  12          3HG2      ILE  12  -3.753  11.935  -2.742
  113   1HD1  ILE  12          1HD1      ILE  12  -8.416  10.884  -3.339
  114   2HD1  ILE  12          2HD1      ILE  12  -7.437  12.300  -2.954
  115   3HD1  ILE  12          3HD1      ILE  12  -8.447  11.560  -1.712
  116    H    CYS  13           H        CYS  13  -4.764   7.988   0.052
  117    HA   CYS  13           HA       CYS  13  -5.137   9.166   2.714
  118   1HB   CYS  13          2HB       CYS  13  -7.335   8.567   1.694
  119   2HB   CYS  13          1HB       CYS  13  -6.803   6.892   1.623
  120    HG   CYS  13           HG       CYS  13  -8.164   6.547   3.813
  121    H    ARG  14           H        ARG  14  -5.315   5.792   1.601
  122    HA   ARG  14           HA       ARG  14  -3.539   4.992   3.709
  123   1HB   ARG  14          2HB       ARG  14  -4.768   3.145   3.512
  124   2HB   ARG  14          1HB       ARG  14  -5.480   3.735   2.020
  125   1HG   ARG  14          2HG       ARG  14  -4.569   1.781   1.290
  126   2HG   ARG  14          1HG       ARG  14  -3.219   2.873   0.984
  127   1HD   ARG  14          2HD       ARG  14  -2.232   2.226   3.142
  128   2HD   ARG  14          1HD       ARG  14  -3.569   1.106   3.405
  129    HE   ARG  14           HE       ARG  14  -2.047   0.717   0.967
  130   1HH1  ARG  14          1HH1      ARG  14  -2.534  -0.191   4.295
  131   2HH1  ARG  14          2HH1      ARG  14  -1.734  -1.718   4.130
  132   1HH2  ARG  14          1HH2      ARG  14  -0.994  -1.292   0.740
  133   2HH2  ARG  14          2HH2      ARG  14  -0.857  -2.343   2.110
  134    H    SER  15           H        SER  15  -3.358   5.028   0.163
  135    HA   SER  15           HA       SER  15  -0.888   3.802  -0.134
  136   1HB   SER  15          2HB       SER  15  -1.743   4.044  -2.203
  137   2HB   SER  15          1HB       SER  15  -2.599   5.528  -1.782
  138    HG   SER  15           HG       SER  15  -0.048   5.174  -2.822
  139    HA   PRO  16           HA       PRO  16   1.227   8.174   0.063
  140   1HB   PRO  16          2HB       PRO  16  -0.090  10.117   1.420
  141   2HB   PRO  16          1HB       PRO  16  -0.259   9.876  -0.323
  142   1HG   PRO  16          2HG       PRO  16  -2.043   8.938   1.897
  143   2HG   PRO  16          1HG       PRO  16  -2.483   9.713   0.362
  144   1HD   PRO  16          2HD       PRO  16  -2.666   7.055   0.703
  145   2HD   PRO  16          1HD       PRO  16  -2.184   7.764  -0.853
  146    H    MET  17           H        MET  17  -0.913   7.576   2.858
  147    HA   MET  17           HA       MET  17   0.831   8.414   4.858
  148   1HB   MET  17          2HB       MET  17  -1.682   7.214   4.749
  149   2HB   MET  17          1HB       MET  17  -0.696   6.069   5.646
  150   1HG   MET  17          2HG       MET  17  -0.937   8.989   6.322
  151   2HG   MET  17          1HG       MET  17  -1.902   7.711   7.057
  152   1HE   MET  17          1HE       MET  17  -1.591   7.450   9.165
  153   2HE   MET  17          2HE       MET  17  -0.113   7.314  10.118
  154   3HE   MET  17          3HE       MET  17  -0.656   5.956   9.133
  155    H    ALA  18           H        ALA  18   0.349   5.127   3.577
  156    HA   ALA  18           HA       ALA  18   2.541   4.041   5.061
  157   1HB   ALA  18          1HB       ALA  18   1.772   2.054   4.390
  158   2HB   ALA  18          2HB       ALA  18   1.703   2.541   2.697
  159   3HB   ALA  18          3HB       ALA  18   0.383   2.958   3.789
  160    H    GLU  19           H        GLU  19   2.241   5.759   2.106
  161    HA   GLU  19           HA       GLU  19   4.445   4.721   0.693
  162   1HB   GLU  19          2HB       GLU  19   2.735   6.208  -0.311
  163   2HB   GLU  19          1HB       GLU  19   3.366   7.546   0.637
  164   1HG   GLU  19          2HG       GLU  19   5.381   7.588  -0.567
  165   2HG   GLU  19          1HG       GLU  19   5.080   6.006  -1.281
  166    H    PHE  20           H        PHE  20   4.187   7.524   2.871
  167    HA   PHE  20           HA       PHE  20   6.998   8.040   2.809
  168   1HB   PHE  20          2HB       PHE  20   5.644   9.930   3.219
  169   2HB   PHE  20          1HB       PHE  20   4.723   9.114   4.482
  170    HD1  PHE  20           1HD      PHE  20   5.395   9.232   6.728
  171    HD2  PHE  20           2HD      PHE  20   8.040  10.537   3.660
  172    HE1  PHE  20           1HE      PHE  20   6.882  10.206   8.430
  173    HE2  PHE  20           2HE      PHE  20   9.533  11.511   5.356
  174    HZ   PHE  20           HZ       PHE  20   8.954  11.345   7.744
  175    H    ILE  21           H        ILE  21   4.799   6.476   5.131
  176    HA   ILE  21           HA       ILE  21   6.661   6.039   7.173
  177    HB   ILE  21           HB       ILE  21   4.279   4.357   6.396
  178   1HG1  ILE  21          2HG1      ILE  21   4.655   6.547   8.450
  179   2HG1  ILE  21          1HG1      ILE  21   3.678   6.637   6.988
  180   1HG2  ILE  21          1HG2      ILE  21   4.983   4.189   9.170
  181   2HG2  ILE  21          2HG2      ILE  21   6.360   3.722   8.173
  182   3HG2  ILE  21          3HG2      ILE  21   4.814   2.896   7.982
  183   1HD1  ILE  21          1HD1      ILE  21   2.083   6.258   8.582
  184   2HD1  ILE  21          2HD1      ILE  21   3.135   5.224   9.549
  185   3HD1  ILE  21          3HD1      ILE  21   2.427   4.611   8.054
  186    H    MET  22           H        MET  22   5.631   3.776   4.613
  187    HA   MET  22           HA       MET  22   7.454   1.749   5.208
  188   1HB   MET  22          2HB       MET  22   5.855   2.498   2.816
  189   2HB   MET  22          1HB       MET  22   7.181   1.368   2.577
  190   1HG   MET  22          2HG       MET  22   5.969   0.327   4.772
  191   2HG   MET  22          1HG       MET  22   4.596   0.990   3.889
  192   1HE   MET  22          1HE       MET  22   7.169  -2.582   3.019
  193   2HE   MET  22          2HE       MET  22   7.513  -1.224   4.090
  194   3HE   MET  22          3HE       MET  22   7.963  -1.139   2.387
  195    H    LYS  23           H        LYS  23   7.740   4.544   3.057
  196    HA   LYS  23           HA       LYS  23  10.163   4.015   1.848
  197   1HB   LYS  23          2HB       LYS  23   8.556   6.378   2.405
  198   2HB   LYS  23          1HB       LYS  23  10.276   6.737   2.412
  199   1HG   LYS  23          2HG       LYS  23   9.432   5.077   0.164
  200   2HG   LYS  23          1HG       LYS  23   8.684   6.676   0.204
  201   1HD   LYS  23          2HD       LYS  23  11.106   7.508   0.647
  202   2HD   LYS  23          1HD       LYS  23  11.577   5.940  -0.011
  203   1HE   LYS  23          2HE       LYS  23  10.022   6.533  -1.972
  204   2HE   LYS  23          1HE       LYS  23  10.104   8.182  -1.353
  205   1HZ   LYS  23          1HZ       LYS  23  12.692   7.017  -1.539
  206   2HZ   LYS  23          2HZ       LYS  23  12.108   8.444  -2.234
  207   3HZ   LYS  23          3HZ       LYS  23  11.902   6.968  -3.035
  208    H    ASP  24           H        ASP  24   9.516   5.265   5.076
  209    HA   ASP  24           HA       ASP  24  12.234   5.844   5.708
  210   1HB   ASP  24          2HB       ASP  24   9.857   5.350   7.513
  211   2HB   ASP  24          1HB       ASP  24  11.418   5.960   8.054
  212    H    LEU  25           H        LEU  25  10.089   3.123   6.504
  213    HA   LEU  25           HA       LEU  25  12.022   1.640   7.937
  214   1HB   LEU  25          2HB       LEU  25   9.371   1.046   6.710
  215   2HB   LEU  25          1HB       LEU  25  10.380  -0.297   7.216
  216    HG   LEU  25           HG       LEU  25   9.870   1.903   9.163
  217   1HD1  LEU  25          1HD1      LEU  25   7.891  -0.258   8.457
  218   2HD1  LEU  25          2HD1      LEU  25   7.659   1.485   8.303
  219   3HD1  LEU  25          3HD1      LEU  25   7.813   0.751   9.900
  220   1HD2  LEU  25          1HD2      LEU  25  11.161  -0.563   9.207
  221   2HD2  LEU  25          2HD2      LEU  25   9.650  -0.826  10.078
  222   3HD2  LEU  25          3HD2      LEU  25  10.754   0.450  10.593
  223    H    VAL  26           H        VAL  26  11.478   2.073   4.568
  224    HA   VAL  26           HA       VAL  26  12.414  -0.309   3.496
  225    HB   VAL  26           HB       VAL  26  12.416   2.515   2.499
  226   1HG1  VAL  26          1HG1      VAL  26  14.408   1.816   1.487
  227   2HG1  VAL  26          2HG1      VAL  26  13.170   1.518   0.268
  228   3HG1  VAL  26          3HG1      VAL  26  13.805   0.181   1.224
  229   1HG2  VAL  26          1HG2      VAL  26  11.014   1.326   0.706
  230   2HG2  VAL  26          2HG2      VAL  26  10.316   1.517   2.316
  231   3HG2  VAL  26          3HG2      VAL  26  10.993  -0.037   1.826
  232    H    LYS  27           H        LYS  27  14.312   2.647   4.130
  233    HA   LYS  27           HA       LYS  27  16.793   1.707   3.378
  234   1HB   LYS  27          2HB       LYS  27  15.758   3.914   4.929
  235   2HB   LYS  27          1HB       LYS  27  17.270   3.331   5.610
  236   1HG   LYS  27          2HG       LYS  27  18.477   4.177   3.938
  237   2HG   LYS  27          1HG       LYS  27  17.348   3.599   2.711
  238   1HD   LYS  27          2HD       LYS  27  16.627   5.932   4.441
  239   2HD   LYS  27          1HD       LYS  27  17.682   6.156   3.045
  240   1HE   LYS  27          2HE       LYS  27  15.860   4.899   1.735
  241   2HE   LYS  27          1HE       LYS  27  14.828   5.239   3.123
  242   1HZ   LYS  27          1HZ       LYS  27  15.895   7.058   1.111
  243   2HZ   LYS  27          2HZ       LYS  27  15.792   7.653   2.689
  244   3HZ   LYS  27          3HZ       LYS  27  14.404   7.082   1.910
  245    H    LYS  28           H        LYS  28  14.998   0.988   6.280
  246    HA   LYS  28           HA       LYS  28  17.157   0.094   7.863
  247   1HB   LYS  28          2HB       LYS  28  15.035   0.667   8.862
  248   2HB   LYS  28          1HB       LYS  28  14.225  -0.610   7.966
  249   1HG   LYS  28          2HG       LYS  28  16.337  -1.817   9.393
  250   2HG   LYS  28          1HG       LYS  28  15.500  -0.736  10.508
  251   1HD   LYS  28          2HD       LYS  28  13.596  -1.963  10.478
  252   2HD   LYS  28          1HD       LYS  28  13.783  -2.404   8.779
  253   1HE   LYS  28          2HE       LYS  28  14.009  -4.248  10.566
  254   2HE   LYS  28          1HE       LYS  28  15.200  -4.181   9.266
  255   1HZ   LYS  28          1HZ       LYS  28  15.590  -3.012  11.968
  256   2HZ   LYS  28          2HZ       LYS  28  16.741  -3.098  10.732
  257   3HZ   LYS  28          3HZ       LYS  28  16.193  -4.516  11.475
  258    H    ALA  29           H        ALA  29  14.769  -1.838   5.997
  259    HA   ALA  29           HA       ALA  29  16.801  -3.967   5.876
  260   1HB   ALA  29          1HB       ALA  29  15.549  -5.376   7.029
  261   2HB   ALA  29          2HB       ALA  29  14.187  -5.119   5.940
  262   3HB   ALA  29          3HB       ALA  29  14.410  -4.065   7.336
  263    H    ASN  30           H        ASN  30  15.914  -1.974   3.825
  264    HA   ASN  30           HA       ASN  30  15.230  -3.949   1.765
  265   1HB   ASN  30          2HB       ASN  30  13.829  -1.354   2.316
  266   2HB   ASN  30          1HB       ASN  30  13.873  -2.007   0.681
  267   1HD2  ASN  30          1HD2      ASN  30  13.164  -3.011   4.007
  268   2HD2  ASN  30          2HD2      ASN  30  11.817  -4.013   3.599
  269    H    LEU  31           H        LEU  31  16.158  -0.520   2.163
  270    HA   LEU  31           HA       LEU  31  17.389  -0.259  -0.339
  271   1HB   LEU  31          2HB       LEU  31  16.731   1.573   1.300
  272   2HB   LEU  31          1HB       LEU  31  18.221   1.221   2.151
  273    HG   LEU  31           HG       LEU  31  18.079   3.174   0.391
  274   1HD1  LEU  31          1HD1      LEU  31  20.167   3.196   1.135
  275   2HD1  LEU  31          2HD1      LEU  31  20.575   2.160  -0.233
  276   3HD1  LEU  31          3HD1      LEU  31  20.194   1.444   1.333
  277   1HD2  LEU  31          1HD2      LEU  31  17.298   1.684  -1.436
  278   2HD2  LEU  31          2HD2      LEU  31  18.854   0.857  -1.376
  279   3HD2  LEU  31          3HD2      LEU  31  18.778   2.561  -1.823
  280    H    GLU  32           H        GLU  32  18.415  -1.864   2.500
  281    HA   GLU  32           HA       GLU  32  21.229  -1.751   2.034
  282   1HB   GLU  32          2HB       GLU  32  19.741  -3.861   3.596
  283   2HB   GLU  32          1HB       GLU  32  21.419  -3.369   3.787
  284   1HG   GLU  32          2HG       GLU  32  19.516  -1.185   4.138
  285   2HG   GLU  32          1HG       GLU  32  19.313  -2.499   5.297
  286    H    LYS  33           H        LYS  33  18.669  -4.078   1.295
  287    HA   LYS  33           HA       LYS  33  20.571  -5.712  -0.216
  288   1HB   LYS  33          2HB       LYS  33  18.229  -6.282   1.324
  289   2HB   LYS  33          1HB       LYS  33  17.952  -6.805  -0.332
  290   1HG   LYS  33          2HG       LYS  33  20.381  -7.570   1.268
  291   2HG   LYS  33          1HG       LYS  33  18.910  -8.542   1.187
  292   1HD   LYS  33          2HD       LYS  33  19.464  -9.368  -0.811
  293   2HD   LYS  33          1HD       LYS  33  19.838  -7.765  -1.447
  294   1HE   LYS  33          2HE       LYS  33  21.695  -9.328   0.336
  295   2HE   LYS  33          1HE       LYS  33  21.757  -9.390  -1.425
  296   1HZ   LYS  33          1HZ       LYS  33  21.729  -6.702  -0.600
  297   2HZ   LYS  33          2HZ       LYS  33  22.945  -7.538  -1.427
  298   3HZ   LYS  33          3HZ       LYS  33  22.935  -7.514   0.264
  299    H    GLU  34           H        GLU  34  19.161  -3.031  -0.904
  300    HA   GLU  34           HA       GLU  34  18.429  -1.972  -2.771
  301   1HB   GLU  34          2HB       GLU  34  19.278  -4.464  -4.249
  302   2HB   GLU  34          1HB       GLU  34  19.073  -2.853  -4.924
  303   1HG   GLU  34          2HG       GLU  34  21.033  -2.078  -4.032
  304   2HG   GLU  34          1HG       GLU  34  21.018  -3.242  -2.708
  305    H    PHE  35           H        PHE  35  16.304  -2.558  -1.598
  306    HA   PHE  35           HA       PHE  35  14.632  -4.293  -3.278
  307   1HB   PHE  35          2HB       PHE  35  14.589  -3.504  -0.436
  308   2HB   PHE  35          1HB       PHE  35  13.011  -3.555  -1.215
  309    HD1  PHE  35           1HD      PHE  35  16.082  -5.589  -0.705
  310    HD2  PHE  35           2HD      PHE  35  11.889  -5.566  -1.424
  311    HE1  PHE  35           1HE      PHE  35  16.025  -8.033  -0.423
  312    HE2  PHE  35           2HE      PHE  35  11.823  -8.009  -1.142
  313    HZ   PHE  35           HZ       PHE  35  13.893  -9.246  -0.641
  314    H    PHE  36           H        PHE  36  13.062  -3.478  -4.545
  315    HA   PHE  36           HA       PHE  36  12.688  -0.563  -4.498
  316   1HB   PHE  36          2HB       PHE  36  12.676  -2.608  -6.669
  317   2HB   PHE  36          1HB       PHE  36  11.684  -1.170  -6.873
  318    HD1  PHE  36           1HD      PHE  36  12.722   0.188  -8.416
  319    HD2  PHE  36           2HD      PHE  36  15.064  -1.645  -5.370
  320    HE1  PHE  36           1HE      PHE  36  14.698   1.438  -9.185
  321    HE2  PHE  36           2HE      PHE  36  17.041  -0.398  -6.132
  322    HZ   PHE  36           HZ       PHE  36  16.860   1.147  -8.041
  323    H    ILE  37           H        ILE  37  10.745   0.337  -4.209
  324    HA   ILE  37           HA       ILE  37   8.377  -1.412  -4.154
  325    HB   ILE  37           HB       ILE  37   7.553   0.158  -2.280
  326   1HG1  ILE  37          2HG1      ILE  37  10.149   0.467  -1.115
  327   2HG1  ILE  37          1HG1      ILE  37  10.157   1.219  -2.708
  328   1HG2  ILE  37          1HG2      ILE  37   9.559  -2.042  -2.009
  329   2HG2  ILE  37          2HG2      ILE  37   7.826  -2.059  -1.681
  330   3HG2  ILE  37          3HG2      ILE  37   8.925  -1.236  -0.574
  331   1HD1  ILE  37          1HD1      ILE  37   7.909   2.274  -1.859
  332   2HD1  ILE  37          2HD1      ILE  37   9.470   2.965  -1.417
  333   3HD1  ILE  37          3HD1      ILE  37   8.608   1.931  -0.277
  334    H    ASN  38           H        ASN  38   6.411  -0.439  -4.751
  335    HA   ASN  38           HA       ASN  38   6.558   2.307  -5.777
  336   1HB   ASN  38          2HB       ASN  38   5.036   0.414  -7.465
  337   2HB   ASN  38          1HB       ASN  38   6.039   1.785  -7.929
  338   1HD2  ASN  38          1HD2      ASN  38   5.797  -1.521  -7.906
  339   2HD2  ASN  38          2HD2      ASN  38   7.451  -1.920  -8.206
  340    H    SER  39           H        SER  39   4.379   3.176  -6.337
  341    HA   SER  39           HA       SER  39   2.082   1.891  -5.164
  342   1HB   SER  39          2HB       SER  39   2.995   4.516  -3.963
  343   2HB   SER  39          1HB       SER  39   1.618   3.535  -3.465
  344    HG   SER  39           HG       SER  39   4.331   3.190  -2.964
  345    H    ALA  40           H        ALA  40   0.396   2.377  -6.413
  346    HA   ALA  40           HA       ALA  40   0.068   5.059  -7.475
  347   1HB   ALA  40          1HB       ALA  40  -0.442   3.737  -9.765
  348   2HB   ALA  40          2HB       ALA  40   0.877   2.757  -9.124
  349   3HB   ALA  40          3HB       ALA  40   1.110   4.485  -9.389
  350    H    GLY  41           H        GLY  41  -2.000   4.925  -9.050
  351   1HA   GLY  41          2HA       GLY  41  -4.065   3.619  -7.408
  352   2HA   GLY  41          1HA       GLY  41  -4.319   5.014  -8.447
  353    H    THR  42           H        THR  42  -6.173   3.332  -8.882
  354    HA   THR  42           HA       THR  42  -5.551   1.150 -10.611
  355    HB   THR  42           HB       THR  42  -8.058   1.263 -11.130
  356    HG1  THR  42           1HG      THR  42  -8.856   3.151 -10.536
  357   1HG2  THR  42          1HG2      THR  42  -7.950   1.043  -8.221
  358   2HG2  THR  42          2HG2      THR  42  -6.654   0.166  -9.033
  359   3HG2  THR  42          3HG2      THR  42  -8.337  -0.177  -9.434
  360    H    SER  43           H        SER  43  -6.869   4.407 -11.150
  361    HA   SER  43           HA       SER  43  -6.087   4.156 -13.979
  362   1HB   SER  43          2HB       SER  43  -8.615   5.251 -12.781
  363   2HB   SER  43          1HB       SER  43  -8.047   5.826 -14.348
  364    HG   SER  43           HG       SER  43  -9.455   4.071 -14.608
  365    H    GLY  44           H        GLY  44  -5.453   5.681 -11.145
  366   1HA   GLY  44          2HA       GLY  44  -4.209   7.537 -10.617
  367   2HA   GLY  44          1HA       GLY  44  -3.803   7.648 -12.323
  368    H    GLU  45           H        GLU  45  -7.141   7.677 -11.458
  369    HA   GLU  45           HA       GLU  45  -7.708  10.089 -12.722
  370   1HB   GLU  45          2HB       GLU  45  -9.299   8.902 -10.445
  371   2HB   GLU  45          1HB       GLU  45  -9.895   9.956 -11.720
  372   1HG   GLU  45          2HG       GLU  45  -9.817   8.280 -13.319
  373   2HG   GLU  45          1HG       GLU  45  -8.691   7.300 -12.378
  374    H    HIS  46           H        HIS  46  -7.577   9.469  -9.217
  375    HA   HIS  46           HA       HIS  46  -6.776  12.276  -8.835
  376   1HB   HIS  46          2HB       HIS  46  -8.089  11.332  -6.486
  377   2HB   HIS  46          1HB       HIS  46  -8.560  12.659  -7.540
  378    HD1  HIS  46           1HD      HIS  46  -9.224   9.018  -6.913
  379    HD2  HIS  46           2HD      HIS  46 -10.692  12.134  -9.235
  380    HE1  HIS  46           1HE      HIS  46 -11.380   8.169  -7.888
  381    HE2  HIS  46           2HE      HIS  46 -12.299  10.107  -9.211
  382    H    ASP  47           H        ASP  47  -6.436   8.942  -8.014
  383    HA   ASP  47           HA       ASP  47  -5.051   8.862  -5.682
  384   1HB   ASP  47          2HB       ASP  47  -3.779   7.265  -7.815
  385   2HB   ASP  47          1HB       ASP  47  -4.463   6.750  -6.273
  386    H    GLY  48           H        GLY  48  -3.578  10.313  -5.036
  387   1HA   GLY  48          2HA       GLY  48  -1.210  10.790  -4.983
  388   2HA   GLY  48          1HA       GLY  48  -1.195  10.656  -6.735
  389    H    GLU  49           H        GLU  49  -3.676  12.389  -4.968
  390    HA   GLU  49           HA       GLU  49  -3.188  14.767  -6.479
  391   1HB   GLU  49          2HB       GLU  49  -5.287  13.723  -4.859
  392   2HB   GLU  49          1HB       GLU  49  -4.867  15.317  -4.245
  393   1HG   GLU  49          2HG       GLU  49  -5.557  14.689  -7.105
  394   2HG   GLU  49          1HG       GLU  49  -6.661  15.382  -5.919
  395    H    GLY  50           H        GLY  50  -3.475  14.543  -2.932
  396   1HA   GLY  50          2HA       GLY  50  -0.901  15.420  -2.306
  397   2HA   GLY  50          1HA       GLY  50  -1.904  16.850  -2.496
  398    H    MET  51           H        MET  51  -4.243  15.126  -1.477
  399    HA   MET  51           HA       MET  51  -3.668  14.372   1.180
  400   1HB   MET  51          2HB       MET  51  -4.686  16.225   2.404
  401   2HB   MET  51          1HB       MET  51  -3.289  16.774   1.489
  402   1HG   MET  51          2HG       MET  51  -4.526  18.064   0.100
  403   2HG   MET  51          1HG       MET  51  -5.928  16.998   0.175
  404   1HE   MET  51          1HE       MET  51  -3.980  19.947   2.062
  405   2HE   MET  51          2HE       MET  51  -5.457  20.898   2.217
  406   3HE   MET  51          3HE       MET  51  -4.952  20.305   0.635
  407    H    HIS  52           H        HIS  52  -5.675  14.051   2.488
  408    HA   HIS  52           HA       HIS  52  -8.226  14.165   1.227
  409   1HB   HIS  52          2HB       HIS  52  -7.129  12.220   0.041
  410   2HB   HIS  52          1HB       HIS  52  -7.104  11.385   1.591
  411    HD1  HIS  52           1HD      HIS  52  -9.662  12.999  -0.715
  412    HD2  HIS  52           2HD      HIS  52  -9.339   9.932   2.070
  413    HE1  HIS  52           1HE      HIS  52 -11.885  11.823  -0.750
  414    HE2  HIS  52           2HE      HIS  52 -11.650   9.939   0.908
  415    H    TYR  53           H        TYR  53  -9.918  13.625   2.620
  416    HA   TYR  53           HA       TYR  53  -9.627  14.155   5.289
  417   1HB   TYR  53          2HB       TYR  53 -11.749  13.863   3.737
  418   2HB   TYR  53          1HB       TYR  53 -11.783  12.261   4.463
  419    HD1  TYR  53           1HD      TYR  53 -13.748  12.416   5.751
  420    HD2  TYR  53           2HD      TYR  53 -10.750  15.411   6.138
  421    HE1  TYR  53           1HE      TYR  53 -14.919  13.328   7.710
  422    HE2  TYR  53           2HE      TYR  53 -11.912  16.329   8.100
  423    HH   TYR  53           HH       TYR  53 -14.866  15.950   8.831
  424    H    GLY  54           H        GLY  54  -9.529  12.956   7.185
  425   1HA   GLY  54          2HA       GLY  54  -9.334  11.012   8.481
  426   2HA   GLY  54          1HA       GLY  54  -9.200  10.068   7.006
  427    H    THR  55           H        THR  55  -7.157  10.153   5.841
  428    HA   THR  55           HA       THR  55  -4.977   9.644   7.498
  429    HB   THR  55           HB       THR  55  -5.258  10.103   4.551
  430    HG1  THR  55           1HG      THR  55  -5.094   7.971   4.542
  431   1HG2  THR  55          1HG2      THR  55  -2.710   9.227   4.704
  432   2HG2  THR  55          2HG2      THR  55  -2.758  10.282   6.116
  433   3HG2  THR  55          3HG2      THR  55  -3.145  10.926   4.521
  434    H    LYS  56           H        LYS  56  -5.621  12.526   5.491
  435    HA   LYS  56           HA       LYS  56  -3.306  13.931   6.156
  436   1HB   LYS  56          2HB       LYS  56  -4.334  15.848   5.250
  437   2HB   LYS  56          1HB       LYS  56  -5.039  14.499   4.371
  438   1HG   LYS  56          2HG       LYS  56  -7.103  14.893   5.161
  439   2HG   LYS  56          1HG       LYS  56  -6.520  15.335   6.767
  440   1HD   LYS  56          2HD       LYS  56  -5.937  17.188   4.520
  441   2HD   LYS  56          1HD       LYS  56  -7.596  17.116   5.119
  442   1HE   LYS  56          2HE       LYS  56  -7.052  18.019   7.137
  443   2HE   LYS  56          1HE       LYS  56  -5.432  17.326   7.132
  444   1HZ   LYS  56          1HZ       LYS  56  -6.373  19.853   6.039
  445   2HZ   LYS  56          2HZ       LYS  56  -5.202  19.037   5.133
  446   3HZ   LYS  56          3HZ       LYS  56  -4.882  19.463   6.737
  447    H    ASN  57           H        ASN  57  -6.356  13.626   7.878
  448    HA   ASN  57           HA       ASN  57  -5.970  15.677   9.758
  449   1HB   ASN  57          2HB       ASN  57  -8.125  14.508   9.392
  450   2HB   ASN  57          1HB       ASN  57  -7.446  13.059  10.127
  451   1HD2  ASN  57          1HD2      ASN  57  -7.783  12.791  12.211
  452   2HD2  ASN  57          2HD2      ASN  57  -8.226  14.026  13.335
  453    H    LYS  58           H        LYS  58  -5.217  12.201   9.936
  454    HA   LYS  58           HA       LYS  58  -4.051  12.259  12.497
  455   1HB   LYS  58          2HB       LYS  58  -4.688  10.150  11.544
  456   2HB   LYS  58          1HB       LYS  58  -3.640  10.399  10.154
  457   1HG   LYS  58          2HG       LYS  58  -2.630   8.812  11.648
  458   2HG   LYS  58          1HG       LYS  58  -1.681  10.300  11.650
  459   1HD   LYS  58          2HD       LYS  58  -1.813   9.851  13.908
  460   2HD   LYS  58          1HD       LYS  58  -3.209  10.912  13.687
  461   1HE   LYS  58          2HE       LYS  58  -3.522   7.965  13.385
  462   2HE   LYS  58          1HE       LYS  58  -3.462   8.677  15.001
  463   1HZ   LYS  58          1HZ       LYS  58  -5.285  10.184  14.264
  464   2HZ   LYS  58          2HZ       LYS  58  -5.726   8.554  14.346
  465   3HZ   LYS  58          3HZ       LYS  58  -5.414   9.269  12.847
  466    H    LEU  59           H        LEU  59  -2.619  12.425   9.268
  467    HA   LEU  59           HA       LEU  59   0.056  12.603   9.949
  468   1HB   LEU  59          2HB       LEU  59  -1.386  14.020   7.705
  469   2HB   LEU  59          1HB       LEU  59   0.351  13.824   7.816
  470    HG   LEU  59           HG       LEU  59  -1.635  11.566   7.544
  471   1HD1  LEU  59          1HD1      LEU  59   0.342  12.183   5.438
  472   2HD1  LEU  59          2HD1      LEU  59  -1.026  13.284   5.591
  473   3HD1  LEU  59          3HD1      LEU  59  -1.305  11.567   5.306
  474   1HD2  LEU  59          1HD2      LEU  59   1.378  11.540   7.424
  475   2HD2  LEU  59          2HD2      LEU  59   0.306  10.156   7.213
  476   3HD2  LEU  59          3HD2      LEU  59   0.409  10.962   8.778
  477    H    ALA  60           H        ALA  60  -2.333  15.204   9.636
  478    HA   ALA  60           HA       ALA  60  -0.623  17.352  10.179
  479   1HB   ALA  60          1HB       ALA  60  -3.572  16.934  10.348
  480   2HB   ALA  60          2HB       ALA  60  -2.646  18.030   9.323
  481   3HB   ALA  60          3HB       ALA  60  -2.869  18.399  11.034
  482    H    GLN  61           H        GLN  61  -2.287  15.102  12.287
  483    HA   GLN  61           HA       GLN  61  -2.106  16.472  14.704
  484   1HB   GLN  61          2HB       GLN  61  -2.564  13.726  13.851
  485   2HB   GLN  61          1HB       GLN  61  -1.726  13.817  15.392
  486   1HG   GLN  61          2HG       GLN  61  -3.496  14.766  16.464
  487   2HG   GLN  61          1HG       GLN  61  -4.110  15.536  15.003
  488   1HE2  GLN  61          1HE2      GLN  61  -3.240  12.152  15.418
  489   2HE2  GLN  61          2HE2      GLN  61  -4.830  11.522  15.171
  490    H    LEU  62           H        LEU  62   0.214  14.019  13.448
  491    HA   LEU  62           HA       LEU  62   2.334  15.490  14.817
  492   1HB   LEU  62          2HB       LEU  62   3.245  13.047  15.389
  493   2HB   LEU  62          1HB       LEU  62   2.295  14.005  16.499
  494    HG   LEU  62           HG       LEU  62   1.720  11.529  16.246
  495   1HD1  LEU  62          1HD1      LEU  62  -0.860  12.462  15.917
  496   2HD1  LEU  62          2HD1      LEU  62   0.031  13.851  16.539
  497   3HD1  LEU  62          3HD1      LEU  62   0.034  12.330  17.432
  498   1HD2  LEU  62          1HD2      LEU  62   0.154  12.424  13.852
  499   2HD2  LEU  62          2HD2      LEU  62   0.440  10.787  14.442
  500   3HD2  LEU  62          3HD2      LEU  62   1.753  11.697  13.697
  501    H    ASN  63           H        ASN  63   1.411  13.133  12.387
  502    HA   ASN  63           HA       ASN  63   4.056  12.733  11.379
  503   1HB   ASN  63          2HB       ASN  63   1.479  12.298   9.859
  504   2HB   ASN  63          1HB       ASN  63   3.033  11.505   9.598
  505   1HD2  ASN  63          1HD2      ASN  63   0.053  11.012  10.748
  506   2HD2  ASN  63          2HD2      ASN  63   0.368   9.785  11.922
  507    H    ILE  64           H        ILE  64   3.579  13.028   8.591
  508    HA   ILE  64           HA       ILE  64   3.848  15.942   8.372
  509    HB   ILE  64           HB       ILE  64   4.471  14.110   6.097
  510   1HG1  ILE  64          2HG1      ILE  64   5.540  13.029   8.030
  511   2HG1  ILE  64          1HG1      ILE  64   6.741  13.734   6.955
  512   1HG2  ILE  64          1HG2      ILE  64   6.451  15.957   6.254
  513   2HG2  ILE  64          2HG2      ILE  64   5.098  16.840   6.963
  514   3HG2  ILE  64          3HG2      ILE  64   4.956  16.164   5.340
  515   1HD1  ILE  64          1HD1      ILE  64   5.833  15.455   9.163
  516   2HD1  ILE  64          2HD1      ILE  64   7.449  15.203   8.503
  517   3HD1  ILE  64          3HD1      ILE  64   6.759  14.025   9.620
  518    H    GLU  65           H        GLU  65   2.365  17.132   7.323
  519    HA   GLU  65           HA       GLU  65  -0.139  16.178   6.697
  520   1HB   GLU  65          2HB       GLU  65   0.997  18.652   6.827
  521   2HB   GLU  65          1HB       GLU  65   0.667  18.508   5.105
  522   1HG   GLU  65          2HG       GLU  65  -1.677  17.646   6.175
  523   2HG   GLU  65          1HG       GLU  65  -1.169  18.851   7.357
  524    H    HIS  66           H        HIS  66   2.657  15.786   4.922
  525    HA   HIS  66           HA       HIS  66   1.546  14.137   2.996
  526   1HB   HIS  66          2HB       HIS  66   1.595  15.482   0.961
  527   2HB   HIS  66          1HB       HIS  66   0.467  16.176   2.119
  528    HD1  HIS  66           1HD      HIS  66   1.498  17.947  -0.097
  529    HD2  HIS  66           2HD      HIS  66   3.402  17.608   3.583
  530    HE1  HIS  66           1HE      HIS  66   2.847  20.054   0.161
  531    HE2  HIS  66           2HE      HIS  66   4.013  19.814   2.381
  532    H    LYS  67           H        LYS  67   3.041  13.384   1.421
  533    HA   LYS  67           HA       LYS  67   5.643  14.336   1.071
  534   1HB   LYS  67          2HB       LYS  67   5.365  13.187   3.581
  535   2HB   LYS  67          1HB       LYS  67   6.053  11.893   2.610
  536   1HG   LYS  67          2HG       LYS  67   8.020  12.825   3.085
  537   2HG   LYS  67          1HG       LYS  67   7.583  14.037   1.879
  538   1HD   LYS  67          2HD       LYS  67   6.587  15.414   3.659
  539   2HD   LYS  67          1HD       LYS  67   7.092  14.215   4.850
  540   1HE   LYS  67          2HE       LYS  67   9.416  14.716   3.486
  541   2HE   LYS  67          1HE       LYS  67   8.638  16.299   3.503
  542   1HZ   LYS  67          1HZ       LYS  67   8.531  14.952   6.037
  543   2HZ   LYS  67          2HZ       LYS  67   9.018  16.530   5.673
  544   3HZ   LYS  67          3HZ       LYS  67  10.113  15.249   5.518
  545    H    ASN  68           H        ASN  68   6.545  13.328  -0.640
  546    HA   ASN  68           HA       ASN  68   6.779  11.927  -2.410
  547   1HB   ASN  68          2HB       ASN  68   5.505   9.728  -0.799
  548   2HB   ASN  68          1HB       ASN  68   6.752   9.603  -2.037
  549   1HD2  ASN  68          1HD2      ASN  68   8.450  11.638  -1.142
  550   2HD2  ASN  68          2HD2      ASN  68   9.159  11.138   0.351
  551    H    PHE  69           H        PHE  69   4.355  13.472  -2.054
  552    HA   PHE  69           HA       PHE  69   2.180  11.831  -3.040
  553   1HB   PHE  69          2HB       PHE  69   2.463  14.434  -1.825
  554   2HB   PHE  69          1HB       PHE  69   1.490  14.545  -3.288
  555    HD1  PHE  69           1HD      PHE  69  -0.343  12.639  -3.502
  556    HD2  PHE  69           2HD      PHE  69   1.394  13.975   0.145
  557    HE1  PHE  69           1HE      PHE  69  -2.299  11.800  -2.268
  558    HE2  PHE  69           2HE      PHE  69  -0.558  13.138   1.386
  559    HZ   PHE  69           HZ       PHE  69  -2.408  12.049   0.179
  560    H    THR  70           H        THR  70   1.886  11.369  -5.105
  561    HA   THR  70           HA       THR  70   2.291  13.356  -7.161
  562    HB   THR  70           HB       THR  70   3.605  11.209  -8.331
  563    HG1  THR  70           1HG      THR  70   4.428  11.569  -5.635
  564   1HG2  THR  70          1HG2      THR  70   4.627  13.089  -8.995
  565   2HG2  THR  70          2HG2      THR  70   5.619  12.929  -7.546
  566   3HG2  THR  70          3HG2      THR  70   4.179  13.946  -7.520
  567    H    SER  71           H        SER  71   0.826  13.106  -8.747
  568    HA   SER  71           HA       SER  71  -1.183  11.144  -8.576
  569   1HB   SER  71          2HB       SER  71  -1.061  12.205 -11.238
  570   2HB   SER  71          1HB       SER  71  -2.217  12.572  -9.957
  571    HG   SER  71           HG       SER  71  -0.553  14.235 -10.941
  572    H    LYS  72           H        LYS  72  -0.585   9.042  -8.745
  573    HA   LYS  72           HA       LYS  72   0.890   8.258 -11.172
  574   1HB   LYS  72          2HB       LYS  72   1.276   7.562  -8.399
  575   2HB   LYS  72          1HB       LYS  72   0.969   6.118  -9.353
  576   1HG   LYS  72          2HG       LYS  72   2.867   6.401 -10.639
  577   2HG   LYS  72          1HG       LYS  72   2.969   8.128 -10.290
  578   1HD   LYS  72          2HD       LYS  72   3.236   7.095  -7.803
  579   2HD   LYS  72          1HD       LYS  72   3.985   5.821  -8.768
  580   1HE   LYS  72          2HE       LYS  72   5.838   7.058  -8.742
  581   2HE   LYS  72          1HE       LYS  72   5.006   8.153  -9.845
  582   1HZ   LYS  72          1HZ       LYS  72   5.621   9.569  -8.175
  583   2HZ   LYS  72          2HZ       LYS  72   5.445   8.411  -6.954
  584   3HZ   LYS  72          3HZ       LYS  72   4.076   9.132  -7.637
  585    H    LYS  73           H        LYS  73   0.244   6.404 -12.299
  586    HA   LYS  73           HA       LYS  73  -2.386   5.293 -11.599
  587   1HB   LYS  73          2HB       LYS  73  -2.307   5.369 -14.402
  588   2HB   LYS  73          1HB       LYS  73  -3.343   6.311 -13.342
  589   1HG   LYS  73          2HG       LYS  73  -1.700   8.099 -13.287
  590   2HG   LYS  73          1HG       LYS  73  -0.614   7.146 -14.300
  591   1HD   LYS  73          2HD       LYS  73  -1.571   8.330 -15.967
  592   2HD   LYS  73          1HD       LYS  73  -2.836   7.107 -15.823
  593   1HE   LYS  73          2HE       LYS  73  -3.806   8.747 -14.033
  594   2HE   LYS  73          1HE       LYS  73  -2.806   9.937 -14.865
  595   1HZ   LYS  73          1HZ       LYS  73  -4.120   9.904 -16.678
  596   2HZ   LYS  73          2HZ       LYS  73  -5.292   9.372 -15.582
  597   3HZ   LYS  73          3HZ       LYS  73  -4.473   8.254 -16.552
  598    H    LEU  74           H        LEU  74  -1.651   3.296 -11.026
  599    HA   LEU  74           HA       LEU  74   0.415   1.845 -12.187
  600   1HB   LEU  74          2HB       LEU  74  -0.182   0.776 -10.298
  601   2HB   LEU  74          1HB       LEU  74  -1.852   1.289 -10.416
  602    HG   LEU  74           HG       LEU  74  -1.333  -0.705 -12.417
  603   1HD1  LEU  74          1HD1      LEU  74   0.238  -1.093 -10.132
  604   2HD1  LEU  74          2HD1      LEU  74  -0.116  -2.258 -11.408
  605   3HD1  LEU  74          3HD1      LEU  74  -1.136  -2.187  -9.971
  606   1HD2  LEU  74          1HD2      LEU  74  -3.035  -1.860 -10.708
  607   2HD2  LEU  74          2HD2      LEU  74  -3.523  -0.609 -11.852
  608   3HD2  LEU  74          3HD2      LEU  74  -3.185  -0.186 -10.173
  609    H    THR  75           H        THR  75   0.650   0.999 -14.151
  610    HA   THR  75           HA       THR  75  -1.772   0.418 -15.730
  611    HB   THR  75           HB       THR  75   0.687   0.686 -17.278
  612    HG1  THR  75           1HG      THR  75  -0.072   3.203 -16.650
  613   1HG2  THR  75          1HG2      THR  75  -2.156   1.441 -17.406
  614   2HG2  THR  75          2HG2      THR  75  -1.081   0.851 -18.673
  615   3HG2  THR  75          3HG2      THR  75  -1.048   2.552 -18.209
  616    H    GLN  76           H        GLN  76  -0.927  -1.062 -17.733
  617    HA   GLN  76           HA       GLN  76  -0.513  -3.615 -16.600
  618   1HB   GLN  76          2HB       GLN  76  -1.692  -3.055 -18.788
  619   2HB   GLN  76          1HB       GLN  76  -0.091  -2.907 -19.501
  620   1HG   GLN  76          2HG       GLN  76   0.394  -5.211 -19.006
  621   2HG   GLN  76          1HG       GLN  76  -1.131  -5.382 -18.140
  622   1HE2  GLN  76          1HE2      GLN  76  -0.086  -4.133 -21.299
  623   2HE2  GLN  76          2HE2      GLN  76  -1.269  -4.992 -22.219
  624    H    LYS  77           H        LYS  77   1.615  -1.498 -18.508
  625    HA   LYS  77           HA       LYS  77   3.845  -3.186 -18.564
  626   1HB   LYS  77          2HB       LYS  77   3.335  -0.883 -19.753
  627   2HB   LYS  77          1HB       LYS  77   4.211  -0.225 -18.378
  628   1HG   LYS  77          2HG       LYS  77   6.201  -1.045 -19.073
  629   2HG   LYS  77          1HG       LYS  77   5.479  -2.481 -19.803
  630   1HD   LYS  77          2HD       LYS  77   4.747   0.047 -21.099
  631   2HD   LYS  77          1HD       LYS  77   6.464  -0.353 -21.189
  632   1HE   LYS  77          2HE       LYS  77   4.881  -2.686 -21.723
  633   2HE   LYS  77          1HE       LYS  77   4.371  -1.363 -22.770
  634   1HZ   LYS  77          1HZ       LYS  77   6.093  -1.938 -24.033
  635   2HZ   LYS  77          2HZ       LYS  77   6.784  -2.906 -22.830
  636   3HZ   LYS  77          3HZ       LYS  77   7.086  -1.242 -22.852
  637    H    LEU  78           H        LEU  78   2.825  -0.770 -16.196
  638    HA   LEU  78           HA       LEU  78   5.135  -0.899 -14.573
  639   1HB   LEU  78          2HB       LEU  78   2.952   0.696 -14.639
  640   2HB   LEU  78          1HB       LEU  78   2.548  -0.320 -13.269
  641    HG   LEU  78           HG       LEU  78   4.909   0.294 -12.398
  642   1HD1  LEU  78          1HD1      LEU  78   4.455   2.638 -14.230
  643   2HD1  LEU  78          2HD1      LEU  78   5.587   1.330 -14.571
  644   3HD1  LEU  78          3HD1      LEU  78   5.826   2.355 -13.156
  645   1HD2  LEU  78          1HD2      LEU  78   3.758   2.715 -11.879
  646   2HD2  LEU  78          2HD2      LEU  78   3.426   1.223 -11.001
  647   3HD2  LEU  78          3HD2      LEU  78   2.363   1.729 -12.314
  648    H    CYS  79           H        CYS  79   2.091  -2.674 -14.580
  649    HA   CYS  79           HA       CYS  79   2.512  -4.069 -12.155
  650   1HB   CYS  79          2HB       CYS  79   0.339  -4.396 -12.634
  651   2HB   CYS  79          1HB       CYS  79   0.589  -4.113 -14.352
  652    HG   CYS  79           HG       CYS  79   1.756  -7.073 -13.350
  653    H    ASP  80           H        ASP  80   3.292  -4.769 -15.518
  654    HA   ASP  80           HA       ASP  80   4.159  -7.420 -15.174
  655   1HB   ASP  80          2HB       ASP  80   4.007  -5.562 -17.294
  656   2HB   ASP  80          1HB       ASP  80   5.681  -6.099 -17.224
  657    H    GLU  81           H        GLU  81   5.574  -4.438 -14.267
  658    HA   GLU  81           HA       GLU  81   8.297  -5.378 -14.243
  659   1HB   GLU  81          2HB       GLU  81   6.933  -2.888 -13.247
  660   2HB   GLU  81          1HB       GLU  81   8.621  -3.217 -12.879
  661   1HG   GLU  81          2HG       GLU  81   7.710  -3.339 -15.710
  662   2HG   GLU  81          1HG       GLU  81   7.948  -1.768 -14.947
  663    H    SER  82           H        SER  82   6.028  -4.387 -11.654
  664    HA   SER  82           HA       SER  82   7.601  -5.345  -9.539
  665   1HB   SER  82          2HB       SER  82   5.690  -5.010  -8.153
  666   2HB   SER  82          1HB       SER  82   5.620  -3.761  -9.397
  667    HG   SER  82           HG       SER  82   3.712  -5.359  -8.811
  668    H    ASP  83           H        ASP  83   7.861  -7.299  -8.639
  669    HA   ASP  83           HA       ASP  83   6.733  -9.588 -10.009
  670   1HB   ASP  83          2HB       ASP  83   9.152  -9.440  -9.300
  671   2HB   ASP  83          1HB       ASP  83   8.601  -9.584  -7.633
  672    H    PHE  84           H        PHE  84   6.053  -7.718  -7.239
  673    HA   PHE  84           HA       PHE  84   4.202  -9.806  -6.282
  674   1HB   PHE  84          2HB       PHE  84   6.236  -8.306  -4.832
  675   2HB   PHE  84          1HB       PHE  84   4.641  -8.131  -4.108
  676    HD1  PHE  84           1HD      PHE  84   6.990 -10.734  -5.369
  677    HD2  PHE  84           2HD      PHE  84   3.870  -9.743  -2.649
  678    HE1  PHE  84           1HE      PHE  84   7.248 -12.924  -4.279
  679    HE2  PHE  84           2HE      PHE  84   4.123 -11.932  -1.554
  680    HZ   PHE  84           HZ       PHE  84   5.815 -13.526  -2.368
  681    H    LEU  85           H        LEU  85   2.154  -9.244  -6.576
  682    HA   LEU  85           HA       LEU  85   1.451  -6.423  -6.885
  683   1HB   LEU  85          2HB       LEU  85   0.224  -9.013  -7.675
  684   2HB   LEU  85          1HB       LEU  85  -0.869  -7.684  -7.342
  685    HG   LEU  85           HG       LEU  85  -0.360  -7.868  -9.731
  686   1HD1  LEU  85          1HD1      LEU  85  -0.130  -5.604 -10.125
  687   2HD1  LEU  85          2HD1      LEU  85   1.016  -5.384  -8.802
  688   3HD1  LEU  85          3HD1      LEU  85  -0.694  -5.638  -8.454
  689   1HD2  LEU  85          1HD2      LEU  85   1.726  -8.676 -10.099
  690   2HD2  LEU  85          2HD2      LEU  85   2.419  -7.828  -8.717
  691   3HD2  LEU  85          3HD2      LEU  85   2.102  -6.958 -10.216
  692    H    ILE  86           H        ILE  86   0.246  -5.304  -5.427
  693    HA   ILE  86           HA       ILE  86  -0.845  -6.824  -3.152
  694    HB   ILE  86           HB       ILE  86   0.736  -4.263  -3.084
  695   1HG1  ILE  86          2HG1      ILE  86   1.861  -5.695  -1.210
  696   2HG1  ILE  86          1HG1      ILE  86   1.069  -7.046  -2.012
  697   1HG2  ILE  86          1HG2      ILE  86  -0.454  -3.549  -1.352
  698   2HG2  ILE  86          2HG2      ILE  86   0.006  -5.004  -0.467
  699   3HG2  ILE  86          3HG2      ILE  86  -1.476  -4.986  -1.423
  700   1HD1  ILE  86          1HD1      ILE  86   2.307  -5.617  -4.054
  701   2HD1  ILE  86          2HD1      ILE  86   2.819  -7.154  -3.356
  702   3HD1  ILE  86          3HD1      ILE  86   3.467  -5.640  -2.726
  703    H    THR  87           H        THR  87  -2.939  -6.614  -2.986
  704    HA   THR  87           HA       THR  87  -4.218  -4.083  -3.798
  705    HB   THR  87           HB       THR  87  -6.290  -5.423  -4.190
  706    HG1  THR  87           1HG      THR  87  -5.296  -7.825  -4.557
  707   1HG2  THR  87          1HG2      THR  87  -5.685  -5.489  -6.334
  708   2HG2  THR  87          2HG2      THR  87  -4.599  -6.846  -6.031
  709   3HG2  THR  87          3HG2      THR  87  -4.022  -5.192  -5.829
  710    H    MET  88           H        MET  88  -4.549  -2.997  -1.936
  711    HA   MET  88           HA       MET  88  -5.179  -4.391   0.514
  712   1HB   MET  88          2HB       MET  88  -3.607  -2.514   0.538
  713   2HB   MET  88          1HB       MET  88  -4.839  -1.446  -0.113
  714   1HG   MET  88          2HG       MET  88  -5.582  -2.813   2.366
  715   2HG   MET  88          1HG       MET  88  -4.229  -1.694   2.507
  716   1HE   MET  88          1HE       MET  88  -6.348   1.067   3.697
  717   2HE   MET  88          2HE       MET  88  -4.927   0.034   3.849
  718   3HE   MET  88          3HE       MET  88  -6.512  -0.570   4.334
  719    H    ASP  89           H        ASP  89  -6.781  -2.387  -1.879
  720    HA   ASP  89           HA       ASP  89  -9.192  -2.109  -0.318
  721   1HB   ASP  89          2HB       ASP  89  -8.770  -1.520  -3.255
  722   2HB   ASP  89          1HB       ASP  89 -10.096  -0.952  -2.248
  723    H    ASN  90           H        ASN  90 -11.167  -3.114  -0.727
  724    HA   ASN  90           HA       ASN  90 -11.023  -5.819  -1.486
  725   1HB   ASN  90          2HB       ASN  90 -12.802  -4.317  -0.073
  726   2HB   ASN  90          1HB       ASN  90 -13.693  -4.573  -1.570
  727   1HD2  ASN  90          1HD2      ASN  90 -13.398  -5.707   1.404
  728   2HD2  ASN  90          2HD2      ASN  90 -13.735  -7.383   1.156
  729    H    SER  91           H        SER  91 -12.417  -2.999  -3.147
  730    HA   SER  91           HA       SER  91 -13.219  -4.483  -5.446
  731   1HB   SER  91          2HB       SER  91 -14.077  -2.179  -4.584
  732   2HB   SER  91          1HB       SER  91 -12.718  -1.521  -5.492
  733    HG   SER  91           HG       SER  91 -14.147  -3.346  -6.924
  734    H    ASN  92           H        ASN  92 -10.247  -3.123  -4.405
  735    HA   ASN  92           HA       ASN  92  -9.005  -2.570  -6.851
  736   1HB   ASN  92          2HB       ASN  92  -8.206  -2.859  -4.085
  737   2HB   ASN  92          1HB       ASN  92  -6.999  -3.556  -5.162
  738   1HD2  ASN  92          1HD2      ASN  92  -6.240  -1.464  -3.723
  739   2HD2  ASN  92          2HD2      ASN  92  -6.115  -0.041  -4.695
  740    H    PHE  93           H        PHE  93  -9.443  -5.582  -5.106
  741    HA   PHE  93           HA       PHE  93  -7.661  -7.162  -6.615
  742   1HB   PHE  93          2HB       PHE  93  -8.365  -8.044  -4.536
  743   2HB   PHE  93          1HB       PHE  93 -10.067  -7.818  -4.922
  744    HD1  PHE  93           1HD      PHE  93 -11.297  -9.638  -5.618
  745    HD2  PHE  93           2HD      PHE  93  -7.071  -9.684  -6.120
  746    HE1  PHE  93           1HE      PHE  93 -11.421 -11.961  -6.420
  747    HE2  PHE  93           2HE      PHE  93  -7.188 -12.006  -6.925
  748    HZ   PHE  93           HZ       PHE  93  -9.365 -13.148  -7.076
  749    H    LYS  94           H        LYS  94 -11.123  -6.491  -6.968
  750    HA   LYS  94           HA       LYS  94 -11.557  -8.251  -9.137
  751   1HB   LYS  94          2HB       LYS  94 -13.129  -6.594  -7.547
  752   2HB   LYS  94          1HB       LYS  94 -13.290  -5.917  -9.162
  753   1HG   LYS  94          2HG       LYS  94 -13.932  -8.150  -9.996
  754   2HG   LYS  94          1HG       LYS  94 -13.860  -8.758  -8.342
  755   1HD   LYS  94          2HD       LYS  94 -16.070  -8.258  -8.387
  756   2HD   LYS  94          1HD       LYS  94 -15.473  -6.651  -7.965
  757   1HE   LYS  94          2HE       LYS  94 -16.825  -6.115  -9.726
  758   2HE   LYS  94          1HE       LYS  94 -15.311  -6.399 -10.582
  759   1HZ   LYS  94          1HZ       LYS  94 -16.076  -8.680 -11.020
  760   2HZ   LYS  94          2HZ       LYS  94 -17.097  -7.517 -11.703
  761   3HZ   LYS  94          3HZ       LYS  94 -17.558  -8.318 -10.287
  762    H    ASN  95           H        ASN  95 -10.681  -4.831  -8.971
  763    HA   ASN  95           HA       ASN  95 -10.931  -4.261 -11.713
  764   1HB   ASN  95          2HB       ASN  95 -10.191  -2.853  -9.411
  765   2HB   ASN  95          1HB       ASN  95  -8.786  -2.762 -10.469
  766   1HD2  ASN  95          1HD2      ASN  95 -11.729  -1.416  -9.713
  767   2HD2  ASN  95          2HD2      ASN  95 -11.968  -0.469 -11.137
  768    H    VAL  96           H        VAL  96  -7.994  -4.993  -9.822
  769    HA   VAL  96           HA       VAL  96  -6.253  -5.108 -12.020
  770    HB   VAL  96           HB       VAL  96  -4.696  -6.287 -10.541
  771   1HG1  VAL  96          1HG1      VAL  96  -5.191  -4.562  -8.490
  772   2HG1  VAL  96          2HG1      VAL  96  -6.085  -3.814  -9.813
  773   3HG1  VAL  96          3HG1      VAL  96  -4.361  -4.139  -9.987
  774   1HG2  VAL  96          1HG2      VAL  96  -6.172  -7.812  -9.419
  775   2HG2  VAL  96          2HG2      VAL  96  -7.068  -6.479  -8.688
  776   3HG2  VAL  96          3HG2      VAL  96  -5.400  -6.790  -8.207
  777    H    LEU  97           H        LEU  97  -8.534  -7.394 -10.795
  778    HA   LEU  97           HA       LEU  97  -7.406  -9.775 -11.791
  779   1HB   LEU  97          2HB       LEU  97  -9.529  -9.223 -10.245
  780   2HB   LEU  97          1HB       LEU  97 -10.358  -9.497 -11.765
  781    HG   LEU  97           HG       LEU  97 -10.257 -11.509 -10.325
  782   1HD1  LEU  97          1HD1      LEU  97  -9.052 -12.947 -12.181
  783   2HD1  LEU  97          2HD1      LEU  97  -9.111 -11.421 -13.062
  784   3HD1  LEU  97          3HD1      LEU  97 -10.602 -12.162 -12.480
  785   1HD2  LEU  97          1HD2      LEU  97  -7.720 -10.759  -9.748
  786   2HD2  LEU  97          2HD2      LEU  97  -7.432 -12.017 -10.950
  787   3HD2  LEU  97          3HD2      LEU  97  -8.360 -12.383  -9.495
  788    H    LYS  98           H        LYS  98  -9.643  -7.444 -13.253
  789    HA   LYS  98           HA       LYS  98  -9.531  -8.940 -15.770
  790   1HB   LYS  98          2HB       LYS  98 -11.328  -6.687 -14.866
  791   2HB   LYS  98          1HB       LYS  98 -11.372  -7.397 -16.474
  792   1HG   LYS  98          2HG       LYS  98 -11.664  -9.158 -14.087
  793   2HG   LYS  98          1HG       LYS  98 -13.035  -8.192 -14.636
  794   1HD   LYS  98          2HD       LYS  98 -12.837  -9.196 -16.866
  795   2HD   LYS  98          1HD       LYS  98 -11.479 -10.171 -16.301
  796   1HE   LYS  98          2HE       LYS  98 -13.798 -10.422 -14.578
  797   2HE   LYS  98          1HE       LYS  98 -14.160 -10.873 -16.243
  798   1HZ   LYS  98          1HZ       LYS  98 -13.315 -12.838 -15.637
  799   2HZ   LYS  98          2HZ       LYS  98 -12.504 -12.208 -14.292
  800   3HZ   LYS  98          3HZ       LYS  98 -11.805 -12.098 -15.829
  801    H    ASN  99           H        ASN  99  -7.906  -6.451 -14.298
  802    HA   ASN  99           HA       ASN  99  -7.500  -4.939 -16.771
  803   1HB   ASN  99          2HB       ASN  99  -7.938  -3.807 -14.531
  804   2HB   ASN  99          1HB       ASN  99  -6.314  -4.309 -14.071
  805   1HD2  ASN  99          1HD2      ASN  99  -6.065  -1.956 -13.843
  806   2HD2  ASN  99          2HD2      ASN  99  -5.599  -1.045 -15.236
  807    H    PHE 100           H        PHE 100  -6.009  -7.380 -14.901
  808    HA   PHE 100           HA       PHE 100  -3.483  -6.964 -16.361
  809   1HB   PHE 100          2HB       PHE 100  -3.910  -8.216 -13.643
  810   2HB   PHE 100          1HB       PHE 100  -2.374  -8.197 -14.500
  811    HD1  PHE 100           1HD      PHE 100  -3.097  -7.039 -11.733
  812    HD2  PHE 100           2HD      PHE 100  -2.807  -5.322 -15.616
  813    HE1  PHE 100           1HE      PHE 100  -2.581  -4.856 -10.726
  814    HE2  PHE 100           2HE      PHE 100  -2.291  -3.137 -14.615
  815    HZ   PHE 100           HZ       PHE 100  -2.177  -2.902 -12.167
  816    H    THR 101           H        THR 101  -2.193  -9.134 -16.379
  817    HA   THR 101           HA       THR 101  -3.804 -11.000 -17.873
  818    HB   THR 101           HB       THR 101  -1.296 -12.152 -17.607
  819    HG1  THR 101           1HG      THR 101  -0.049 -10.108 -18.225
  820   1HG2  THR 101          1HG2      THR 101  -1.996 -12.177 -19.758
  821   2HG2  THR 101          2HG2      THR 101  -1.023 -10.711 -19.878
  822   3HG2  THR 101          3HG2      THR 101  -2.766 -10.595 -19.636
  823    H    ASN 102           H        ASN 102  -2.634 -13.418 -17.380
  824    HA   ASN 102           HA       ASN 102  -4.083 -14.374 -15.168
  825   1HB   ASN 102          2HB       ASN 102  -2.951 -15.514 -17.364
  826   2HB   ASN 102          1HB       ASN 102  -1.847 -16.052 -16.101
  827   1HD2  ASN 102          1HD2      ASN 102  -2.538 -17.502 -14.581
  828   2HD2  ASN 102          2HD2      ASN 102  -4.052 -18.328 -14.682
  829    H    THR 103           H        THR 103  -1.614 -12.415 -14.831
  830    HA   THR 103           HA       THR 103  -0.080 -13.906 -12.861
  831    HB   THR 103           HB       THR 103   1.579 -12.512 -13.391
  832    HG1  THR 103           1HG      THR 103   0.923 -10.067 -13.168
  833   1HG2  THR 103          1HG2      THR 103  -0.356 -10.920 -15.075
  834   2HG2  THR 103          2HG2      THR 103   0.411 -12.421 -15.595
  835   3HG2  THR 103          3HG2      THR 103   1.397 -11.000 -15.251
  836    H    GLN 104           H        GLN 104  -2.977 -12.520 -12.820
  837    HA   GLN 104           HA       GLN 104  -2.968 -10.759 -10.636
  838   1HB   GLN 104          2HB       GLN 104  -5.444 -11.823 -10.464
  839   2HB   GLN 104          1HB       GLN 104  -4.993 -10.584 -11.625
  840   1HG   GLN 104          2HG       GLN 104  -6.167 -12.197 -12.848
  841   2HG   GLN 104          1HG       GLN 104  -4.468 -12.469 -13.228
  842   1HE2  GLN 104          1HE2      GLN 104  -5.294 -14.572 -13.914
  843   2HE2  GLN 104          2HE2      GLN 104  -5.456 -15.826 -12.739
  844    H    ASN 105           H        ASN 105  -2.264 -14.026 -10.696
  845    HA   ASN 105           HA       ASN 105  -3.399 -14.769  -8.170
  846   1HB   ASN 105          2HB       ASN 105  -2.382 -16.165 -10.305
  847   2HB   ASN 105          1HB       ASN 105  -1.104 -16.341  -9.105
  848   1HD2  ASN 105          1HD2      ASN 105  -1.728 -17.160  -6.993
  849   2HD2  ASN 105          2HD2      ASN 105  -3.030 -18.291  -6.885
  850    H    LYS 106           H        LYS 106  -1.102 -12.598  -8.807
  851    HA   LYS 106           HA       LYS 106   0.582 -13.336  -6.507
  852   1HB   LYS 106          2HB       LYS 106   1.156 -11.410  -8.766
  853   2HB   LYS 106          1HB       LYS 106   2.244 -11.763  -7.431
  854   1HG   LYS 106          2HG       LYS 106   1.261 -13.968  -9.191
  855   2HG   LYS 106          1HG       LYS 106   2.593 -12.933  -9.710
  856   1HD   LYS 106          2HD       LYS 106   3.673 -13.469  -7.467
  857   2HD   LYS 106          1HD       LYS 106   2.457 -14.737  -7.307
  858   1HE   LYS 106          2HE       LYS 106   4.462 -15.699  -8.214
  859   2HE   LYS 106          1HE       LYS 106   3.227 -15.675  -9.471
  860   1HZ   LYS 106          1HZ       LYS 106   4.375 -13.391 -10.010
  861   2HZ   LYS 106          2HZ       LYS 106   4.984 -14.845 -10.622
  862   3HZ   LYS 106          3HZ       LYS 106   5.703 -14.132  -9.267
  863    H    VAL 107           H        VAL 107  -2.110 -11.954  -6.590
  864    HA   VAL 107           HA       VAL 107  -1.466  -9.291  -5.603
  865    HB   VAL 107           HB       VAL 107  -3.899  -8.962  -5.458
  866   1HG1  VAL 107          1HG1      VAL 107  -3.603  -8.261  -7.547
  867   2HG1  VAL 107          2HG1      VAL 107  -4.113  -9.859  -8.091
  868   3HG1  VAL 107          3HG1      VAL 107  -2.400  -9.513  -7.856
  869   1HG2  VAL 107          1HG2      VAL 107  -5.430 -10.603  -5.601
  870   2HG2  VAL 107          2HG2      VAL 107  -4.077 -11.659  -5.195
  871   3HG2  VAL 107          3HG2      VAL 107  -4.555 -11.445  -6.878
  872    H    LEU 108           H        LEU 108  -1.745  -8.580  -3.530
  873    HA   LEU 108           HA       LEU 108  -2.210 -10.656  -1.495
  874   1HB   LEU 108          2HB       LEU 108  -0.373  -8.352  -1.677
  875   2HB   LEU 108          1HB       LEU 108  -1.121  -8.592  -0.108
  876    HG   LEU 108           HG       LEU 108  -0.268 -11.121  -0.679
  877   1HD1  LEU 108          1HD1      LEU 108   0.911  -9.840  -2.685
  878   2HD1  LEU 108          2HD1      LEU 108   1.678 -11.190  -1.850
  879   3HD1  LEU 108          3HD1      LEU 108   2.116  -9.533  -1.435
  880   1HD2  LEU 108          1HD2      LEU 108   1.203 -10.827   1.082
  881   2HD2  LEU 108          2HD2      LEU 108   0.031  -9.538   1.352
  882   3HD2  LEU 108          3HD2      LEU 108   1.591  -9.171   0.617
  883    H    LYS 109           H        LYS 109  -3.866 -10.438  -0.091
  884    HA   LYS 109           HA       LYS 109  -5.437  -7.956  -0.210
  885   1HB   LYS 109          2HB       LYS 109  -6.195 -10.703  -0.580
  886   2HB   LYS 109          1HB       LYS 109  -7.044 -10.043   0.810
  887   1HG   LYS 109          2HG       LYS 109  -8.338  -8.718  -0.450
  888   2HG   LYS 109          1HG       LYS 109  -7.019  -8.300  -1.546
  889   1HD   LYS 109          2HD       LYS 109  -8.342  -9.528  -2.957
  890   2HD   LYS 109          1HD       LYS 109  -7.314 -10.808  -2.308
  891   1HE   LYS 109          2HE       LYS 109  -9.530 -11.626  -2.208
  892   2HE   LYS 109          1HE       LYS 109  -9.095 -11.180  -0.558
  893   1HZ   LYS 109          1HZ       LYS 109 -10.185  -8.911  -1.407
  894   2HZ   LYS 109          2HZ       LYS 109 -11.069 -10.135  -0.648
  895   3HZ   LYS 109          3HZ       LYS 109 -11.074 -10.012  -2.334
  896    H    ILE 110           H        ILE 110  -6.254  -7.090   1.666
  897    HA   ILE 110           HA       ILE 110  -4.723  -7.467   4.024
  898    HB   ILE 110           HB       ILE 110  -5.731  -5.307   3.395
  899   1HG1  ILE 110          2HG1      ILE 110  -6.783  -4.826   5.697
  900   2HG1  ILE 110          1HG1      ILE 110  -6.450  -6.516   6.060
  901   1HG2  ILE 110          1HG2      ILE 110  -8.290  -5.277   4.239
  902   2HG2  ILE 110          2HG2      ILE 110  -8.199  -6.904   3.565
  903   3HG2  ILE 110          3HG2      ILE 110  -7.811  -5.510   2.558
  904   1HD1  ILE 110          1HD1      ILE 110  -4.034  -5.907   5.307
  905   2HD1  ILE 110          2HD1      ILE 110  -4.599  -5.474   6.919
  906   3HD1  ILE 110          3HD1      ILE 110  -4.556  -4.258   5.644
  907    H    THR 111           H        THR 111  -7.814  -8.694   2.933
  908    HA   THR 111           HA       THR 111  -8.916  -9.494   5.368
  909    HB   THR 111           HB       THR 111 -10.102  -9.516   3.162
  910    HG1  THR 111           1HG      THR 111 -11.406 -10.656   4.368
  911   1HG2  THR 111          1HG2      THR 111  -9.178 -10.666   1.486
  912   2HG2  THR 111          2HG2      THR 111  -9.668 -12.140   2.321
  913   3HG2  THR 111          3HG2      THR 111  -8.055 -11.474   2.581
  914    H    ASP 112           H        ASP 112  -6.259 -10.787   3.599
  915    HA   ASP 112           HA       ASP 112  -6.342 -13.387   4.846
  916   1HB   ASP 112          2HB       ASP 112  -4.648 -12.021   2.840
  917   2HB   ASP 112          1HB       ASP 112  -3.847 -13.251   3.814
  918    H    PHE 113           H        PHE 113  -4.912 -10.292   5.487
  919    HA   PHE 113           HA       PHE 113  -3.681 -11.413   7.909
  920   1HB   PHE 113          2HB       PHE 113  -2.310  -9.101   6.648
  921   2HB   PHE 113          1HB       PHE 113  -1.638 -10.456   7.549
  922    HD1  PHE 113           1HD      PHE 113  -1.316 -12.645   6.415
  923    HD2  PHE 113           2HD      PHE 113  -2.434  -9.130   4.293
  924    HE1  PHE 113           1HE      PHE 113  -0.621 -13.703   4.304
  925    HE2  PHE 113           2HE      PHE 113  -1.742 -10.180   2.178
  926    HZ   PHE 113           HZ       PHE 113  -0.835 -12.470   2.183
  927    H    SER 114           H        SER 114  -5.987 -10.540   8.442
  928    HA   SER 114           HA       SER 114  -5.614  -8.175   9.979
  929   1HB   SER 114          2HB       SER 114  -6.451  -6.589   8.642
  930   2HB   SER 114          1HB       SER 114  -6.542  -7.771   7.338
  931    HG   SER 114           HG       SER 114  -8.539  -6.980   9.160
  932    HA   PRO 115           HA       PRO 115  -8.635 -10.806  12.026
  933   1HB   PRO 115          2HB       PRO 115  -8.238  -9.045  14.323
  934   2HB   PRO 115          1HB       PRO 115  -7.852 -10.758  14.153
  935   1HG   PRO 115          2HG       PRO 115  -5.944  -8.844  14.305
  936   2HG   PRO 115          1HG       PRO 115  -5.729 -10.340  13.378
  937   1HD   PRO 115          2HD       PRO 115  -6.439  -7.593  12.409
  938   2HD   PRO 115          1HD       PRO 115  -5.321  -8.783  11.705
  939    H    SER 116           H        SER 116  -9.074  -7.932  13.913
  940    HA   SER 116           HA       SER 116 -11.809  -7.713  12.936
  941   1HB   SER 116          2HB       SER 116 -11.735  -5.878  14.883
  942   2HB   SER 116          1HB       SER 116 -11.940  -7.596  15.225
  943    HG   SER 116           HG       SER 116 -10.177  -6.214  16.317
  944    H    LEU 117           H        LEU 117  -9.306  -6.771  11.506
  945    HA   LEU 117           HA       LEU 117  -9.779  -3.897  11.332
  946   1HB   LEU 117          2HB       LEU 117  -7.475  -5.222  11.343
  947   2HB   LEU 117          1HB       LEU 117  -7.789  -5.299   9.620
  948    HG   LEU 117           HG       LEU 117  -8.174  -2.677   9.985
  949   1HD1  LEU 117          1HD1      LEU 117  -6.595  -3.619  12.310
  950   2HD1  LEU 117          2HD1      LEU 117  -7.715  -2.264  12.173
  951   3HD1  LEU 117          3HD1      LEU 117  -6.082  -2.128  11.518
  952   1HD2  LEU 117          1HD2      LEU 117  -5.941  -2.343   9.149
  953   2HD2  LEU 117          2HD2      LEU 117  -6.624  -3.791   8.411
  954   3HD2  LEU 117          3HD2      LEU 117  -5.449  -3.938   9.718
  955    H    ASN 118           H        ASN 118 -11.846  -5.631  10.403
  956    HA   ASN 118           HA       ASN 118 -11.712  -5.867   7.559
  957   1HB   ASN 118          2HB       ASN 118 -13.285  -6.986   9.497
  958   2HB   ASN 118          1HB       ASN 118 -14.391  -5.824   8.772
  959   1HD2  ASN 118          1HD2      ASN 118 -13.474  -5.890   6.148
  960   2HD2  ASN 118          2HD2      ASN 118 -13.834  -7.440   5.475
  961    H    TYR 119           H        TYR 119 -12.187  -4.438   6.043
  962    HA   TYR 119           HA       TYR 119 -13.953  -2.186   6.604
  963   1HB   TYR 119          2HB       TYR 119 -12.362  -0.552   5.670
  964   2HB   TYR 119          1HB       TYR 119 -11.732  -1.301   7.134
  965    HD1  TYR 119           1HD      TYR 119 -11.170  -0.685   3.625
  966    HD2  TYR 119           2HD      TYR 119 -10.019  -3.129   6.913
  967    HE1  TYR 119           1HE      TYR 119  -9.119  -1.332   2.416
  968    HE2  TYR 119           2HE      TYR 119  -7.974  -3.781   5.718
  969    HH   TYR 119           HH       TYR 119  -6.529  -2.850   3.912
  970    H    ASP 120           H        ASP 120 -13.923  -0.798   4.375
  971    HA   ASP 120           HA       ASP 120 -14.707  -2.727   2.350
  972   1HB   ASP 120          2HB       ASP 120 -15.042   0.263   2.283
  973   2HB   ASP 120          1HB       ASP 120 -15.859  -0.920   1.265
  974    H    GLU 121           H        GLU 121 -13.295   0.411   2.048
  975    HA   GLU 121           HA       GLU 121 -10.985  -0.633   0.616
  976   1HB   GLU 121          2HB       GLU 121 -13.053   1.189  -0.598
  977   2HB   GLU 121          1HB       GLU 121 -11.398   1.150  -1.191
  978   1HG   GLU 121          2HG       GLU 121 -11.966  -0.534  -2.501
  979   2HG   GLU 121          1HG       GLU 121 -12.215  -1.520  -1.060
  980    H    VAL 122           H        VAL 122  -9.526   0.173   2.042
  981    HA   VAL 122           HA       VAL 122  -8.128   1.696   2.999
  982    HB   VAL 122           HB       VAL 122  -9.631   3.593   1.199
  983   1HG1  VAL 122          1HG1      VAL 122  -8.055   5.335   1.765
  984   2HG1  VAL 122          2HG1      VAL 122  -7.246   4.271   2.915
  985   3HG1  VAL 122          3HG1      VAL 122  -8.899   4.806   3.219
  986   1HG2  VAL 122          1HG2      VAL 122  -7.278   3.703   0.182
  987   2HG2  VAL 122          2HG2      VAL 122  -8.230   2.241  -0.084
  988   3HG2  VAL 122          3HG2      VAL 122  -6.953   2.252   1.131
  989    HA   PRO 123           HA       PRO 123 -10.414   2.777   6.635
  990   1HB   PRO 123          2HB       PRO 123  -8.574   4.425   7.827
  991   2HB   PRO 123          1HB       PRO 123  -8.476   2.663   7.841
  992   1HG   PRO 123          2HG       PRO 123  -7.086   4.620   6.052
  993   2HG   PRO 123          1HG       PRO 123  -6.431   3.182   6.858
  994   1HD   PRO 123          2HD       PRO 123  -7.100   3.144   4.264
  995   2HD   PRO 123          1HD       PRO 123  -7.373   1.734   5.308
  996    H    ASP 124           H        ASP 124  -9.375   5.535   7.704
  997    HA   ASP 124           HA       ASP 124 -10.069   7.693   7.729
  998   1HB   ASP 124          2HB       ASP 124  -9.558   8.631   5.766
  999   2HB   ASP 124          1HB       ASP 124  -9.726   7.078   4.954
 1000    HA   PRO 125           HA       PRO 125 -14.345   7.520   8.688
 1001   1HB   PRO 125          2HB       PRO 125 -15.108  10.126   8.441
 1002   2HB   PRO 125          1HB       PRO 125 -14.154   9.510   9.794
 1003   1HG   PRO 125          2HG       PRO 125 -13.248  10.965   7.343
 1004   2HG   PRO 125          1HG       PRO 125 -12.723  11.168   9.025
 1005   1HD   PRO 125          2HD       PRO 125 -11.273   9.785   7.213
 1006   2HD   PRO 125          1HD       PRO 125 -11.305   9.351   8.934
 1007    H    TRP 126           H        TRP 126 -13.447   9.054   5.668
 1008    HA   TRP 126           HA       TRP 126 -16.028   9.278   4.562
 1009   1HB   TRP 126          2HB       TRP 126 -14.034  10.450   3.676
 1010   2HB   TRP 126          1HB       TRP 126 -13.401   8.910   3.107
 1011    HD1  TRP 126           HD       TRP 126 -13.574   9.041   0.552
 1012    HE1  TRP 126           1HE      TRP 126 -15.438   9.578  -1.138
 1013    HE3  TRP 126           3HE      TRP 126 -17.229  10.523   3.809
 1014    HZ2  TRP 126           2HZ      TRP 126 -18.102  10.509  -1.100
 1015    HZ3  TRP 126           3HZ      TRP 126 -19.404  11.223   2.900
 1016    HH2  TRP 126           HH       TRP 126 -19.830  11.216   0.496
 1017    H    TYR 127           H        TYR 127 -13.988   6.556   5.068
 1018    HA   TYR 127           HA       TYR 127 -15.696   4.930   3.301
 1019   1HB   TYR 127          2HB       TYR 127 -12.917   4.280   4.309
 1020   2HB   TYR 127          1HB       TYR 127 -13.876   3.300   3.207
 1021    HD1  TYR 127           1HD      TYR 127 -11.034   4.744   2.972
 1022    HD2  TYR 127           2HD      TYR 127 -14.931   5.517   1.445
 1023    HE1  TYR 127           1HE      TYR 127 -10.045   5.948   1.068
 1024    HE2  TYR 127           2HE      TYR 127 -13.951   6.714  -0.467
 1025    HH   TYR 127           HH       TYR 127 -11.805   6.777  -1.696
 1026    H    SER 128           H        SER 128 -13.999   4.886   6.427
 1027    HA   SER 128           HA       SER 128 -15.669   2.675   7.329
 1028   1HB   SER 128          2HB       SER 128 -13.658   4.006   9.100
 1029   2HB   SER 128          1HB       SER 128 -14.113   2.305   9.001
 1030    HG   SER 128           HG       SER 128 -13.012   2.223   6.987
 1031    H    GLY 129           H        GLY 129 -14.748   5.900   8.592
 1032   1HA   GLY 129          2HA       GLY 129 -17.009   7.157   9.045
 1033   2HA   GLY 129          1HA       GLY 129 -17.172   5.878  10.237
 1034    H    ASN 130           H        ASN 130 -14.018   6.212  10.317
 1035    HA   ASN 130           HA       ASN 130 -13.990   8.607  12.020
 1036   1HB   ASN 130          2HB       ASN 130 -14.158   6.228  13.196
 1037   2HB   ASN 130          1HB       ASN 130 -12.422   6.231  12.908
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.315   8.299  13.587
 1039   2HD2  ASN 130          2HD2      ASN 130 -11.796   8.969  15.104
 1040    H    PHE 131           H        PHE 131 -11.876   9.519  12.368
 1041    HA   PHE 131           HA       PHE 131 -10.205   9.273  10.023
 1042   1HB   PHE 131          2HB       PHE 131  -9.047  10.962  12.046
 1043   2HB   PHE 131          1HB       PHE 131  -9.679  11.404  10.465
 1044    HD1  PHE 131           1HD      PHE 131 -12.036  12.071  10.218
 1045    HD2  PHE 131           2HD      PHE 131 -10.302  11.319  14.031
 1046    HE1  PHE 131           1HE      PHE 131 -13.905  13.255  11.297
 1047    HE2  PHE 131           2HE      PHE 131 -12.167  12.499  15.117
 1048    HZ   PHE 131           HZ       PHE 131 -13.972  13.469  13.750
 1049    H    ASP 132           H        ASP 132 -10.015   8.539  13.449
 1050    HA   ASP 132           HA       ASP 132  -7.317   7.930  13.690
 1051   1HB   ASP 132          2HB       ASP 132  -8.668   8.051  15.660
 1052   2HB   ASP 132          1HB       ASP 132  -9.737   6.777  15.085
 1053    H    GLU 133           H        GLU 133  -9.812   6.236  12.020
 1054    HA   GLU 133           HA       GLU 133  -8.903   3.611  12.088
 1055   1HB   GLU 133          2HB       GLU 133 -10.080   4.962   9.658
 1056   2HB   GLU 133          1HB       GLU 133 -10.125   3.248  10.046
 1057   1HG   GLU 133          2HG       GLU 133 -11.314   5.020  12.061
 1058   2HG   GLU 133          1HG       GLU 133 -12.136   4.976  10.501
 1059    H    THR 134           H        THR 134  -7.954   6.269   9.933
 1060    HA   THR 134           HA       THR 134  -6.324   4.942   8.169
 1061    HB   THR 134           HB       THR 134  -4.937   7.029   8.066
 1062    HG1  THR 134           1HG      THR 134  -5.140   7.680  10.249
 1063   1HG2  THR 134          1HG2      THR 134  -6.749   7.020   6.595
 1064   2HG2  THR 134          2HG2      THR 134  -6.958   8.525   7.490
 1065   3HG2  THR 134          3HG2      THR 134  -7.931   7.113   7.902
 1066    H    TYR 135           H        TYR 135  -5.672   5.810  11.507
 1067    HA   TYR 135           HA       TYR 135  -2.905   5.090  11.425
 1068   1HB   TYR 135          2HB       TYR 135  -4.208   6.632  13.105
 1069   2HB   TYR 135          1HB       TYR 135  -4.473   5.122  13.971
 1070    HD1  TYR 135           1HD      TYR 135  -3.041   4.875  15.756
 1071    HD2  TYR 135           2HD      TYR 135  -1.562   6.670  12.192
 1072    HE1  TYR 135           1HE      TYR 135  -0.817   5.077  16.786
 1073    HE2  TYR 135           2HE      TYR 135   0.665   6.875  13.214
 1074    HH   TYR 135           HH       TYR 135   1.211   6.416  16.540
 1075    H    LYS 136           H        LYS 136  -5.709   3.575  13.040
 1076    HA   LYS 136           HA       LYS 136  -4.432   1.262  13.875
 1077   1HB   LYS 136          2HB       LYS 136  -6.834   2.154  14.335
 1078   2HB   LYS 136          1HB       LYS 136  -7.279   1.180  12.941
 1079   1HG   LYS 136          2HG       LYS 136  -7.666  -0.069  14.958
 1080   2HG   LYS 136          1HG       LYS 136  -6.340  -0.804  14.056
 1081   1HD   LYS 136          2HD       LYS 136  -5.137  -0.700  15.930
 1082   2HD   LYS 136          1HD       LYS 136  -5.113   1.053  15.728
 1083   1HE   LYS 136          2HE       LYS 136  -6.309   1.289  17.582
 1084   2HE   LYS 136          1HE       LYS 136  -7.609   0.333  16.871
 1085   1HZ   LYS 136          1HZ       LYS 136  -7.138  -1.329  18.235
 1086   2HZ   LYS 136          2HZ       LYS 136  -5.998  -0.353  19.012
 1087   3HZ   LYS 136          3HZ       LYS 136  -5.521  -1.361  17.742
 1088    H    ILE 137           H        ILE 137  -6.296   1.716  10.878
 1089    HA   ILE 137           HA       ILE 137  -5.846  -0.866   9.866
 1090    HB   ILE 137           HB       ILE 137  -6.318   1.530   8.122
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.831   1.566  10.135
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.663   1.448   8.590
 1093   1HG2  ILE 137          1HG2      ILE 137  -5.900  -0.718   7.117
 1094   2HG2  ILE 137          2HG2      ILE 137  -7.456  -0.004   6.694
 1095   3HG2  ILE 137          3HG2      ILE 137  -7.373  -1.281   7.907
 1096   1HD1  ILE 137          1HD1      ILE 137  -8.831  -1.017   8.979
 1097   2HD1  ILE 137          2HD1      ILE 137  -9.746  -0.008  10.102
 1098   3HD1  ILE 137          3HD1      ILE 137  -8.217  -0.729  10.608
 1099    H    LEU 138           H        LEU 138  -4.233   2.226   8.997
 1100    HA   LEU 138           HA       LEU 138  -2.447   1.034   7.170
 1101   1HB   LEU 138          2HB       LEU 138  -3.082   3.565   7.701
 1102   2HB   LEU 138          1HB       LEU 138  -1.586   3.474   8.611
 1103    HG   LEU 138           HG       LEU 138  -1.096   2.337   6.058
 1104   1HD1  LEU 138          1HD1      LEU 138  -1.527   4.683   4.896
 1105   2HD1  LEU 138          2HD1      LEU 138  -2.869   4.709   6.040
 1106   3HD1  LEU 138          3HD1      LEU 138  -2.724   3.388   4.880
 1107   1HD2  LEU 138          1HD2      LEU 138   0.307   3.732   7.795
 1108   2HD2  LEU 138          2HD2      LEU 138  -0.213   5.085   6.788
 1109   3HD2  LEU 138          3HD2      LEU 138   0.701   3.754   6.076
 1110    H    SER 139           H        SER 139  -1.906   2.051  10.546
 1111    HA   SER 139           HA       SER 139   0.756   1.334  10.753
 1112   1HB   SER 139          2HB       SER 139  -0.876   2.474  12.476
 1113   2HB   SER 139          1HB       SER 139  -1.081   0.822  13.067
 1114    HG   SER 139           HG       SER 139   0.709   2.265  13.935
 1115    H    LEU 140           H        LEU 140  -2.059  -0.678  11.629
 1116    HA   LEU 140           HA       LEU 140  -0.614  -3.002  12.229
 1117   1HB   LEU 140          2HB       LEU 140  -3.292  -2.217  12.204
 1118   2HB   LEU 140          1HB       LEU 140  -3.214  -3.574  11.096
 1119    HG   LEU 140           HG       LEU 140  -1.876  -4.683  13.100
 1120   1HD1  LEU 140          1HD1      LEU 140  -2.012  -2.550  14.420
 1121   2HD1  LEU 140          2HD1      LEU 140  -2.603  -3.990  15.249
 1122   3HD1  LEU 140          3HD1      LEU 140  -3.747  -2.835  14.563
 1123   1HD2  LEU 140          1HD2      LEU 140  -4.425  -4.881  12.039
 1124   2HD2  LEU 140          2HD2      LEU 140  -4.693  -4.718  13.774
 1125   3HD2  LEU 140          3HD2      LEU 140  -3.663  -6.010  13.161
 1126    H    ALA 141           H        ALA 141  -2.408  -2.216   9.244
 1127    HA   ALA 141           HA       ALA 141  -1.731  -4.474   7.786
 1128   1HB   ALA 141          1HB       ALA 141  -3.404  -2.641   7.212
 1129   2HB   ALA 141          2HB       ALA 141  -2.498  -3.355   5.878
 1130   3HB   ALA 141          3HB       ALA 141  -2.037  -1.774   6.511
 1131    H    CYS 142           H        CYS 142   0.003  -1.385   7.991
 1132    HA   CYS 142           HA       CYS 142   1.988  -1.924   6.101
 1133   1HB   CYS 142          2HB       CYS 142   1.549   0.312   7.107
 1134   2HB   CYS 142          1HB       CYS 142   2.276  -0.254   8.608
 1135    HG   CYS 142           HG       CYS 142   4.395  -0.830   6.189
 1136    H    LYS 143           H        LYS 143   1.735  -2.784   9.507
 1137    HA   LYS 143           HA       LYS 143   4.404  -3.670   9.837
 1138   1HB   LYS 143          2HB       LYS 143   2.725  -3.153  11.666
 1139   2HB   LYS 143          1HB       LYS 143   1.991  -4.713  11.321
 1140   1HG   LYS 143          2HG       LYS 143   4.167  -5.790  11.827
 1141   2HG   LYS 143          1HG       LYS 143   4.791  -4.209  12.304
 1142   1HD   LYS 143          2HD       LYS 143   2.283  -4.709  13.610
 1143   2HD   LYS 143          1HD       LYS 143   3.389  -6.056  13.891
 1144   1HE   LYS 143          2HE       LYS 143   4.471  -4.849  15.406
 1145   2HE   LYS 143          1HE       LYS 143   4.867  -3.657  14.168
 1146   1HZ   LYS 143          1HZ       LYS 143   3.706  -2.342  15.575
 1147   2HZ   LYS 143          2HZ       LYS 143   2.767  -3.606  16.191
 1148   3HZ   LYS 143          3HZ       LYS 143   2.391  -2.931  14.687
 1149    H    ASN 144           H        ASN 144   1.444  -5.656   9.585
 1150    HA   ASN 144           HA       ASN 144   2.726  -8.093   9.204
 1151   1HB   ASN 144          2HB       ASN 144   0.640  -8.978   8.808
 1152   2HB   ASN 144          1HB       ASN 144   0.179  -7.457   9.565
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.047  -6.062   8.463
 1154   2HD2  ASN 144          2HD2      ASN 144  -1.527  -6.256   6.815
 1155    H    LEU 145           H        LEU 145   1.751  -5.650   6.862
 1156    HA   LEU 145           HA       LEU 145   2.323  -7.110   4.528
 1157   1HB   LEU 145          2HB       LEU 145   1.819  -4.302   5.227
 1158   2HB   LEU 145          1HB       LEU 145   2.843  -4.516   3.821
 1159    HG   LEU 145           HG       LEU 145   0.467  -4.251   3.230
 1160   1HD1  LEU 145          1HD1      LEU 145   1.977  -6.725   2.566
 1161   2HD1  LEU 145          2HD1      LEU 145   1.543  -5.356   1.543
 1162   3HD1  LEU 145          3HD1      LEU 145   0.324  -6.554   1.979
 1163   1HD2  LEU 145          1HD2      LEU 145  -1.071  -5.207   4.518
 1164   2HD2  LEU 145          2HD2      LEU 145   0.135  -6.228   5.303
 1165   3HD2  LEU 145          3HD2      LEU 145  -0.619  -6.753   3.798
 1166    H    LEU 146           H        LEU 146   4.292  -4.794   6.379
 1167    HA   LEU 146           HA       LEU 146   6.568  -4.752   4.830
 1168   1HB   LEU 146          2HB       LEU 146   6.388  -3.292   6.702
 1169   2HB   LEU 146          1HB       LEU 146   6.228  -4.632   7.820
 1170    HG   LEU 146           HG       LEU 146   8.687  -5.126   6.727
 1171   1HD1  LEU 146          1HD1      LEU 146   8.876  -3.131   5.485
 1172   2HD1  LEU 146          2HD1      LEU 146   9.848  -2.888   6.936
 1173   3HD1  LEU 146          3HD1      LEU 146   8.249  -2.154   6.812
 1174   1HD2  LEU 146          1HD2      LEU 146   8.325  -3.330   9.106
 1175   2HD2  LEU 146          2HD2      LEU 146   9.536  -4.585   8.842
 1176   3HD2  LEU 146          3HD2      LEU 146   7.857  -5.030   9.144
 1177    H    VAL 147           H        VAL 147   5.575  -7.150   7.218
 1178    HA   VAL 147           HA       VAL 147   7.960  -8.663   7.206
 1179    HB   VAL 147           HB       VAL 147   5.134  -9.530   7.830
 1180   1HG1  VAL 147          1HG1      VAL 147   6.891 -11.330   7.256
 1181   2HG1  VAL 147          2HG1      VAL 147   5.949 -11.507   8.737
 1182   3HG1  VAL 147          3HG1      VAL 147   7.606 -10.906   8.811
 1183   1HG2  VAL 147          1HG2      VAL 147   6.445  -9.409  10.198
 1184   2HG2  VAL 147          2HG2      VAL 147   5.460  -8.103   9.539
 1185   3HG2  VAL 147          3HG2      VAL 147   7.211  -8.083   9.322
 1186    H    PHE 148           H        PHE 148   4.878  -9.177   5.481
 1187    HA   PHE 148           HA       PHE 148   5.718 -11.459   4.059
 1188   1HB   PHE 148          2HB       PHE 148   3.345 -10.086   4.381
 1189   2HB   PHE 148          1HB       PHE 148   3.715  -9.848   2.676
 1190    HD1  PHE 148           1HD      PHE 148   3.742 -11.705   1.136
 1191    HD2  PHE 148           2HD      PHE 148   2.885 -12.292   5.264
 1192    HE1  PHE 148           1HE      PHE 148   2.882 -13.956   0.635
 1193    HE2  PHE 148           2HE      PHE 148   2.024 -14.542   4.770
 1194    HZ   PHE 148           HZ       PHE 148   2.022 -15.378   2.452
 1195    H    LEU 149           H        LEU 149   5.394  -8.091   2.936
 1196    HA   LEU 149           HA       LEU 149   6.330  -8.453   0.352
 1197   1HB   LEU 149          2HB       LEU 149   6.824  -5.983   2.006
 1198   2HB   LEU 149          1HB       LEU 149   6.676  -6.084   0.261
 1199    HG   LEU 149           HG       LEU 149   4.337  -6.951   1.876
 1200   1HD1  LEU 149          1HD1      LEU 149   4.736  -4.039   1.318
 1201   2HD1  LEU 149          2HD1      LEU 149   5.316  -4.755   2.821
 1202   3HD1  LEU 149          3HD1      LEU 149   3.600  -4.820   2.416
 1203   1HD2  LEU 149          1HD2      LEU 149   3.574  -7.023  -0.215
 1204   2HD2  LEU 149          2HD2      LEU 149   4.970  -6.140  -0.831
 1205   3HD2  LEU 149          3HD2      LEU 149   3.587  -5.260  -0.184
 1206    H    SER 150           H        SER 150   8.134  -7.986   3.344
 1207    HA   SER 150           HA       SER 150  10.660  -7.845   1.915
 1208   1HB   SER 150          2HB       SER 150   9.858  -6.763   4.275
 1209   2HB   SER 150          1HB       SER 150  10.705  -8.199   4.848
 1210    HG   SER 150           HG       SER 150  12.290  -7.251   3.067
 1211    H    LYS 151           H        LYS 151   8.615 -10.266   2.902
 1212    HA   LYS 151           HA       LYS 151   8.792 -12.518   3.153
 1213   1HB   LYS 151          2HB       LYS 151   9.855 -12.313   0.938
 1214   2HB   LYS 151          1HB       LYS 151  11.419 -12.105   1.713
 1215   1HG   LYS 151          2HG       LYS 151  10.877 -14.404   2.806
 1216   2HG   LYS 151          1HG       LYS 151   9.737 -14.555   1.467
 1217   1HD   LYS 151          2HD       LYS 151  11.373 -14.947  -0.007
 1218   2HD   LYS 151          1HD       LYS 151  12.352 -13.613   0.608
 1219   1HE   LYS 151          2HE       LYS 151  12.363 -15.669   2.559
 1220   2HE   LYS 151          1HE       LYS 151  12.698 -16.413   0.996
 1221   1HZ   LYS 151          1HZ       LYS 151  14.723 -15.675   2.103
 1222   2HZ   LYS 151          2HZ       LYS 151  14.150 -14.084   2.132
 1223   3HZ   LYS 151          3HZ       LYS 151  14.484 -14.835   0.654
 1224    H    HIS 152           H        HIS 152   8.948 -12.320   5.441
 1225    HA   HIS 152           HA       HIS 152  11.377 -12.039   6.838
 1226   1HB   HIS 152          2HB       HIS 152   8.977 -11.811   7.724
 1227   2HB   HIS 152          1HB       HIS 152   9.004 -13.562   7.894
 1228    HD1  HIS 152           1HD      HIS 152  12.003 -13.712   8.906
 1229    HD2  HIS 152           2HD      HIS 152   9.025 -11.245  10.425
 1230    HE1  HIS 152           1HE      HIS 152  12.717 -13.165  11.254
 1231    HE2  HIS 152           2HE      HIS 152  10.848 -11.757  12.189
 1232    H    HIS 153           H        HIS 153   9.412 -15.003   6.520
 1233    HA   HIS 153           HA       HIS 153   9.966 -17.204   6.455
 1234   1HB   HIS 153          2HB       HIS 153  11.360 -16.192   4.480
 1235   2HB   HIS 153          1HB       HIS 153  12.735 -16.522   5.529
 1236    HD1  HIS 153           1HD      HIS 153  10.947 -18.019   2.882
 1237    HD2  HIS 153           2HD      HIS 153  12.527 -19.436   6.454
 1238    HE1  HIS 153           1HE      HIS 153  11.170 -20.506   2.579
 1239    HE2  HIS 153           2HE      HIS 153  12.051 -21.351   4.783
 1240    H    HIS 154           H        HIS 154  13.342 -16.437   6.942
 1241    HA   HIS 154           HA       HIS 154  14.787 -16.801   8.653
 1242   1HB   HIS 154          2HB       HIS 154  12.783 -15.384   9.789
 1243   2HB   HIS 154          1HB       HIS 154  12.721 -16.847  10.767
 1244    HD1  HIS 154           1HD      HIS 154  15.165 -17.530  11.833
 1245    HD2  HIS 154           2HD      HIS 154  14.629 -13.588  10.630
 1246    HE1  HIS 154           1HE      HIS 154  16.964 -16.218  13.004
 1247    HE2  HIS 154           2HE      HIS 154  16.651 -13.844  12.222
 1248    H    HIS 155           H        HIS 155  15.721 -18.550   9.551
 1249    HA   HIS 155           HA       HIS 155  16.079 -20.702  10.173
 1250   1HB   HIS 155          2HB       HIS 155  13.139 -20.690  10.885
 1251   2HB   HIS 155          1HB       HIS 155  14.317 -21.893  11.399
 1252    HD1  HIS 155           1HD      HIS 155  12.679 -18.984  12.599
 1253    HD2  HIS 155           2HD      HIS 155  16.535 -20.492  12.933
 1254    HE1  HIS 155           1HE      HIS 155  13.679 -17.834  14.599
 1255    HE2  HIS 155           2HE      HIS 155  16.044 -18.692  14.724
 1256    H    HIS 156           H        HIS 156  16.353 -22.476   8.984
 1257    HA   HIS 156           HA       HIS 156  14.334 -23.089   6.926
 1258   1HB   HIS 156          2HB       HIS 156  16.673 -24.170   5.954
 1259   2HB   HIS 156          1HB       HIS 156  15.968 -22.641   5.444
 1260    HD1  HIS 156           1HD      HIS 156  17.493 -20.705   5.600
 1261    HD2  HIS 156           2HD      HIS 156  18.573 -23.735   8.230
 1262    HE1  HIS 156           1HE      HIS 156  19.615 -19.919   6.694
 1263    HE2  HIS 156           2HE      HIS 156  20.301 -21.811   8.211
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  16.723 -10.350  -7.711
    2   2H    MET   1          2HT       MET   1  17.057  -9.134  -6.585
    3   3H    MET   1          3HT       MET   1  17.831  -9.127  -8.089
    4    HA   MET   1           HA       MET   1  16.107  -7.473  -8.071
    5   1HB   MET   1          2HB       MET   1  16.251  -9.753  -9.854
    6   2HB   MET   1          1HB       MET   1  14.630  -9.072  -9.834
    7   1HG   MET   1          2HG       MET   1  15.486  -6.902 -10.434
    8   2HG   MET   1          1HG       MET   1  17.143  -7.497 -10.337
    9   1HE   MET   1          1HE       MET   1  15.637  -6.763 -14.124
   10   2HE   MET   1          2HE       MET   1  16.977  -6.213 -13.119
   11   3HE   MET   1          3HE       MET   1  15.315  -6.000 -12.567
   12    H    LYS   2           H        LYS   2  14.495  -6.856  -6.795
   13    HA   LYS   2           HA       LYS   2  12.165  -8.568  -6.494
   14   1HB   LYS   2          2HB       LYS   2  14.119  -8.165  -4.389
   15   2HB   LYS   2          1HB       LYS   2  12.529  -7.592  -3.905
   16   1HG   LYS   2          2HG       LYS   2  12.180  -9.713  -3.303
   17   2HG   LYS   2          1HG       LYS   2  11.916  -9.990  -5.026
   18   1HD   LYS   2          2HD       LYS   2  14.105 -10.802  -5.336
   19   2HD   LYS   2          1HD       LYS   2  14.643 -10.174  -3.776
   20   1HE   LYS   2          2HE       LYS   2  12.617 -12.375  -4.156
   21   2HE   LYS   2          1HE       LYS   2  14.319 -12.624  -3.772
   22   1HZ   LYS   2          1HZ       LYS   2  12.157 -11.629  -2.075
   23   2HZ   LYS   2          2HZ       LYS   2  13.705 -10.999  -1.815
   24   3HZ   LYS   2          3HZ       LYS   2  13.439 -12.665  -1.694
   25    H    LYS   3           H        LYS   3  10.523  -7.329  -7.047
   26    HA   LYS   3           HA       LYS   3  10.446  -4.557  -6.063
   27   1HB   LYS   3          2HB       LYS   3  10.271  -5.557  -8.818
   28   2HB   LYS   3          1HB       LYS   3   8.975  -4.455  -8.376
   29   1HG   LYS   3          2HG       LYS   3  11.678  -3.588  -7.609
   30   2HG   LYS   3          1HG       LYS   3  11.364  -3.675  -9.343
   31   1HD   LYS   3          2HD       LYS   3   9.121  -2.439  -8.552
   32   2HD   LYS   3          1HD       LYS   3  10.221  -1.879  -7.290
   33   1HE   LYS   3          2HE       LYS   3  10.518  -0.251  -8.884
   34   2HE   LYS   3          1HE       LYS   3  11.804  -1.378  -9.311
   35   1HZ   LYS   3          1HZ       LYS   3  10.924  -1.390 -11.334
   36   2HZ   LYS   3          2HZ       LYS   3   9.529  -0.575 -10.830
   37   3HZ   LYS   3          3HZ       LYS   3   9.618  -2.259 -10.700
   38    H    ILE   4           H        ILE   4   8.652  -4.045  -4.986
   39    HA   ILE   4           HA       ILE   4   6.340  -5.863  -5.220
   40    HB   ILE   4           HB       ILE   4   6.337  -4.285  -2.792
   41   1HG1  ILE   4          2HG1      ILE   4   8.816  -4.502  -3.106
   42   2HG1  ILE   4          1HG1      ILE   4   8.208  -5.274  -1.646
   43   1HG2  ILE   4          1HG2      ILE   4   6.135  -6.627  -1.820
   44   2HG2  ILE   4          2HG2      ILE   4   6.171  -7.199  -3.488
   45   3HG2  ILE   4          3HG2      ILE   4   4.885  -6.118  -2.955
   46   1HD1  ILE   4          1HD1      ILE   4   8.162  -7.263  -3.603
   47   2HD1  ILE   4          2HD1      ILE   4   9.296  -7.099  -2.263
   48   3HD1  ILE   4          3HD1      ILE   4   9.684  -6.401  -3.835
   49    H    LEU   5           H        LEU   5   4.684  -4.951  -6.234
   50    HA   LEU   5           HA       LEU   5   4.393  -2.040  -6.157
   51   1HB   LEU   5          2HB       LEU   5   4.082  -3.950  -8.193
   52   2HB   LEU   5          1HB       LEU   5   2.471  -3.357  -7.839
   53    HG   LEU   5           HG       LEU   5   4.826  -1.598  -8.524
   54   1HD1  LEU   5          1HD1      LEU   5   2.981  -3.103 -10.187
   55   2HD1  LEU   5          2HD1      LEU   5   4.473  -2.267 -10.617
   56   3HD1  LEU   5          3HD1      LEU   5   2.956  -1.373 -10.530
   57   1HD2  LEU   5          1HD2      LEU   5   1.892  -0.923  -8.377
   58   2HD2  LEU   5          2HD2      LEU   5   3.234   0.184  -8.663
   59   3HD2  LEU   5          3HD2      LEU   5   3.051  -0.591  -7.090
   60    H    PHE   6           H        PHE   6   3.138  -1.301  -4.564
   61    HA   PHE   6           HA       PHE   6   0.894  -2.911  -3.619
   62   1HB   PHE   6          2HB       PHE   6   1.701  -0.233  -2.501
   63   2HB   PHE   6          1HB       PHE   6   0.829  -1.534  -1.703
   64    HD1  PHE   6           1HD      PHE   6   4.066  -0.164  -2.539
   65    HD2  PHE   6           2HD      PHE   6   2.057  -3.554  -0.926
   66    HE1  PHE   6           1HE      PHE   6   6.178  -0.944  -1.552
   67    HE2  PHE   6           2HE      PHE   6   4.166  -4.338   0.061
   68    HZ   PHE   6           HZ       PHE   6   6.231  -3.035  -0.252
   69    H    ILE   7           H        ILE   7  -1.029  -2.639  -4.516
   70    HA   ILE   7           HA       ILE   7  -1.632  -0.101  -5.863
   71    HB   ILE   7           HB       ILE   7  -3.201  -2.663  -6.094
   72   1HG1  ILE   7          2HG1      ILE   7  -1.691  -2.273  -8.433
   73   2HG1  ILE   7          1HG1      ILE   7  -0.562  -2.054  -7.099
   74   1HG2  ILE   7          1HG2      ILE   7  -4.560  -1.444  -7.351
   75   2HG2  ILE   7          2HG2      ILE   7  -3.222  -1.082  -8.442
   76   3HG2  ILE   7          3HG2      ILE   7  -3.556  -0.019  -7.073
   77   1HD1  ILE   7          1HD1      ILE   7  -2.339  -4.393  -6.910
   78   2HD1  ILE   7          2HD1      ILE   7  -0.628  -4.225  -6.519
   79   3HD1  ILE   7          3HD1      ILE   7  -1.133  -4.429  -8.196
   80    H    CYS   8           H        CYS   8  -2.965   1.297  -4.938
   81    HA   CYS   8           HA       CYS   8  -5.023   0.292  -3.098
   82   1HB   CYS   8          2HB       CYS   8  -3.069   2.530  -2.650
   83   2HB   CYS   8          1HB       CYS   8  -4.615   2.494  -1.812
   84    HG   CYS   8           HG       CYS   8  -3.210  -0.439  -1.469
   85    H    LEU   9           H        LEU   9  -7.005   1.110  -3.370
   86    HA   LEU   9           HA       LEU   9  -7.503   2.785  -5.645
   87   1HB   LEU   9          2HB       LEU   9  -8.944   0.891  -4.196
   88   2HB   LEU   9          1HB       LEU   9  -9.777   2.402  -3.885
   89    HG   LEU   9           HG       LEU   9  -9.433   2.502  -6.601
   90   1HD1  LEU   9          1HD1      LEU   9 -10.279  -0.320  -6.045
   91   2HD1  LEU   9          2HD1      LEU   9  -8.595   0.091  -6.368
   92   3HD1  LEU   9          3HD1      LEU   9  -9.832   0.424  -7.580
   93   1HD2  LEU   9          1HD2      LEU   9 -11.585   2.946  -6.302
   94   2HD2  LEU   9          2HD2      LEU   9 -11.553   2.192  -4.708
   95   3HD2  LEU   9          3HD2      LEU   9 -11.896   1.218  -6.137
   96    H    GLY  10           H        GLY  10  -6.617   4.804  -5.209
   97   1HA   GLY  10          2HA       GLY  10  -8.012   6.882  -4.409
   98   2HA   GLY  10          1HA       GLY  10  -7.561   6.241  -2.836
   99    H    ASN  11           H        ASN  11  -4.995   5.563  -3.026
  100    HA   ASN  11           HA       ASN  11  -2.912   6.466  -2.828
  101   1HB   ASN  11          2HB       ASN  11  -3.381   6.234  -5.419
  102   2HB   ASN  11          1HB       ASN  11  -3.295   7.993  -5.363
  103   1HD2  ASN  11          1HD2      ASN  11  -1.554   5.088  -5.414
  104   2HD2  ASN  11          2HD2      ASN  11   0.030   5.753  -5.234
  105    H    ILE  12           H        ILE  12  -5.320   8.073  -1.959
  106    HA   ILE  12           HA       ILE  12  -3.876  10.601  -1.575
  107    HB   ILE  12           HB       ILE  12  -5.907  11.892  -1.874
  108   1HG1  ILE  12          2HG1      ILE  12  -7.350   9.500  -2.952
  109   2HG1  ILE  12          1HG1      ILE  12  -7.336   9.785  -1.214
  110   1HG2  ILE  12          1HG2      ILE  12  -5.789  11.994  -4.140
  111   2HG2  ILE  12          2HG2      ILE  12  -5.938  10.248  -4.337
  112   3HG2  ILE  12          3HG2      ILE  12  -4.396  10.952  -3.854
  113   1HD1  ILE  12          1HD1      ILE  12  -7.992  12.194  -2.623
  114   2HD1  ILE  12          2HD1      ILE  12  -8.909  11.321  -1.397
  115   3HD1  ILE  12          3HD1      ILE  12  -9.065  10.877  -3.097
  116    H    CYS  13           H        CYS  13  -4.785   8.024  -0.051
  117    HA   CYS  13           HA       CYS  13  -5.462   9.460   2.395
  118   1HB   CYS  13          2HB       CYS  13  -7.010   7.124   2.511
  119   2HB   CYS  13          1HB       CYS  13  -7.586   8.783   2.383
  120    HG   CYS  13           HG       CYS  13  -8.773   6.927   0.487
  121    H    ARG  14           H        ARG  14  -5.657   5.982   1.805
  122    HA   ARG  14           HA       ARG  14  -3.789   5.494   3.936
  123   1HB   ARG  14          2HB       ARG  14  -4.430   3.257   3.827
  124   2HB   ARG  14          1HB       ARG  14  -5.883   4.117   3.340
  125   1HG   ARG  14          2HG       ARG  14  -5.641   3.502   1.104
  126   2HG   ARG  14          1HG       ARG  14  -3.943   3.071   1.311
  127   1HD   ARG  14          2HD       ARG  14  -6.395   1.539   1.997
  128   2HD   ARG  14          1HD       ARG  14  -4.885   0.987   1.275
  129    HE   ARG  14           HE       ARG  14  -5.463   1.286   4.111
  130   1HH1  ARG  14          1HH1      ARG  14  -3.108   0.659   1.620
  131   2HH1  ARG  14          2HH1      ARG  14  -1.972  -0.077   2.701
  132   1HH2  ARG  14          1HH2      ARG  14  -3.971   0.319   5.541
  133   2HH2  ARG  14          2HH2      ARG  14  -2.462  -0.271   4.927
  134    H    SER  15           H        SER  15  -3.767   5.173   0.418
  135    HA   SER  15           HA       SER  15  -1.369   3.769   0.168
  136   1HB   SER  15          2HB       SER  15  -2.595   3.864  -1.798
  137   2HB   SER  15          1HB       SER  15  -2.881   5.598  -1.655
  138    HG   SER  15           HG       SER  15  -0.317   4.480  -2.107
  139    HA   PRO  16           HA       PRO  16   0.872   8.092  -0.235
  140   1HB   PRO  16          2HB       PRO  16  -0.300  10.076   1.267
  141   2HB   PRO  16          1HB       PRO  16  -0.518   9.893  -0.477
  142   1HG   PRO  16          2HG       PRO  16  -2.301   9.014   1.759
  143   2HG   PRO  16          1HG       PRO  16  -2.731   9.762   0.209
  144   1HD   PRO  16          2HD       PRO  16  -3.007   7.125   0.619
  145   2HD   PRO  16          1HD       PRO  16  -2.505   7.772  -0.959
  146    H    MET  17           H        MET  17  -1.009   7.373   2.672
  147    HA   MET  17           HA       MET  17   0.870   8.181   4.587
  148   1HB   MET  17          2HB       MET  17  -1.665   7.025   4.605
  149   2HB   MET  17          1HB       MET  17  -0.642   5.827   5.387
  150   1HG   MET  17          2HG       MET  17  -0.687   8.718   6.195
  151   2HG   MET  17          1HG       MET  17  -1.749   7.500   6.900
  152   1HE   MET  17          1HE       MET  17  -1.303   7.123   9.127
  153   2HE   MET  17          2HE       MET  17   0.158   6.397   9.799
  154   3HE   MET  17          3HE       MET  17  -0.807   5.509   8.618
  155    H    ALA  18           H        ALA  18   0.174   4.890   3.404
  156    HA   ALA  18           HA       ALA  18   2.455   3.732   4.632
  157   1HB   ALA  18          1HB       ALA  18   0.467   2.424   4.046
  158   2HB   ALA  18          2HB       ALA  18   1.927   1.752   3.322
  159   3HB   ALA  18          3HB       ALA  18   0.804   2.685   2.335
  160    H    GLU  19           H        GLU  19   2.055   5.633   1.850
  161    HA   GLU  19           HA       GLU  19   4.120   4.566   0.223
  162   1HB   GLU  19          2HB       GLU  19   2.344   6.111  -0.595
  163   2HB   GLU  19          1HB       GLU  19   3.092   7.411   0.322
  164   1HG   GLU  19          2HG       GLU  19   4.795   7.657  -1.146
  165   2HG   GLU  19          1HG       GLU  19   4.825   5.945  -1.569
  166    H    PHE  20           H        PHE  20   4.019   7.300   2.503
  167    HA   PHE  20           HA       PHE  20   6.816   7.828   2.283
  168   1HB   PHE  20          2HB       PHE  20   5.222   9.582   2.948
  169   2HB   PHE  20          1HB       PHE  20   4.856   8.698   4.427
  170    HD1  PHE  20           1HD      PHE  20   7.574  10.419   2.591
  171    HD2  PHE  20           2HD      PHE  20   6.180   8.971   6.342
  172    HE1  PHE  20           1HE      PHE  20   9.428  11.576   3.722
  173    HE2  PHE  20           2HE      PHE  20   8.029  10.127   7.480
  174    HZ   PHE  20           HZ       PHE  20   9.656  11.433   6.170
  175    H    ILE  21           H        ILE  21   4.801   5.958   4.506
  176    HA   ILE  21           HA       ILE  21   6.792   5.452   6.442
  177    HB   ILE  21           HB       ILE  21   4.421   3.729   5.707
  178   1HG1  ILE  21          2HG1      ILE  21   4.686   5.781   7.914
  179   2HG1  ILE  21          1HG1      ILE  21   3.885   6.084   6.376
  180   1HG2  ILE  21          1HG2      ILE  21   4.973   2.325   7.347
  181   2HG2  ILE  21          2HG2      ILE  21   5.325   3.644   8.463
  182   3HG2  ILE  21          3HG2      ILE  21   6.562   3.091   7.334
  183   1HD1  ILE  21          1HD1      ILE  21   2.907   4.745   8.747
  184   2HD1  ILE  21          2HD1      ILE  21   2.679   3.780   7.289
  185   3HD1  ILE  21          3HD1      ILE  21   2.023   5.415   7.377
  186    H    MET  22           H        MET  22   5.608   3.370   3.800
  187    HA   MET  22           HA       MET  22   7.427   1.293   4.148
  188   1HB   MET  22          2HB       MET  22   5.940   2.269   1.720
  189   2HB   MET  22          1HB       MET  22   6.986   0.857   1.665
  190   1HG   MET  22          2HG       MET  22   5.141   0.731   3.886
  191   2HG   MET  22          1HG       MET  22   4.304   0.919   2.347
  192   1HE   MET  22          1HE       MET  22   7.104  -2.399   3.667
  193   2HE   MET  22          2HE       MET  22   5.665  -2.103   4.641
  194   3HE   MET  22          3HE       MET  22   6.837  -0.810   4.384
  195    H    LYS  23           H        LYS  23   7.634   4.069   1.924
  196    HA   LYS  23           HA       LYS  23  10.109   3.453   0.800
  197   1HB   LYS  23          2HB       LYS  23   8.401   5.262   0.134
  198   2HB   LYS  23          1HB       LYS  23   9.217   6.279   1.315
  199   1HG   LYS  23          2HG       LYS  23  11.235   6.243   0.103
  200   2HG   LYS  23          1HG       LYS  23  10.686   4.913  -0.919
  201   1HD   LYS  23          2HD       LYS  23   8.779   6.647  -1.522
  202   2HD   LYS  23          1HD       LYS  23  10.014   7.809  -1.033
  203   1HE   LYS  23          2HE       LYS  23  10.839   5.634  -2.870
  204   2HE   LYS  23          1HE       LYS  23   9.798   6.896  -3.529
  205   1HZ   LYS  23          1HZ       LYS  23  11.573   8.398  -2.293
  206   2HZ   LYS  23          2HZ       LYS  23  11.796   7.864  -3.882
  207   3HZ   LYS  23          3HZ       LYS  23  12.559   7.058  -2.606
  208    H    ASP  24           H        ASP  24   9.324   5.056   3.823
  209    HA   ASP  24           HA       ASP  24  11.877   6.105   4.386
  210   1HB   ASP  24          2HB       ASP  24   9.707   6.669   5.564
  211   2HB   ASP  24          1HB       ASP  24   9.878   5.151   6.440
  212    H    LEU  25           H        LEU  25  10.331   3.187   5.728
  213    HA   LEU  25           HA       LEU  25  12.696   2.199   6.915
  214   1HB   LEU  25          2HB       LEU  25  11.418   0.476   7.674
  215   2HB   LEU  25          1HB       LEU  25  10.144   1.614   7.277
  216    HG   LEU  25           HG       LEU  25  10.492   0.198   4.921
  217   1HD1  LEU  25          1HD1      LEU  25  11.923  -1.397   6.164
  218   2HD1  LEU  25          2HD1      LEU  25  10.462  -2.133   5.507
  219   3HD1  LEU  25          3HD1      LEU  25  10.557  -1.744   7.224
  220   1HD2  LEU  25          1HD2      LEU  25   8.527  -0.113   7.181
  221   2HD2  LEU  25          2HD2      LEU  25   8.340  -0.890   5.608
  222   3HD2  LEU  25          3HD2      LEU  25   8.358   0.870   5.727
  223    H    VAL  26           H        VAL  26  11.513   2.103   3.697
  224    HA   VAL  26           HA       VAL  26  12.812  -0.267   2.841
  225    HB   VAL  26           HB       VAL  26  11.426   1.987   1.515
  226   1HG1  VAL  26          1HG1      VAL  26  13.575   0.393   0.165
  227   2HG1  VAL  26          2HG1      VAL  26  13.265   2.126   0.092
  228   3HG1  VAL  26          3HG1      VAL  26  12.190   1.003  -0.740
  229   1HG2  VAL  26          1HG2      VAL  26  10.131   0.075   1.975
  230   2HG2  VAL  26          2HG2      VAL  26  11.373  -1.013   1.355
  231   3HG2  VAL  26          3HG2      VAL  26  10.464   0.011   0.244
  232    H    LYS  27           H        LYS  27  13.695   3.166   2.545
  233    HA   LYS  27           HA       LYS  27  16.040   2.887   1.121
  234   1HB   LYS  27          2HB       LYS  27  14.910   4.911   2.945
  235   2HB   LYS  27          1HB       LYS  27  16.653   4.984   2.724
  236   1HG   LYS  27          2HG       LYS  27  15.644   4.689   0.156
  237   2HG   LYS  27          1HG       LYS  27  14.530   5.804   0.950
  238   1HD   LYS  27          2HD       LYS  27  16.565   7.094   1.715
  239   2HD   LYS  27          1HD       LYS  27  17.509   6.084   0.618
  240   1HE   LYS  27          2HE       LYS  27  15.132   7.718  -0.247
  241   2HE   LYS  27          1HE       LYS  27  16.794   8.304  -0.315
  242   1HZ   LYS  27          1HZ       LYS  27  15.936   7.335  -2.425
  243   2HZ   LYS  27          2HZ       LYS  27  15.878   5.826  -1.662
  244   3HZ   LYS  27          3HZ       LYS  27  17.361   6.617  -1.862
  245    H    LYS  28           H        LYS  28  15.611   2.715   4.644
  246    HA   LYS  28           HA       LYS  28  18.355   2.564   5.243
  247   1HB   LYS  28          2HB       LYS  28  17.639   1.852   7.483
  248   2HB   LYS  28          1HB       LYS  28  16.768   3.265   6.906
  249   1HG   LYS  28          2HG       LYS  28  14.893   2.220   7.441
  250   2HG   LYS  28          1HG       LYS  28  15.212   1.098   6.116
  251   1HD   LYS  28          2HD       LYS  28  15.812  -0.567   7.508
  252   2HD   LYS  28          1HD       LYS  28  16.683   0.522   8.591
  253   1HE   LYS  28          2HE       LYS  28  14.297   1.325   9.253
  254   2HE   LYS  28          1HE       LYS  28  13.786  -0.216   8.566
  255   1HZ   LYS  28          1HZ       LYS  28  14.925   0.293  11.090
  256   2HZ   LYS  28          2HZ       LYS  28  15.954  -0.735  10.227
  257   3HZ   LYS  28          3HZ       LYS  28  14.338  -1.169  10.471
  258    H    ALA  29           H        ALA  29  15.960  -0.147   5.199
  259    HA   ALA  29           HA       ALA  29  18.284  -1.921   4.828
  260   1HB   ALA  29          1HB       ALA  29  17.156  -1.775   7.191
  261   2HB   ALA  29          2HB       ALA  29  17.730  -3.309   6.537
  262   3HB   ALA  29          3HB       ALA  29  16.015  -2.906   6.462
  263    H    ASN  30           H        ASN  30  16.231  -1.013   2.803
  264    HA   ASN  30           HA       ASN  30  15.353  -3.731   2.080
  265   1HB   ASN  30          2HB       ASN  30  13.704  -1.441   2.551
  266   2HB   ASN  30          1HB       ASN  30  13.596  -1.879   0.850
  267   1HD2  ASN  30          1HD2      ASN  30  12.021  -3.221   0.413
  268   2HD2  ASN  30          2HD2      ASN  30  11.387  -4.437   1.464
  269    H    LEU  31           H        LEU  31  15.549  -0.492   0.618
  270    HA   LEU  31           HA       LEU  31  16.168  -1.571  -1.960
  271   1HB   LEU  31          2HB       LEU  31  15.576   0.459  -2.656
  272   2HB   LEU  31          1HB       LEU  31  15.254   0.871  -0.985
  273    HG   LEU  31           HG       LEU  31  17.868   1.428  -1.028
  274   1HD1  LEU  31          1HD1      LEU  31  18.512   0.984  -3.190
  275   2HD1  LEU  31          2HD1      LEU  31  18.106   2.697  -3.302
  276   3HD1  LEU  31          3HD1      LEU  31  16.962   1.480  -3.868
  277   1HD2  LEU  31          1HD2      LEU  31  16.556   3.664  -2.222
  278   2HD2  LEU  31          2HD2      LEU  31  17.016   3.416  -0.538
  279   3HD2  LEU  31          3HD2      LEU  31  15.443   2.864  -1.113
  280    H    GLU  32           H        GLU  32  18.015  -0.516   0.777
  281    HA   GLU  32           HA       GLU  32  20.460  -0.016  -0.519
  282   1HB   GLU  32          2HB       GLU  32  19.619  -0.632   2.264
  283   2HB   GLU  32          1HB       GLU  32  21.314  -0.881   1.870
  284   1HG   GLU  32          2HG       GLU  32  19.871   1.697   1.325
  285   2HG   GLU  32          1HG       GLU  32  20.712   1.362   2.837
  286    H    LYS  33           H        LYS  33  18.713  -2.853  -0.025
  287    HA   LYS  33           HA       LYS  33  21.060  -4.565  -0.378
  288   1HB   LYS  33          2HB       LYS  33  18.939  -4.908   1.255
  289   2HB   LYS  33          1HB       LYS  33  18.351  -5.753  -0.171
  290   1HG   LYS  33          2HG       LYS  33  20.344  -7.170  -0.153
  291   2HG   LYS  33          1HG       LYS  33  20.923  -6.328   1.286
  292   1HD   LYS  33          2HD       LYS  33  19.079  -7.125   2.582
  293   2HD   LYS  33          1HD       LYS  33  18.284  -7.776   1.147
  294   1HE   LYS  33          2HE       LYS  33  20.208  -9.326   0.860
  295   2HE   LYS  33          1HE       LYS  33  20.859  -8.735   2.388
  296   1HZ   LYS  33          1HZ       LYS  33  18.155  -9.507   2.705
  297   2HZ   LYS  33          2HZ       LYS  33  19.529 -10.100   3.492
  298   3HZ   LYS  33          3HZ       LYS  33  19.035 -10.780   2.024
  299    H    GLU  34           H        GLU  34  18.245  -3.332  -1.952
  300    HA   GLU  34           HA       GLU  34  18.508  -3.171  -4.439
  301   1HB   GLU  34          2HB       GLU  34  18.732  -5.119  -5.747
  302   2HB   GLU  34          1HB       GLU  34  19.919  -5.295  -4.462
  303   1HG   GLU  34          2HG       GLU  34  17.990  -6.585  -3.263
  304   2HG   GLU  34          1HG       GLU  34  17.366  -6.760  -4.902
  305    H    PHE  35           H        PHE  35  16.466  -3.496  -2.175
  306    HA   PHE  35           HA       PHE  35  14.266  -4.694  -3.697
  307   1HB   PHE  35          2HB       PHE  35  14.619  -3.977  -0.802
  308   2HB   PHE  35          1HB       PHE  35  13.015  -4.254  -1.470
  309    HD1  PHE  35           1HD      PHE  35  12.150  -6.368  -1.323
  310    HD2  PHE  35           2HD      PHE  35  16.377  -5.877  -1.411
  311    HE1  PHE  35           1HE      PHE  35  12.435  -8.791  -1.003
  312    HE2  PHE  35           2HE      PHE  35  16.669  -8.300  -1.093
  313    HZ   PHE  35           HZ       PHE  35  14.695  -9.760  -0.889
  314    H    PHE  36           H        PHE  36  13.081  -3.427  -4.929
  315    HA   PHE  36           HA       PHE  36  12.776  -0.596  -4.183
  316   1HB   PHE  36          2HB       PHE  36  12.217  -1.784  -6.901
  317   2HB   PHE  36          1HB       PHE  36  12.431  -0.087  -6.484
  318    HD1  PHE  36           1HD      PHE  36  14.082  -3.209  -7.309
  319    HD2  PHE  36           2HD      PHE  36  14.671   0.791  -5.980
  320    HE1  PHE  36           1HE      PHE  36  16.471  -3.379  -7.870
  321    HE2  PHE  36           2HE      PHE  36  17.062   0.628  -6.539
  322    HZ   PHE  36           HZ       PHE  36  17.965  -1.459  -7.485
  323    H    ILE  37           H        ILE  37  10.787   0.267  -3.875
  324    HA   ILE  37           HA       ILE  37   8.489  -1.559  -4.144
  325    HB   ILE  37           HB       ILE  37   7.441  -0.360  -2.271
  326   1HG1  ILE  37          2HG1      ILE  37   9.753   0.891  -1.142
  327   2HG1  ILE  37          1HG1      ILE  37   9.519   1.515  -2.771
  328   1HG2  ILE  37          1HG2      ILE  37   9.127  -1.121  -0.493
  329   2HG2  ILE  37          2HG2      ILE  37  10.111  -1.657  -1.855
  330   3HG2  ILE  37          3HG2      ILE  37   8.500  -2.331  -1.612
  331   1HD1  ILE  37          1HD1      ILE  37   7.232   1.384  -0.855
  332   2HD1  ILE  37          2HD1      ILE  37   7.456   2.427  -2.260
  333   3HD1  ILE  37          3HD1      ILE  37   8.391   2.711  -0.792
  334    H    ASN  38           H        ASN  38   6.507  -0.706  -4.812
  335    HA   ASN  38           HA       ASN  38   6.523   2.037  -5.855
  336   1HB   ASN  38          2HB       ASN  38   6.374  -0.439  -7.398
  337   2HB   ASN  38          1HB       ASN  38   5.013   0.633  -7.709
  338   1HD2  ASN  38          1HD2      ASN  38   6.139   0.525  -9.861
  339   2HD2  ASN  38          2HD2      ASN  38   7.331   1.733 -10.177
  340    H    SER  39           H        SER  39   4.350   2.900  -6.237
  341    HA   SER  39           HA       SER  39   2.121   1.431  -5.102
  342   1HB   SER  39          2HB       SER  39   2.956   4.073  -3.885
  343   2HB   SER  39          1HB       SER  39   1.590   3.070  -3.397
  344    HG   SER  39           HG       SER  39   4.342   2.639  -3.022
  345    H    ALA  40           H        ALA  40   0.244   1.957  -6.070
  346    HA   ALA  40           HA       ALA  40  -0.312   4.569  -7.086
  347   1HB   ALA  40          1HB       ALA  40   0.705   4.397  -9.061
  348   2HB   ALA  40          2HB       ALA  40  -0.563   3.249  -9.493
  349   3HB   ALA  40          3HB       ALA  40   0.978   2.666  -8.863
  350    H    GLY  41           H        GLY  41  -2.363   4.557  -8.457
  351   1HA   GLY  41          2HA       GLY  41  -4.265   2.752  -7.161
  352   2HA   GLY  41          1HA       GLY  41  -4.661   4.223  -8.037
  353    H    THR  42           H        THR  42  -6.289   2.377  -8.730
  354    HA   THR  42           HA       THR  42  -5.392   0.481 -10.638
  355    HB   THR  42           HB       THR  42  -8.102   1.112 -11.186
  356    HG1  THR  42           1HG      THR  42  -8.601   0.618  -8.736
  357   1HG2  THR  42          1HG2      THR  42  -7.375  -1.118 -11.332
  358   2HG2  THR  42          2HG2      THR  42  -8.425  -1.089  -9.916
  359   3HG2  THR  42          3HG2      THR  42  -6.673  -1.086  -9.714
  360    H    SER  43           H        SER  43  -6.950   3.666 -10.995
  361    HA   SER  43           HA       SER  43  -5.982   3.703 -13.778
  362   1HB   SER  43          2HB       SER  43  -8.463   3.414 -13.626
  363   2HB   SER  43          1HB       SER  43  -8.551   4.970 -12.803
  364    HG   SER  43           HG       SER  43  -7.443   4.575 -15.385
  365    H    GLY  44           H        GLY  44  -5.540   4.988 -10.835
  366   1HA   GLY  44          2HA       GLY  44  -4.682   6.946 -10.012
  367   2HA   GLY  44          1HA       GLY  44  -3.884   7.050 -11.572
  368    H    GLU  45           H        GLU  45  -7.380   7.209 -11.055
  369    HA   GLU  45           HA       GLU  45  -7.796   9.424 -12.673
  370   1HB   GLU  45          2HB       GLU  45  -9.351   7.875 -10.783
  371   2HB   GLU  45          1HB       GLU  45  -9.768   9.580 -10.682
  372   1HG   GLU  45          2HG       GLU  45 -10.108   9.570 -13.149
  373   2HG   GLU  45          1HG       GLU  45  -9.868   7.823 -13.120
  374    H    HIS  46           H        HIS  46  -8.383   9.668  -9.187
  375    HA   HIS  46           HA       HIS  46  -7.219  12.362  -9.230
  376   1HB   HIS  46          2HB       HIS  46  -9.203  10.971  -7.468
  377   2HB   HIS  46          1HB       HIS  46  -8.246  12.287  -6.789
  378    HD1  HIS  46           1HD      HIS  46 -11.447  12.026  -7.710
  379    HD2  HIS  46           2HD      HIS  46  -8.415  14.390  -9.283
  380    HE1  HIS  46           1HE      HIS  46 -12.611  13.941  -8.851
  381    HE2  HIS  46           2HE      HIS  46 -10.759  15.297  -9.890
  382    H    ASP  47           H        ASP  47  -6.659   9.172  -8.323
  383    HA   ASP  47           HA       ASP  47  -5.200   9.127  -6.045
  384   1HB   ASP  47          2HB       ASP  47  -4.267   7.723  -8.549
  385   2HB   ASP  47          1HB       ASP  47  -4.103   7.184  -6.881
  386    H    GLY  48           H        GLY  48  -3.931  10.849  -5.512
  387   1HA   GLY  48          2HA       GLY  48  -1.283  10.961  -6.282
  388   2HA   GLY  48          1HA       GLY  48  -2.124  12.099  -7.324
  389    H    GLU  49           H        GLU  49  -4.090  12.767  -5.237
  390    HA   GLU  49           HA       GLU  49  -2.968  15.044  -4.181
  391   1HB   GLU  49          2HB       GLU  49  -5.242  13.342  -3.162
  392   2HB   GLU  49          1HB       GLU  49  -4.819  14.882  -2.433
  393   1HG   GLU  49          2HG       GLU  49  -5.274  14.804  -5.362
  394   2HG   GLU  49          1HG       GLU  49  -6.670  14.677  -4.294
  395    H    GLY  50           H        GLY  50  -3.694  12.152  -2.208
  396   1HA   GLY  50          2HA       GLY  50  -2.139  11.058  -0.801
  397   2HA   GLY  50          1HA       GLY  50  -1.099  12.466  -0.895
  398    H    MET  51           H        MET  51  -3.673  14.101  -0.313
  399    HA   MET  51           HA       MET  51  -3.502  13.719   2.598
  400   1HB   MET  51          2HB       MET  51  -4.429  16.144   2.586
  401   2HB   MET  51          1HB       MET  51  -2.731  15.871   2.219
  402   1HG   MET  51          2HG       MET  51  -3.160  16.096  -0.140
  403   2HG   MET  51          1HG       MET  51  -4.891  16.235   0.156
  404   1HE   MET  51          1HE       MET  51  -4.077  18.871  -1.540
  405   2HE   MET  51          2HE       MET  51  -5.106  19.790  -0.442
  406   3HE   MET  51          3HE       MET  51  -5.516  18.123  -0.848
  407    H    HIS  52           H        HIS  52  -5.219  13.005   3.638
  408    HA   HIS  52           HA       HIS  52  -7.883  13.491   2.494
  409   1HB   HIS  52          2HB       HIS  52  -6.687  11.013   2.520
  410   2HB   HIS  52          1HB       HIS  52  -7.643  10.985   3.998
  411    HD1  HIS  52           1HD      HIS  52  -7.926  10.050   0.629
  412    HD2  HIS  52           2HD      HIS  52 -10.460  12.013   3.270
  413    HE1  HIS  52           1HE      HIS  52 -10.234   9.787  -0.334
  414    HE2  HIS  52           2HE      HIS  52 -11.737  11.066   1.231
  415    H    TYR  53           H        TYR  53  -9.625  12.999   4.190
  416    HA   TYR  53           HA       TYR  53  -9.438  14.770   6.277
  417   1HB   TYR  53          2HB       TYR  53 -11.214  12.412   5.775
  418   2HB   TYR  53          1HB       TYR  53 -11.342  13.302   7.288
  419    HD1  TYR  53           1HD      TYR  53 -10.868  16.075   6.332
  420    HD2  TYR  53           2HD      TYR  53 -13.199  12.933   4.659
  421    HE1  TYR  53           1HE      TYR  53 -12.310  17.738   5.233
  422    HE2  TYR  53           2HE      TYR  53 -14.645  14.586   3.553
  423    HH   TYR  53           HH       TYR  53 -15.130  17.379   4.269
  424    H    GLY  54           H        GLY  54  -9.557  11.250   6.801
  425   1HA   GLY  54          2HA       GLY  54  -8.581  11.449   9.454
  426   2HA   GLY  54          1HA       GLY  54  -8.767   9.970   8.531
  427    H    THR  55           H        THR  55  -6.969  10.715   6.389
  428    HA   THR  55           HA       THR  55  -4.574   9.737   7.453
  429    HB   THR  55           HB       THR  55  -4.816  11.357   4.916
  430    HG1  THR  55           1HG      THR  55  -5.170   8.548   5.256
  431   1HG2  THR  55          1HG2      THR  55  -2.543  10.985   5.294
  432   2HG2  THR  55          2HG2      THR  55  -3.004   9.641   4.249
  433   3HG2  THR  55          3HG2      THR  55  -2.823   9.386   5.984
  434    H    LYS  56           H        LYS  56  -5.372  13.065   6.434
  435    HA   LYS  56           HA       LYS  56  -2.926  14.212   7.171
  436   1HB   LYS  56          2HB       LYS  56  -3.931  16.297   6.835
  437   2HB   LYS  56          1HB       LYS  56  -4.838  15.225   5.779
  438   1HG   LYS  56          2HG       LYS  56  -6.623  15.093   7.448
  439   2HG   LYS  56          1HG       LYS  56  -5.713  16.184   8.497
  440   1HD   LYS  56          2HD       LYS  56  -6.064  17.206   5.785
  441   2HD   LYS  56          1HD       LYS  56  -7.588  16.941   6.636
  442   1HE   LYS  56          2HE       LYS  56  -7.274  18.780   7.839
  443   2HE   LYS  56          1HE       LYS  56  -5.722  18.170   8.414
  444   1HZ   LYS  56          1HZ       LYS  56  -6.177  19.672   5.893
  445   2HZ   LYS  56          2HZ       LYS  56  -4.688  19.059   6.407
  446   3HZ   LYS  56          3HZ       LYS  56  -5.450  20.278   7.296
  447    H    ASN  57           H        ASN  57  -5.788  13.472   9.055
  448    HA   ASN  57           HA       ASN  57  -5.203  15.001  11.332
  449   1HB   ASN  57          2HB       ASN  57  -7.380  13.824  10.792
  450   2HB   ASN  57          1HB       ASN  57  -6.618  12.332  11.336
  451   1HD2  ASN  57          1HD2      ASN  57  -6.236  12.016  13.506
  452   2HD2  ASN  57          2HD2      ASN  57  -6.901  13.036  14.732
  453    H    LYS  58           H        LYS  58  -4.457  11.594  10.609
  454    HA   LYS  58           HA       LYS  58  -3.086  11.107  13.028
  455   1HB   LYS  58          2HB       LYS  58  -2.946   9.713  10.354
  456   2HB   LYS  58          1HB       LYS  58  -2.137   9.130  11.802
  457   1HG   LYS  58          2HG       LYS  58  -5.078   9.309  11.249
  458   2HG   LYS  58          1HG       LYS  58  -4.116   7.891  11.662
  459   1HD   LYS  58          2HD       LYS  58  -4.620  10.213  13.522
  460   2HD   LYS  58          1HD       LYS  58  -5.549   8.713  13.524
  461   1HE   LYS  58          2HE       LYS  58  -4.038   8.122  15.097
  462   2HE   LYS  58          1HE       LYS  58  -3.067   7.702  13.685
  463   1HZ   LYS  58          1HZ       LYS  58  -1.844   9.676  13.866
  464   2HZ   LYS  58          2HZ       LYS  58  -1.964   9.106  15.454
  465   3HZ   LYS  58          3HZ       LYS  58  -2.947  10.383  14.937
  466    H    LEU  59           H        LEU  59  -1.970  12.114   9.820
  467    HA   LEU  59           HA       LEU  59   0.788  12.009  10.456
  468   1HB   LEU  59          2HB       LEU  59  -0.823  13.279   8.281
  469   2HB   LEU  59          1HB       LEU  59   0.853  13.758   8.484
  470    HG   LEU  59           HG       LEU  59   1.675  11.731   7.776
  471   1HD1  LEU  59          1HD1      LEU  59  -0.950  10.373   8.354
  472   2HD1  LEU  59          2HD1      LEU  59   0.427  10.392   9.454
  473   3HD1  LEU  59          3HD1      LEU  59   0.568   9.610   7.879
  474   1HD2  LEU  59          1HD2      LEU  59   0.796  11.419   5.705
  475   2HD2  LEU  59          2HD2      LEU  59  -0.021  12.923   6.130
  476   3HD2  LEU  59          3HD2      LEU  59  -0.867  11.384   6.292
  477    H    ALA  60           H        ALA  60  -1.671  14.508  10.731
  478    HA   ALA  60           HA       ALA  60   0.056  16.650  11.357
  479   1HB   ALA  60          1HB       ALA  60  -2.643  16.602  12.575
  480   2HB   ALA  60          2HB       ALA  60  -2.551  16.528  10.815
  481   3HB   ALA  60          3HB       ALA  60  -1.823  17.882  11.680
  482    H    GLN  61           H        GLN  61  -1.365  14.079  13.260
  483    HA   GLN  61           HA       GLN  61  -1.004  15.081  15.826
  484   1HB   GLN  61          2HB       GLN  61  -1.524  12.515  14.617
  485   2HB   GLN  61          1HB       GLN  61  -0.422  12.339  15.974
  486   1HG   GLN  61          2HG       GLN  61  -2.414  14.077  16.862
  487   2HG   GLN  61          1HG       GLN  61  -3.252  12.812  15.966
  488   1HE2  GLN  61          1HE2      GLN  61  -1.568  10.666  16.496
  489   2HE2  GLN  61          2HE2      GLN  61  -1.669  10.278  18.176
  490    H    LEU  62           H        LEU  62   1.269  12.971  14.017
  491    HA   LEU  62           HA       LEU  62   3.464  14.332  15.372
  492   1HB   LEU  62          2HB       LEU  62   4.476  11.837  15.477
  493   2HB   LEU  62          1HB       LEU  62   3.707  12.647  16.821
  494    HG   LEU  62           HG       LEU  62   3.075  10.220  16.366
  495   1HD1  LEU  62          1HD1      LEU  62   1.330  12.491  17.001
  496   2HD1  LEU  62          2HD1      LEU  62   1.678  11.024  17.916
  497   3HD1  LEU  62          3HD1      LEU  62   0.508  10.985  16.597
  498   1HD2  LEU  62          1HD2      LEU  62   1.855   9.596  14.578
  499   2HD2  LEU  62          2HD2      LEU  62   2.656  10.976  13.828
  500   3HD2  LEU  62          3HD2      LEU  62   1.020  11.144  14.465
  501    H    ASN  63           H        ASN  63   2.317  12.382  12.712
  502    HA   ASN  63           HA       ASN  63   4.874  12.181  11.427
  503   1HB   ASN  63          2HB       ASN  63   2.163  11.856  10.128
  504   2HB   ASN  63          1HB       ASN  63   3.703  11.197   9.579
  505   1HD2  ASN  63          1HD2      ASN  63   0.913  10.309  10.859
  506   2HD2  ASN  63          2HD2      ASN  63   1.405   8.964  11.826
  507    H    ILE  64           H        ILE  64   4.048  12.836   8.759
  508    HA   ILE  64           HA       ILE  64   4.135  15.778   8.927
  509    HB   ILE  64           HB       ILE  64   5.231  13.935   6.809
  510   1HG1  ILE  64          2HG1      ILE  64   7.076  15.802   8.062
  511   2HG1  ILE  64          1HG1      ILE  64   6.324  14.734   9.243
  512   1HG2  ILE  64          1HG2      ILE  64   4.530  16.738   6.703
  513   2HG2  ILE  64          2HG2      ILE  64   5.021  15.648   5.407
  514   3HG2  ILE  64          3HG2      ILE  64   6.242  16.479   6.371
  515   1HD1  ILE  64          1HD1      ILE  64   7.788  13.848   6.768
  516   2HD1  ILE  64          2HD1      ILE  64   7.077  12.797   7.994
  517   3HD1  ILE  64          3HD1      ILE  64   8.434  13.843   8.409
  518    H    GLU  65           H        GLU  65   2.659  16.967   7.821
  519    HA   GLU  65           HA       GLU  65   0.289  15.751   6.888
  520   1HB   GLU  65          2HB       GLU  65   1.392  18.535   6.816
  521   2HB   GLU  65          1HB       GLU  65  -0.050  18.152   5.886
  522   1HG   GLU  65          2HG       GLU  65  -0.984  17.213   8.075
  523   2HG   GLU  65          1HG       GLU  65   0.339  18.079   8.854
  524    H    HIS  66           H        HIS  66   0.997  14.222   5.331
  525    HA   HIS  66           HA       HIS  66   1.242  13.448   3.219
  526   1HB   HIS  66          2HB       HIS  66  -0.050  14.576   1.783
  527   2HB   HIS  66          1HB       HIS  66  -0.084  15.925   2.910
  528    HD1  HIS  66           1HD      HIS  66   1.205  18.013   2.274
  529    HD2  HIS  66           2HD      HIS  66   1.866  14.837  -0.323
  530    HE1  HIS  66           1HE      HIS  66   2.461  18.989   0.326
  531    HE2  HIS  66           2HE      HIS  66   2.793  17.062  -1.264
  532    H    LYS  67           H        LYS  67   2.981  12.868   2.081
  533    HA   LYS  67           HA       LYS  67   5.181  14.726   1.676
  534   1HB   LYS  67          2HB       LYS  67   6.011  12.094   2.763
  535   2HB   LYS  67          1HB       LYS  67   6.763  13.671   2.944
  536   1HG   LYS  67          2HG       LYS  67   6.054  13.198   5.085
  537   2HG   LYS  67          1HG       LYS  67   4.743  14.202   4.464
  538   1HD   LYS  67          2HD       LYS  67   3.260  12.477   4.419
  539   2HD   LYS  67          1HD       LYS  67   4.501  11.277   4.061
  540   1HE   LYS  67          2HE       LYS  67   5.297  11.463   6.396
  541   2HE   LYS  67          1HE       LYS  67   3.971  12.577   6.729
  542   1HZ   LYS  67          1HZ       LYS  67   2.399  10.841   6.217
  543   2HZ   LYS  67          2HZ       LYS  67   3.469  10.297   7.409
  544   3HZ   LYS  67          3HZ       LYS  67   3.646   9.772   5.811
  545    H    ASN  68           H        ASN  68   3.318  13.457  -0.080
  546    HA   ASN  68           HA       ASN  68   5.137  12.426  -2.017
  547   1HB   ASN  68          2HB       ASN  68   3.545  10.248  -2.138
  548   2HB   ASN  68          1HB       ASN  68   5.071  10.284  -1.260
  549   1HD2  ASN  68          1HD2      ASN  68   4.953   9.449   0.681
  550   2HD2  ASN  68          2HD2      ASN  68   3.577   9.472   1.726
  551    H    PHE  69           H        PHE  69   3.692  14.560  -2.371
  552    HA   PHE  69           HA       PHE  69   1.084  14.033  -3.473
  553   1HB   PHE  69          2HB       PHE  69   2.225  16.252  -2.426
  554   2HB   PHE  69          1HB       PHE  69   2.462  16.569  -4.141
  555    HD1  PHE  69           1HD      PHE  69   0.313  16.184  -5.626
  556    HD2  PHE  69           2HD      PHE  69   0.279  16.955  -1.441
  557    HE1  PHE  69           1HE      PHE  69  -2.001  17.005  -5.800
  558    HE2  PHE  69           2HE      PHE  69  -2.034  17.777  -1.607
  559    HZ   PHE  69           HZ       PHE  69  -3.177  17.802  -3.789
  560    H    THR  70           H        THR  70   1.487  12.506  -5.118
  561    HA   THR  70           HA       THR  70   2.310  13.707  -7.626
  562    HB   THR  70           HB       THR  70   4.446  12.902  -7.077
  563    HG1  THR  70           1HG      THR  70   4.656  11.026  -8.490
  564   1HG2  THR  70          1HG2      THR  70   4.873  10.642  -6.198
  565   2HG2  THR  70          2HG2      THR  70   3.135  10.350  -6.136
  566   3HG2  THR  70          3HG2      THR  70   3.857  11.590  -5.112
  567    H    SER  71           H        SER  71   0.658  13.264  -8.922
  568    HA   SER  71           HA       SER  71  -1.240  11.249  -8.520
  569   1HB   SER  71          2HB       SER  71  -1.510  11.734 -11.171
  570   2HB   SER  71          1HB       SER  71  -2.141  12.802  -9.918
  571    HG   SER  71           HG       SER  71  -0.824  13.822 -11.590
  572    H    LYS  72           H        LYS  72  -0.852   9.136  -8.561
  573    HA   LYS  72           HA       LYS  72   0.903   8.090 -10.684
  574   1HB   LYS  72          2HB       LYS  72   0.542   7.176  -7.835
  575   2HB   LYS  72          1HB       LYS  72   1.287   6.159  -9.062
  576   1HG   LYS  72          2HG       LYS  72   3.074   7.715  -9.366
  577   2HG   LYS  72          1HG       LYS  72   2.277   8.908  -8.338
  578   1HD   LYS  72          2HD       LYS  72   2.645   7.621  -6.393
  579   2HD   LYS  72          1HD       LYS  72   3.075   6.189  -7.330
  580   1HE   LYS  72          2HE       LYS  72   4.663   8.751  -7.254
  581   2HE   LYS  72          1HE       LYS  72   5.031   7.307  -6.312
  582   1HZ   LYS  72          1HZ       LYS  72   5.437   6.087  -8.308
  583   2HZ   LYS  72          2HZ       LYS  72   6.338   7.516  -8.383
  584   3HZ   LYS  72          3HZ       LYS  72   4.909   7.370  -9.277
  585    H    LYS  73           H        LYS  73   0.109   6.605 -12.013
  586    HA   LYS  73           HA       LYS  73  -2.433   5.282 -11.317
  587   1HB   LYS  73          2HB       LYS  73  -2.533   5.373 -14.037
  588   2HB   LYS  73          1HB       LYS  73  -3.324   6.530 -12.977
  589   1HG   LYS  73          2HG       LYS  73  -2.084   8.194 -13.753
  590   2HG   LYS  73          1HG       LYS  73  -0.592   7.299 -13.454
  591   1HD   LYS  73          2HD       LYS  73  -0.630   6.307 -15.577
  592   2HD   LYS  73          1HD       LYS  73  -2.330   6.705 -15.829
  593   1HE   LYS  73          2HE       LYS  73  -1.535   9.160 -15.680
  594   2HE   LYS  73          1HE       LYS  73   0.070   8.492 -15.972
  595   1HZ   LYS  73          1HZ       LYS  73  -1.832   9.121 -17.860
  596   2HZ   LYS  73          2HZ       LYS  73  -1.818   7.431 -17.806
  597   3HZ   LYS  73          3HZ       LYS  73  -0.388   8.278 -18.117
  598    H    LEU  74           H        LEU  74  -1.726   3.262 -10.853
  599    HA   LEU  74           HA       LEU  74   0.474   1.942 -11.868
  600   1HB   LEU  74          2HB       LEU  74  -0.665   1.062  -9.964
  601   2HB   LEU  74          1HB       LEU  74  -2.151   0.851 -10.872
  602    HG   LEU  74           HG       LEU  74  -0.085  -0.655 -12.151
  603   1HD1  LEU  74          1HD1      LEU  74   1.207  -0.989 -10.300
  604   2HD1  LEU  74          2HD1      LEU  74   0.038  -2.294 -10.095
  605   3HD1  LEU  74          3HD1      LEU  74  -0.143  -0.795  -9.183
  606   1HD2  LEU  74          1HD2      LEU  74  -2.724  -1.135 -10.862
  607   2HD2  LEU  74          2HD2      LEU  74  -1.697  -2.522 -11.227
  608   3HD2  LEU  74          3HD2      LEU  74  -2.203  -1.435 -12.520
  609    H    THR  75           H        THR  75   0.968   1.552 -13.911
  610    HA   THR  75           HA       THR  75  -1.177   0.724 -15.753
  611    HB   THR  75           HB       THR  75   1.287   1.544 -17.062
  612    HG1  THR  75           1HG      THR  75   1.209   2.944 -15.116
  613   1HG2  THR  75          1HG2      THR  75  -0.447   3.139 -18.135
  614   2HG2  THR  75          2HG2      THR  75  -1.633   2.205 -17.222
  615   3HG2  THR  75          3HG2      THR  75  -0.605   1.405 -18.411
  616    H    GLN  76           H        GLN  76   0.265  -0.297 -17.807
  617    HA   GLN  76           HA       GLN  76   0.991  -2.867 -16.808
  618   1HB   GLN  76          2HB       GLN  76   0.805  -1.579 -19.485
  619   2HB   GLN  76          1HB       GLN  76   1.791  -3.028 -19.346
  620   1HG   GLN  76          2HG       GLN  76   0.015  -4.363 -19.182
  621   2HG   GLN  76          1HG       GLN  76  -0.818  -3.276 -18.072
  622   1HE2  GLN  76          1HE2      GLN  76  -2.574  -2.328 -18.808
  623   2HE2  GLN  76          2HE2      GLN  76  -2.992  -2.105 -20.469
  624    H    LYS  77           H        LYS  77   2.759  -0.020 -17.810
  625    HA   LYS  77           HA       LYS  77   5.291  -1.141 -18.195
  626   1HB   LYS  77          2HB       LYS  77   4.240   1.563 -17.572
  627   2HB   LYS  77          1HB       LYS  77   5.947   1.287 -17.250
  628   1HG   LYS  77          2HG       LYS  77   6.476   1.329 -19.413
  629   2HG   LYS  77          1HG       LYS  77   5.106   0.309 -19.860
  630   1HD   LYS  77          2HD       LYS  77   3.625   2.202 -19.857
  631   2HD   LYS  77          1HD       LYS  77   4.891   3.247 -19.210
  632   1HE   LYS  77          2HE       LYS  77   6.015   3.353 -21.212
  633   2HE   LYS  77          1HE       LYS  77   5.385   1.803 -21.768
  634   1HZ   LYS  77          1HZ       LYS  77   4.365   4.418 -22.209
  635   2HZ   LYS  77          2HZ       LYS  77   3.187   3.432 -21.502
  636   3HZ   LYS  77          3HZ       LYS  77   3.927   2.960 -22.948
  637    H    LEU  78           H        LEU  78   3.884   0.295 -15.258
  638    HA   LEU  78           HA       LEU  78   6.133  -0.338 -13.626
  639   1HB   LEU  78          2HB       LEU  78   3.313   0.358 -12.809
  640   2HB   LEU  78          1HB       LEU  78   4.719   0.368 -11.761
  641    HG   LEU  78           HG       LEU  78   5.208   2.043 -14.046
  642   1HD1  LEU  78          1HD1      LEU  78   3.510   3.796 -13.399
  643   2HD1  LEU  78          2HD1      LEU  78   2.645   2.516 -12.549
  644   3HD1  LEU  78          3HD1      LEU  78   2.890   2.408 -14.292
  645   1HD2  LEU  78          1HD2      LEU  78   5.009   3.640 -11.809
  646   2HD2  LEU  78          2HD2      LEU  78   6.463   2.817 -12.373
  647   3HD2  LEU  78          3HD2      LEU  78   5.441   2.063 -11.148
  648    H    CYS  79           H        CYS  79   2.950  -1.819 -14.105
  649    HA   CYS  79           HA       CYS  79   3.087  -3.758 -12.107
  650   1HB   CYS  79          2HB       CYS  79   1.012  -3.338 -13.253
  651   2HB   CYS  79          1HB       CYS  79   1.711  -3.820 -14.795
  652    HG   CYS  79           HG       CYS  79   2.141  -6.381 -12.914
  653    H    ASP  80           H        ASP  80   4.165  -3.912 -15.481
  654    HA   ASP  80           HA       ASP  80   4.993  -6.594 -15.465
  655   1HB   ASP  80          2HB       ASP  80   5.531  -4.218 -17.175
  656   2HB   ASP  80          1HB       ASP  80   6.620  -5.593 -17.330
  657    H    GLU  81           H        GLU  81   6.388  -3.807 -14.037
  658    HA   GLU  81           HA       GLU  81   9.085  -4.818 -13.981
  659   1HB   GLU  81          2HB       GLU  81   7.780  -2.497 -12.557
  660   2HB   GLU  81          1HB       GLU  81   9.494  -2.874 -12.462
  661   1HG   GLU  81          2HG       GLU  81   8.621  -2.729 -15.204
  662   2HG   GLU  81          1HG       GLU  81   8.219  -1.254 -14.328
  663    H    SER  82           H        SER  82   6.687  -4.125 -11.410
  664    HA   SER  82           HA       SER  82   8.128  -5.427  -9.378
  665   1HB   SER  82          2HB       SER  82   5.362  -4.398  -9.704
  666   2HB   SER  82          1HB       SER  82   5.628  -5.576  -8.418
  667    HG   SER  82           HG       SER  82   6.632  -2.986  -8.704
  668    H    ASP  83           H        ASP  83   7.977  -7.449  -8.474
  669    HA   ASP  83           HA       ASP  83   6.922  -9.519 -10.241
  670   1HB   ASP  83          2HB       ASP  83   8.843  -9.571  -7.915
  671   2HB   ASP  83          1HB       ASP  83   8.199 -11.044  -8.633
  672    H    PHE  84           H        PHE  84   6.417  -8.118  -7.089
  673    HA   PHE  84           HA       PHE  84   4.234 -10.046  -6.625
  674   1HB   PHE  84          2HB       PHE  84   6.120  -8.713  -4.698
  675   2HB   PHE  84          1HB       PHE  84   4.558  -9.324  -4.162
  676    HD1  PHE  84           1HD      PHE  84   7.607 -10.407  -6.005
  677    HD2  PHE  84           2HD      PHE  84   4.381 -11.513  -3.460
  678    HE1  PHE  84           1HE      PHE  84   8.574 -12.657  -5.763
  679    HE2  PHE  84           2HE      PHE  84   5.343 -13.763  -3.212
  680    HZ   PHE  84           HZ       PHE  84   7.443 -14.338  -4.364
  681    H    LEU  85           H        LEU  85   2.273  -9.204  -6.803
  682    HA   LEU  85           HA       LEU  85   1.935  -6.309  -6.396
  683   1HB   LEU  85          2HB       LEU  85   0.245  -8.281  -7.936
  684   2HB   LEU  85          1HB       LEU  85  -0.154  -6.588  -7.715
  685    HG   LEU  85           HG       LEU  85   2.399  -6.487  -8.764
  686   1HD1  LEU  85          1HD1      LEU  85   0.867  -8.569 -10.307
  687   2HD1  LEU  85          2HD1      LEU  85   2.205  -8.936  -9.218
  688   3HD1  LEU  85          3HD1      LEU  85   2.480  -7.943 -10.648
  689   1HD2  LEU  85          1HD2      LEU  85   1.397  -5.213 -10.325
  690   2HD2  LEU  85          2HD2      LEU  85  -0.023  -5.415  -9.298
  691   3HD2  LEU  85          3HD2      LEU  85   0.196  -6.445 -10.712
  692    H    ILE  86           H        ILE  86   1.010  -5.714  -4.550
  693    HA   ILE  86           HA       ILE  86  -0.810  -7.619  -3.227
  694    HB   ILE  86           HB       ILE  86   0.683  -5.449  -1.783
  695   1HG1  ILE  86          2HG1      ILE  86   1.630  -8.303  -1.902
  696   2HG1  ILE  86          1HG1      ILE  86   2.179  -7.118  -3.084
  697   1HG2  ILE  86          1HG2      ILE  86  -0.558  -6.180  -0.093
  698   2HG2  ILE  86          2HG2      ILE  86   0.299  -7.719  -0.190
  699   3HG2  ILE  86          3HG2      ILE  86  -1.210  -7.493  -1.075
  700   1HD1  ILE  86          1HD1      ILE  86   2.838  -5.707  -1.038
  701   2HD1  ILE  86          2HD1      ILE  86   3.839  -7.093  -1.473
  702   3HD1  ILE  86          3HD1      ILE  86   2.688  -7.220  -0.142
  703    H    THR  87           H        THR  87  -2.838  -7.057  -3.192
  704    HA   THR  87           HA       THR  87  -3.550  -4.204  -3.300
  705    HB   THR  87           HB       THR  87  -5.861  -5.730  -3.795
  706    HG1  THR  87           1HG      THR  87  -3.693  -6.631  -5.414
  707   1HG2  THR  87          1HG2      THR  87  -5.899  -4.588  -5.854
  708   2HG2  THR  87          2HG2      THR  87  -4.140  -4.478  -5.921
  709   3HG2  THR  87          3HG2      THR  87  -5.040  -3.509  -4.755
  710    H    MET  88           H        MET  88  -5.075  -3.402  -1.851
  711    HA   MET  88           HA       MET  88  -5.633  -5.166   0.442
  712   1HB   MET  88          2HB       MET  88  -5.809  -2.284   0.948
  713   2HB   MET  88          1HB       MET  88  -5.013  -3.546   1.878
  714   1HG   MET  88          2HG       MET  88  -3.526  -3.174  -0.498
  715   2HG   MET  88          1HG       MET  88  -3.864  -1.582   0.182
  716   1HE   MET  88          1HE       MET  88  -0.674  -2.637   0.092
  717   2HE   MET  88          2HE       MET  88  -0.392  -1.744   1.586
  718   3HE   MET  88          3HE       MET  88  -1.503  -1.107   0.373
  719    H    ASP  89           H        ASP  89  -6.991  -3.011  -1.903
  720    HA   ASP  89           HA       ASP  89  -9.516  -2.720  -0.535
  721   1HB   ASP  89          2HB       ASP  89  -8.819  -2.084  -3.410
  722   2HB   ASP  89          1HB       ASP  89 -10.245  -1.535  -2.534
  723    H    ASN  90           H        ASN  90 -11.298  -3.942  -0.770
  724    HA   ASN  90           HA       ASN  90 -11.126  -6.540  -1.751
  725   1HB   ASN  90          2HB       ASN  90 -13.648  -4.922  -1.330
  726   2HB   ASN  90          1HB       ASN  90 -13.536  -6.678  -1.393
  727   1HD2  ASN  90          1HD2      ASN  90 -13.069  -7.772   0.412
  728   2HD2  ASN  90          2HD2      ASN  90 -12.684  -7.047   1.933
  729    H    SER  91           H        SER  91 -12.705  -3.702  -3.214
  730    HA   SER  91           HA       SER  91 -13.565  -5.065  -5.543
  731   1HB   SER  91          2HB       SER  91 -14.516  -3.088  -6.127
  732   2HB   SER  91          1HB       SER  91 -14.128  -2.640  -4.465
  733    HG   SER  91           HG       SER  91 -13.350  -1.384  -6.557
  734    H    ASN  92           H        ASN  92 -10.563  -3.569  -4.644
  735    HA   ASN  92           HA       ASN  92  -9.462  -3.103  -7.176
  736   1HB   ASN  92          2HB       ASN  92  -8.622  -2.806  -4.559
  737   2HB   ASN  92          1HB       ASN  92  -7.510  -4.009  -5.207
  738   1HD2  ASN  92          1HD2      ASN  92  -6.980  -1.281  -4.399
  739   2HD2  ASN  92          2HD2      ASN  92  -6.340  -0.475  -5.787
  740    H    PHE  93           H        PHE  93  -9.495  -6.013  -5.178
  741    HA   PHE  93           HA       PHE  93  -7.711  -7.548  -6.702
  742   1HB   PHE  93          2HB       PHE  93  -8.112  -8.478  -4.629
  743   2HB   PHE  93          1HB       PHE  93  -9.834  -8.130  -4.686
  744    HD1  PHE  93           1HD      PHE  93 -11.382  -9.735  -5.458
  745    HD2  PHE  93           2HD      PHE  93  -7.204 -10.410  -5.919
  746    HE1  PHE  93           1HE      PHE  93 -11.833 -12.070  -6.085
  747    HE2  PHE  93           2HE      PHE  93  -7.649 -12.748  -6.547
  748    HZ   PHE  93           HZ       PHE  93  -9.966 -13.580  -6.631
  749    H    LYS  94           H        LYS  94 -11.276  -7.525  -6.741
  750    HA   LYS  94           HA       LYS  94 -11.540  -9.323  -8.891
  751   1HB   LYS  94          2HB       LYS  94 -13.314  -8.605  -7.208
  752   2HB   LYS  94          1HB       LYS  94 -13.522  -7.163  -8.192
  753   1HG   LYS  94          2HG       LYS  94 -14.604  -8.270  -9.832
  754   2HG   LYS  94          1HG       LYS  94 -13.646  -9.738  -9.623
  755   1HD   LYS  94          2HD       LYS  94 -15.826 -10.310  -8.936
  756   2HD   LYS  94          1HD       LYS  94 -14.912 -10.074  -7.445
  757   1HE   LYS  94          2HE       LYS  94 -15.797  -7.650  -7.563
  758   2HE   LYS  94          1HE       LYS  94 -16.980  -8.301  -8.696
  759   1HZ   LYS  94          1HZ       LYS  94 -17.266 -10.051  -6.770
  760   2HZ   LYS  94          2HZ       LYS  94 -18.102  -8.580  -6.758
  761   3HZ   LYS  94          3HZ       LYS  94 -16.704  -8.766  -5.823
  762    H    ASN  95           H        ASN  95 -11.190  -5.831  -8.768
  763    HA   ASN  95           HA       ASN  95 -11.876  -5.312 -11.460
  764   1HB   ASN  95          2HB       ASN  95 -10.899  -3.818  -9.193
  765   2HB   ASN  95          1HB       ASN  95 -10.041  -3.342 -10.655
  766   1HD2  ASN  95          1HD2      ASN  95 -11.355  -2.734 -12.510
  767   2HD2  ASN  95          2HD2      ASN  95 -12.873  -1.957 -12.240
  768    H    VAL  96           H        VAL  96  -8.667  -5.464  -9.901
  769    HA   VAL  96           HA       VAL  96  -7.164  -5.224 -12.251
  770    HB   VAL  96           HB       VAL  96  -6.418  -6.624  -9.677
  771   1HG1  VAL  96          1HG1      VAL  96  -4.070  -5.878 -10.505
  772   2HG1  VAL  96          2HG1      VAL  96  -4.832  -5.867 -12.095
  773   3HG1  VAL  96          3HG1      VAL  96  -4.791  -7.353 -11.147
  774   1HG2  VAL  96          1HG2      VAL  96  -5.677  -4.601  -8.848
  775   2HG2  VAL  96          2HG2      VAL  96  -7.127  -4.118  -9.729
  776   3HG2  VAL  96          3HG2      VAL  96  -5.536  -3.876 -10.450
  777    H    LEU  97           H        LEU  97  -8.837  -7.930 -10.894
  778    HA   LEU  97           HA       LEU  97  -7.446 -10.077 -11.965
  779   1HB   LEU  97          2HB       LEU  97  -9.945  -9.643 -10.708
  780   2HB   LEU  97          1HB       LEU  97 -10.249 -10.597 -12.148
  781    HG   LEU  97           HG       LEU  97  -8.597 -12.262 -11.388
  782   1HD1  LEU  97          1HD1      LEU  97  -7.378 -12.095  -9.458
  783   2HD1  LEU  97          2HD1      LEU  97  -8.527 -10.996  -8.694
  784   3HD1  LEU  97          3HD1      LEU  97  -7.433 -10.400  -9.942
  785   1HD2  LEU  97          1HD2      LEU  97 -10.039 -12.525  -9.035
  786   2HD2  LEU  97          2HD2      LEU  97 -10.464 -13.190 -10.611
  787   3HD2  LEU  97          3HD2      LEU  97 -11.115 -11.631 -10.108
  788    H    LYS  98           H        LYS  98 -10.048  -8.174 -13.487
  789    HA   LYS  98           HA       LYS  98  -9.535  -9.600 -16.002
  790   1HB   LYS  98          2HB       LYS  98 -11.886  -8.247 -14.825
  791   2HB   LYS  98          1HB       LYS  98 -11.690  -8.078 -16.564
  792   1HG   LYS  98          2HG       LYS  98 -11.479 -10.789 -15.350
  793   2HG   LYS  98          1HG       LYS  98 -13.071 -10.053 -15.546
  794   1HD   LYS  98          2HD       LYS  98 -11.321  -9.873 -17.902
  795   2HD   LYS  98          1HD       LYS  98 -11.806 -11.511 -17.455
  796   1HE   LYS  98          2HE       LYS  98 -13.350 -10.441 -19.068
  797   2HE   LYS  98          1HE       LYS  98 -14.132 -10.904 -17.557
  798   1HZ   LYS  98          1HZ       LYS  98 -14.285  -8.467 -18.715
  799   2HZ   LYS  98          2HZ       LYS  98 -13.094  -8.223 -17.540
  800   3HZ   LYS  98          3HZ       LYS  98 -14.620  -8.794 -17.089
  801    H    ASN  99           H        ASN  99  -9.411  -6.437 -14.535
  802    HA   ASN  99           HA       ASN  99  -9.254  -4.822 -16.788
  803   1HB   ASN  99          2HB       ASN  99  -9.148  -4.372 -14.115
  804   2HB   ASN  99          1HB       ASN  99  -7.471  -4.068 -14.560
  805   1HD2  ASN  99          1HD2      ASN  99 -10.460  -3.486 -16.356
  806   2HD2  ASN  99          2HD2      ASN  99 -10.239  -1.780 -16.515
  807    H    PHE 100           H        PHE 100  -6.737  -6.744 -15.228
  808    HA   PHE 100           HA       PHE 100  -4.848  -5.843 -17.295
  809   1HB   PHE 100          2HB       PHE 100  -4.487  -6.807 -14.490
  810   2HB   PHE 100          1HB       PHE 100  -3.188  -7.064 -15.650
  811    HD1  PHE 100           1HD      PHE 100  -1.501  -5.540 -15.390
  812    HD2  PHE 100           2HD      PHE 100  -5.528  -4.244 -14.930
  813    HE1  PHE 100           1HE      PHE 100  -0.715  -3.237 -15.025
  814    HE2  PHE 100           2HE      PHE 100  -4.749  -1.939 -14.565
  815    HZ   PHE 100           HZ       PHE 100  -2.340  -1.434 -14.614
  816    H    THR 101           H        THR 101  -3.133  -7.603 -17.766
  817    HA   THR 101           HA       THR 101  -4.433  -9.709 -19.121
  818    HB   THR 101           HB       THR 101  -1.577 -10.138 -18.639
  819    HG1  THR 101           1HG      THR 101  -1.402  -7.935 -18.525
  820   1HG2  THR 101          1HG2      THR 101  -1.579 -10.723 -20.839
  821   2HG2  THR 101          2HG2      THR 101  -2.681  -9.425 -21.297
  822   3HG2  THR 101          3HG2      THR 101  -3.308 -10.888 -20.536
  823    H    ASN 102           H        ASN 102  -2.908 -11.941 -18.816
  824    HA   ASN 102           HA       ASN 102  -4.111 -13.216 -16.605
  825   1HB   ASN 102          2HB       ASN 102  -3.283 -14.199 -18.861
  826   2HB   ASN 102          1HB       ASN 102  -1.732 -14.350 -18.042
  827   1HD2  ASN 102          1HD2      ASN 102  -5.018 -14.778 -16.809
  828   2HD2  ASN 102          2HD2      ASN 102  -4.812 -16.426 -16.333
  829    H    THR 103           H        THR 103  -1.873 -10.989 -16.286
  830    HA   THR 103           HA       THR 103  -0.059 -12.402 -14.505
  831    HB   THR 103           HB       THR 103   0.878 -10.679 -15.986
  832    HG1  THR 103           1HG      THR 103   1.615  -9.282 -13.991
  833   1HG2  THR 103          1HG2      THR 103  -1.354  -9.139 -14.964
  834   2HG2  THR 103          2HG2      THR 103  -0.338  -8.845 -16.375
  835   3HG2  THR 103          3HG2      THR 103   0.171  -8.273 -14.787
  836    H    GLN 104           H        GLN 104  -3.080 -11.550 -14.187
  837    HA   GLN 104           HA       GLN 104  -3.081  -9.944 -11.818
  838   1HB   GLN 104          2HB       GLN 104  -5.520 -10.668 -11.735
  839   2HB   GLN 104          1HB       GLN 104  -5.016  -9.773 -13.162
  840   1HG   GLN 104          2HG       GLN 104  -6.267 -11.454 -14.088
  841   2HG   GLN 104          1HG       GLN 104  -4.642 -12.132 -14.185
  842   1HE2  GLN 104          1HE2      GLN 104  -5.442 -14.233 -14.241
  843   2HE2  GLN 104          2HE2      GLN 104  -6.087 -15.008 -12.839
  844    H    ASN 105           H        ASN 105  -2.407 -13.185 -12.417
  845    HA   ASN 105           HA       ASN 105  -3.506 -14.325 -10.037
  846   1HB   ASN 105          2HB       ASN 105  -2.453 -15.351 -12.357
  847   2HB   ASN 105          1HB       ASN 105  -1.176 -15.690 -11.192
  848   1HD2  ASN 105          1HD2      ASN 105  -2.358 -17.788 -12.306
  849   2HD2  ASN 105          2HD2      ASN 105  -3.420 -18.579 -11.195
  850    H    LYS 106           H        LYS 106  -1.194 -12.071 -10.363
  851    HA   LYS 106           HA       LYS 106   0.457 -13.112  -8.159
  852   1HB   LYS 106          2HB       LYS 106   1.035 -11.470 -10.523
  853   2HB   LYS 106          1HB       LYS 106   1.745 -10.854  -9.037
  854   1HG   LYS 106          2HG       LYS 106   2.964 -12.854  -8.685
  855   2HG   LYS 106          1HG       LYS 106   2.075 -13.697  -9.955
  856   1HD   LYS 106          2HD       LYS 106   3.068 -12.272 -11.642
  857   2HD   LYS 106          1HD       LYS 106   3.883 -11.322 -10.398
  858   1HE   LYS 106          2HE       LYS 106   4.416 -14.148 -11.257
  859   2HE   LYS 106          1HE       LYS 106   5.529 -12.781 -11.213
  860   1HZ   LYS 106          1HZ       LYS 106   4.679 -14.557  -9.065
  861   2HZ   LYS 106          2HZ       LYS 106   4.893 -12.930  -8.654
  862   3HZ   LYS 106          3HZ       LYS 106   6.174 -13.808  -9.323
  863    H    VAL 107           H        VAL 107  -2.245 -11.722  -8.109
  864    HA   VAL 107           HA       VAL 107  -1.589  -9.282  -6.640
  865    HB   VAL 107           HB       VAL 107  -3.963  -8.783  -6.672
  866   1HG1  VAL 107          1HG1      VAL 107  -2.460  -9.372  -9.124
  867   2HG1  VAL 107          2HG1      VAL 107  -3.270  -7.890  -8.612
  868   3HG1  VAL 107          3HG1      VAL 107  -4.201  -9.197  -9.343
  869   1HG2  VAL 107          1HG2      VAL 107  -5.135 -10.642  -8.354
  870   2HG2  VAL 107          2HG2      VAL 107  -5.391 -10.497  -6.614
  871   3HG2  VAL 107          3HG2      VAL 107  -4.185 -11.622  -7.238
  872    H    LEU 108           H        LEU 108  -2.146  -8.932  -4.499
  873    HA   LEU 108           HA       LEU 108  -2.915 -11.340  -2.983
  874   1HB   LEU 108          2HB       LEU 108  -0.816  -9.288  -2.508
  875   2HB   LEU 108          1HB       LEU 108  -1.645  -9.939  -1.106
  876    HG   LEU 108           HG       LEU 108  -1.021 -12.250  -2.002
  877   1HD1  LEU 108          1HD1      LEU 108   1.058 -12.221  -3.404
  878   2HD1  LEU 108          2HD1      LEU 108   0.738 -10.516  -3.721
  879   3HD1  LEU 108          3HD1      LEU 108  -0.417 -11.742  -4.242
  880   1HD2  LEU 108          1HD2      LEU 108   1.569 -11.352  -1.389
  881   2HD2  LEU 108          2HD2      LEU 108   0.385 -12.068  -0.295
  882   3HD2  LEU 108          3HD2      LEU 108   0.457 -10.316  -0.495
  883    H    LYS 109           H        LYS 109  -3.938 -10.853  -0.853
  884    HA   LYS 109           HA       LYS 109  -5.595  -8.425  -1.001
  885   1HB   LYS 109          2HB       LYS 109  -6.664 -10.852   0.348
  886   2HB   LYS 109          1HB       LYS 109  -7.516  -9.586  -0.524
  887   1HG   LYS 109          2HG       LYS 109  -7.589 -10.833  -2.347
  888   2HG   LYS 109          1HG       LYS 109  -5.834 -11.019  -2.338
  889   1HD   LYS 109          2HD       LYS 109  -6.277 -12.788  -0.497
  890   2HD   LYS 109          1HD       LYS 109  -7.930 -12.776  -1.114
  891   1HE   LYS 109          2HE       LYS 109  -5.988 -12.937  -3.255
  892   2HE   LYS 109          1HE       LYS 109  -5.791 -14.254  -2.098
  893   1HZ   LYS 109          1HZ       LYS 109  -8.336 -13.528  -3.449
  894   2HZ   LYS 109          2HZ       LYS 109  -8.113 -14.817  -2.376
  895   3HZ   LYS 109          3HZ       LYS 109  -7.336 -14.825  -3.877
  896    H    ILE 110           H        ILE 110  -6.015  -7.341   0.904
  897    HA   ILE 110           HA       ILE 110  -4.115  -7.707   3.012
  898    HB   ILE 110           HB       ILE 110  -5.192  -5.501   2.177
  899   1HG1  ILE 110          2HG1      ILE 110  -4.989  -4.532   4.514
  900   2HG1  ILE 110          1HG1      ILE 110  -4.751  -6.180   5.085
  901   1HG2  ILE 110          1HG2      ILE 110  -7.115  -4.792   3.609
  902   2HG2  ILE 110          2HG2      ILE 110  -7.284  -6.474   4.110
  903   3HG2  ILE 110          3HG2      ILE 110  -7.502  -6.032   2.417
  904   1HD1  ILE 110          1HD1      ILE 110  -2.590  -5.894   4.716
  905   2HD1  ILE 110          2HD1      ILE 110  -2.875  -4.364   3.885
  906   3HD1  ILE 110          3HD1      ILE 110  -2.950  -5.881   2.990
  907    H    THR 111           H        THR 111  -7.129  -9.062   2.337
  908    HA   THR 111           HA       THR 111  -8.245  -9.341   4.898
  909    HB   THR 111           HB       THR 111  -8.500 -11.436   2.751
  910    HG1  THR 111           1HG      THR 111  -9.456  -8.789   2.802
  911   1HG2  THR 111          1HG2      THR 111 -10.046 -10.574   5.134
  912   2HG2  THR 111          2HG2      THR 111  -9.784 -12.190   4.480
  913   3HG2  THR 111          3HG2      THR 111 -10.960 -11.112   3.726
  914    H    ASP 112           H        ASP 112  -5.804 -11.197   3.179
  915    HA   ASP 112           HA       ASP 112  -5.675 -13.253   5.201
  916   1HB   ASP 112          2HB       ASP 112  -5.103 -13.395   2.630
  917   2HB   ASP 112          1HB       ASP 112  -3.517 -12.852   3.166
  918    H    PHE 113           H        PHE 113  -4.372 -10.146   4.763
  919    HA   PHE 113           HA       PHE 113  -2.121 -10.675   6.571
  920   1HB   PHE 113          2HB       PHE 113  -2.783  -8.400   4.715
  921   2HB   PHE 113          1HB       PHE 113  -1.582  -8.215   5.989
  922    HD1  PHE 113           1HD      PHE 113   0.171 -10.255   6.053
  923    HD2  PHE 113           2HD      PHE 113  -2.005  -8.944   2.638
  924    HE1  PHE 113           1HE      PHE 113   1.882 -11.245   4.588
  925    HE2  PHE 113           2HE      PHE 113  -0.299  -9.933   1.167
  926    HZ   PHE 113           HZ       PHE 113   1.649 -11.084   2.141
  927    H    SER 114           H        SER 114  -5.286  -9.518   6.564
  928    HA   SER 114           HA       SER 114  -4.856  -8.137   9.123
  929   1HB   SER 114          2HB       SER 114  -7.226  -7.678   7.314
  930   2HB   SER 114          1HB       SER 114  -6.670  -6.680   8.659
  931    HG   SER 114           HG       SER 114  -4.846  -6.136   7.430
  932    HA   PRO 115           HA       PRO 115  -7.237 -11.536  10.735
  933   1HB   PRO 115          2HB       PRO 115  -7.439 -10.684  13.293
  934   2HB   PRO 115          1HB       PRO 115  -5.937 -11.329  12.620
  935   1HG   PRO 115          2HG       PRO 115  -6.761  -8.480  13.030
  936   2HG   PRO 115          1HG       PRO 115  -5.197  -9.251  13.353
  937   1HD   PRO 115          2HD       PRO 115  -5.688  -7.765  11.128
  938   2HD   PRO 115          1HD       PRO 115  -4.536  -9.115  11.156
  939    H    SER 116           H        SER 116  -8.537  -9.417  13.074
  940    HA   SER 116           HA       SER 116 -11.175  -9.672  11.853
  941   1HB   SER 116          2HB       SER 116 -10.434  -8.761  14.642
  942   2HB   SER 116          1HB       SER 116 -12.055  -9.136  14.059
  943    HG   SER 116           HG       SER 116 -11.510 -11.017  14.905
  944    H    LEU 117           H        LEU 117  -9.128  -7.655  10.995
  945    HA   LEU 117           HA       LEU 117  -9.995  -5.101  11.902
  946   1HB   LEU 117          2HB       LEU 117  -7.769  -5.632  10.855
  947   2HB   LEU 117          1HB       LEU 117  -8.592  -5.744   9.310
  948    HG   LEU 117           HG       LEU 117  -9.407  -3.301   9.998
  949   1HD1  LEU 117          1HD1      LEU 117  -8.227  -3.403  12.173
  950   2HD1  LEU 117          2HD1      LEU 117  -7.693  -2.068  11.149
  951   3HD1  LEU 117          3HD1      LEU 117  -6.699  -3.518  11.300
  952   1HD2  LEU 117          1HD2      LEU 117  -8.059  -4.130   8.002
  953   2HD2  LEU 117          2HD2      LEU 117  -6.626  -3.693   8.933
  954   3HD2  LEU 117          3HD2      LEU 117  -7.810  -2.457   8.501
  955    H    ASN 118           H        ASN 118 -10.616  -6.946   8.925
  956    HA   ASN 118           HA       ASN 118 -12.062  -6.512   7.176
  957   1HB   ASN 118          2HB       ASN 118 -13.264  -7.729   9.164
  958   2HB   ASN 118          1HB       ASN 118 -14.162  -6.218   9.290
  959   1HD2  ASN 118          1HD2      ASN 118 -13.081  -8.493   6.791
  960   2HD2  ASN 118          2HD2      ASN 118 -14.566  -8.492   5.907
  961    H    TYR 119           H        TYR 119 -11.222  -4.400   6.606
  962    HA   TYR 119           HA       TYR 119 -12.909  -2.156   7.477
  963   1HB   TYR 119          2HB       TYR 119 -11.146  -0.703   7.005
  964   2HB   TYR 119          1HB       TYR 119 -10.328  -2.121   7.647
  965    HD1  TYR 119           1HD      TYR 119  -9.766   0.300   5.471
  966    HD2  TYR 119           2HD      TYR 119 -10.156  -3.935   5.395
  967    HE1  TYR 119           1HE      TYR 119  -8.377   0.216   3.449
  968    HE2  TYR 119           2HE      TYR 119  -8.765  -4.033   3.369
  969    HH   TYR 119           HH       TYR 119  -8.216  -1.658   1.401
  970    H    ASP 120           H        ASP 120 -12.783  -0.381   5.501
  971    HA   ASP 120           HA       ASP 120 -13.755  -1.795   3.107
  972   1HB   ASP 120          2HB       ASP 120 -15.036   0.416   4.665
  973   2HB   ASP 120          1HB       ASP 120 -15.309   0.315   2.928
  974    H    GLU 121           H        GLU 121 -12.320  -1.434   1.582
  975    HA   GLU 121           HA       GLU 121 -10.470  -0.377   0.586
  976   1HB   GLU 121          2HB       GLU 121 -12.654   1.455  -0.331
  977   2HB   GLU 121          1HB       GLU 121 -11.346   0.741  -1.262
  978   1HG   GLU 121          2HG       GLU 121 -12.984  -0.606  -1.997
  979   2HG   GLU 121          1HG       GLU 121 -12.624  -1.490  -0.514
  980    H    VAL 122           H        VAL 122  -9.127   0.618   2.051
  981    HA   VAL 122           HA       VAL 122  -7.968   2.346   2.964
  982    HB   VAL 122           HB       VAL 122  -9.777   4.124   1.325
  983   1HG1  VAL 122          1HG1      VAL 122  -7.384   4.605   3.000
  984   2HG1  VAL 122          2HG1      VAL 122  -8.779   5.638   2.688
  985   3HG1  VAL 122          3HG1      VAL 122  -7.504   5.487   1.479
  986   1HG2  VAL 122          1HG2      VAL 122  -8.554   3.695  -0.506
  987   2HG2  VAL 122          2HG2      VAL 122  -8.087   2.223   0.345
  988   3HG2  VAL 122          3HG2      VAL 122  -7.041   3.641   0.400
  989    HA   PRO 123           HA       PRO 123 -10.491   3.313   6.500
  990   1HB   PRO 123          2HB       PRO 123  -8.676   4.744   7.909
  991   2HB   PRO 123          1HB       PRO 123  -8.583   2.989   7.736
  992   1HG   PRO 123          2HG       PRO 123  -7.110   5.118   6.230
  993   2HG   PRO 123          1HG       PRO 123  -6.490   3.606   6.920
  994   1HD   PRO 123          2HD       PRO 123  -7.075   3.869   4.294
  995   2HD   PRO 123          1HD       PRO 123  -7.275   2.336   5.167
  996    H    ASP 124           H        ASP 124  -9.411   5.920   7.794
  997    HA   ASP 124           HA       ASP 124  -9.949   8.121   7.895
  998   1HB   ASP 124          2HB       ASP 124  -9.295   9.186   6.045
  999   2HB   ASP 124          1HB       ASP 124  -9.364   7.666   5.158
 1000    HA   PRO 125           HA       PRO 125 -14.270   8.299   8.593
 1001   1HB   PRO 125          2HB       PRO 125 -14.841  10.942   8.127
 1002   2HB   PRO 125          1HB       PRO 125 -14.090  10.328   9.603
 1003   1HG   PRO 125          2HG       PRO 125 -12.814  11.587   7.210
 1004   2HG   PRO 125          1HG       PRO 125 -12.459  11.835   8.929
 1005   1HD   PRO 125          2HD       PRO 125 -10.912  10.278   7.385
 1006   2HD   PRO 125          1HD       PRO 125 -11.229   9.876   9.086
 1007    H    TRP 126           H        TRP 126 -13.102   9.480   5.514
 1008    HA   TRP 126           HA       TRP 126 -15.621   9.849   4.281
 1009   1HB   TRP 126          2HB       TRP 126 -13.721  10.852   3.242
 1010   2HB   TRP 126          1HB       TRP 126 -12.869   9.314   3.158
 1011    HD1  TRP 126           HD       TRP 126 -13.201   7.885   1.019
 1012    HE1  TRP 126           1HE      TRP 126 -14.592   8.153  -1.131
 1013    HE3  TRP 126           3HE      TRP 126 -16.091  11.867   2.411
 1014    HZ2  TRP 126           2HZ      TRP 126 -16.641   9.829  -2.107
 1015    HZ3  TRP 126           3HZ      TRP 126 -17.742  12.743   0.809
 1016    HH2  TRP 126           HH       TRP 126 -18.010  11.744  -1.403
 1017    H    TYR 127           H        TYR 127 -13.743   7.057   5.029
 1018    HA   TYR 127           HA       TYR 127 -15.491   5.379   3.363
 1019   1HB   TYR 127          2HB       TYR 127 -12.735   4.934   4.487
 1020   2HB   TYR 127          1HB       TYR 127 -13.717   3.600   3.895
 1021    HD1  TYR 127           1HD      TYR 127 -14.644   3.872   1.463
 1022    HD2  TYR 127           2HD      TYR 127 -11.332   6.047   3.012
 1023    HE1  TYR 127           1HE      TYR 127 -13.857   4.294  -0.826
 1024    HE2  TYR 127           2HE      TYR 127 -10.535   6.484   0.725
 1025    HH   TYR 127           HH       TYR 127 -12.351   6.196  -1.937
 1026    H    SER 128           H        SER 128 -13.841   5.220   6.535
 1027    HA   SER 128           HA       SER 128 -15.841   3.360   7.505
 1028   1HB   SER 128          2HB       SER 128 -13.776   4.529   9.316
 1029   2HB   SER 128          1HB       SER 128 -14.388   2.878   9.224
 1030    HG   SER 128           HG       SER 128 -13.037   2.447   7.596
 1031    H    GLY 129           H        GLY 129 -14.580   6.514   8.640
 1032   1HA   GLY 129          2HA       GLY 129 -16.629   8.092   8.929
 1033   2HA   GLY 129          1HA       GLY 129 -17.092   6.886  10.117
 1034    H    ASN 130           H        ASN 130 -13.839   6.884  10.317
 1035    HA   ASN 130           HA       ASN 130 -13.696   9.222  12.085
 1036   1HB   ASN 130          2HB       ASN 130 -14.141   6.826  13.189
 1037   2HB   ASN 130          1HB       ASN 130 -12.388   6.730  13.047
 1038   1HD2  ASN 130          1HD2      ASN 130 -11.273   8.828  13.786
 1039   2HD2  ASN 130          2HD2      ASN 130 -11.822   9.464  15.296
 1040    H    PHE 131           H        PHE 131 -11.524   9.892  12.613
 1041    HA   PHE 131           HA       PHE 131  -9.733   9.552  10.368
 1042   1HB   PHE 131          2HB       PHE 131  -8.856  11.112  12.733
 1043   2HB   PHE 131          1HB       PHE 131  -8.748  11.506  11.022
 1044    HD1  PHE 131           1HD      PHE 131 -10.622  12.553   9.868
 1045    HD2  PHE 131           2HD      PHE 131 -10.764  11.738  14.043
 1046    HE1  PHE 131           1HE      PHE 131 -12.537  14.081  10.097
 1047    HE2  PHE 131           2HE      PHE 131 -12.682  13.262  14.279
 1048    HZ   PHE 131           HZ       PHE 131 -13.570  14.436  12.304
 1049    H    ASP 132           H        ASP 132 -10.172   8.113  13.399
 1050    HA   ASP 132           HA       ASP 132  -7.433   7.502  13.967
 1051   1HB   ASP 132          2HB       ASP 132  -9.197   7.619  15.719
 1052   2HB   ASP 132          1HB       ASP 132  -9.933   6.172  15.034
 1053    H    GLU 133           H        GLU 133  -9.911   6.094  12.008
 1054    HA   GLU 133           HA       GLU 133  -9.081   3.432  11.925
 1055   1HB   GLU 133          2HB       GLU 133 -10.052   4.812   9.447
 1056   2HB   GLU 133          1HB       GLU 133 -10.391   3.182  10.013
 1057   1HG   GLU 133          2HG       GLU 133 -11.444   5.717  11.226
 1058   2HG   GLU 133          1HG       GLU 133 -12.343   4.626  10.177
 1059    H    THR 134           H        THR 134  -7.962   6.260  10.156
 1060    HA   THR 134           HA       THR 134  -6.358   5.183   8.234
 1061    HB   THR 134           HB       THR 134  -5.208   7.432   9.819
 1062    HG1  THR 134           1HG      THR 134  -6.974   8.577   9.655
 1063   1HG2  THR 134          1HG2      THR 134  -5.738   7.655   6.935
 1064   2HG2  THR 134          2HG2      THR 134  -4.635   6.359   7.394
 1065   3HG2  THR 134          3HG2      THR 134  -4.277   8.024   7.852
 1066    H    TYR 135           H        TYR 135  -5.288   5.935  11.558
 1067    HA   TYR 135           HA       TYR 135  -2.728   4.802  11.265
 1068   1HB   TYR 135          2HB       TYR 135  -3.915   6.300  13.176
 1069   2HB   TYR 135          1HB       TYR 135  -3.946   4.724  13.957
 1070    HD1  TYR 135           1HD      TYR 135  -2.250   4.525  15.501
 1071    HD2  TYR 135           2HD      TYR 135  -1.444   6.525  11.833
 1072    HE1  TYR 135           1HE      TYR 135   0.094   4.818  16.183
 1073    HE2  TYR 135           2HE      TYR 135   0.902   6.821  12.503
 1074    HH   TYR 135           HH       TYR 135   2.009   6.025  15.722
 1075    H    LYS 136           H        LYS 136  -5.758   3.458  12.527
 1076    HA   LYS 136           HA       LYS 136  -4.814   1.040  13.484
 1077   1HB   LYS 136          2HB       LYS 136  -7.247   2.177  13.308
 1078   2HB   LYS 136          1HB       LYS 136  -7.400   0.959  12.049
 1079   1HG   LYS 136          2HG       LYS 136  -6.780  -0.774  13.676
 1080   2HG   LYS 136          1HG       LYS 136  -6.695   0.463  14.933
 1081   1HD   LYS 136          2HD       LYS 136  -9.141   0.987  14.047
 1082   2HD   LYS 136          1HD       LYS 136  -9.059  -0.710  13.568
 1083   1HE   LYS 136          2HE       LYS 136  -8.579  -1.372  15.836
 1084   2HE   LYS 136          1HE       LYS 136  -8.487   0.313  16.347
 1085   1HZ   LYS 136          1HZ       LYS 136 -10.605  -0.525  16.966
 1086   2HZ   LYS 136          2HZ       LYS 136 -10.895  -1.151  15.422
 1087   3HZ   LYS 136          3HZ       LYS 136 -10.854   0.522  15.660
 1088    H    ILE 137           H        ILE 137  -6.183   1.599  10.229
 1089    HA   ILE 137           HA       ILE 137  -5.486  -0.991   9.293
 1090    HB   ILE 137           HB       ILE 137  -5.832   1.137   7.276
 1091   1HG1  ILE 137          2HG1      ILE 137  -7.347   1.973   8.983
 1092   2HG1  ILE 137          1HG1      ILE 137  -8.266   1.287   7.652
 1093   1HG2  ILE 137          1HG2      ILE 137  -6.663  -0.533   6.037
 1094   2HG2  ILE 137          2HG2      ILE 137  -7.627  -1.179   7.365
 1095   3HG2  ILE 137          3HG2      ILE 137  -5.909  -1.566   7.251
 1096   1HD1  ILE 137          1HD1      ILE 137  -8.962   0.823  10.106
 1097   2HD1  ILE 137          2HD1      ILE 137  -7.674  -0.383  10.049
 1098   3HD1  ILE 137          3HD1      ILE 137  -9.022  -0.479   8.914
 1099    H    LEU 138           H        LEU 138  -4.098   2.225   8.599
 1100    HA   LEU 138           HA       LEU 138  -2.099   1.416   6.862
 1101   1HB   LEU 138          2HB       LEU 138  -2.503   3.739   8.648
 1102   2HB   LEU 138          1HB       LEU 138  -0.867   3.468   8.086
 1103    HG   LEU 138           HG       LEU 138  -1.933   5.035   6.618
 1104   1HD1  LEU 138          1HD1      LEU 138  -0.454   3.212   5.680
 1105   2HD1  LEU 138          2HD1      LEU 138  -1.526   4.017   4.536
 1106   3HD1  LEU 138          3HD1      LEU 138  -1.935   2.415   5.148
 1107   1HD2  LEU 138          1HD2      LEU 138  -4.045   2.962   6.059
 1108   2HD2  LEU 138          2HD2      LEU 138  -3.972   4.618   5.456
 1109   3HD2  LEU 138          3HD2      LEU 138  -4.264   4.316   7.168
 1110    H    SER 139           H        SER 139  -1.753   1.951  10.371
 1111    HA   SER 139           HA       SER 139   0.893   1.104  10.564
 1112   1HB   SER 139          2HB       SER 139   0.650   1.294  12.849
 1113   2HB   SER 139          1HB       SER 139  -0.711   2.271  12.296
 1114    HG   SER 139           HG       SER 139  -2.013   0.357  12.552
 1115    H    LEU 140           H        LEU 140  -2.094  -0.798  11.078
 1116    HA   LEU 140           HA       LEU 140  -0.733  -3.185  11.747
 1117   1HB   LEU 140          2HB       LEU 140  -3.196  -2.544  12.123
 1118   2HB   LEU 140          1HB       LEU 140  -3.454  -3.107  10.482
 1119    HG   LEU 140           HG       LEU 140  -2.215  -5.267  11.420
 1120   1HD1  LEU 140          1HD1      LEU 140  -2.876  -3.704  13.786
 1121   2HD1  LEU 140          2HD1      LEU 140  -1.816  -5.101  13.608
 1122   3HD1  LEU 140          3HD1      LEU 140  -3.551  -5.334  13.816
 1123   1HD2  LEU 140          1HD2      LEU 140  -4.505  -6.143  12.015
 1124   2HD2  LEU 140          2HD2      LEU 140  -4.353  -5.409  10.418
 1125   3HD2  LEU 140          3HD2      LEU 140  -5.109  -4.510  11.733
 1126    H    ALA 141           H        ALA 141  -2.424  -2.344   8.721
 1127    HA   ALA 141           HA       ALA 141  -1.715  -4.571   7.251
 1128   1HB   ALA 141          1HB       ALA 141  -1.957  -1.857   6.000
 1129   2HB   ALA 141          2HB       ALA 141  -3.352  -2.707   6.667
 1130   3HB   ALA 141          3HB       ALA 141  -2.430  -3.424   5.345
 1131    H    CYS 142           H        CYS 142   0.025  -1.448   7.388
 1132    HA   CYS 142           HA       CYS 142   2.062  -2.196   5.591
 1133   1HB   CYS 142          2HB       CYS 142   1.542   0.146   6.251
 1134   2HB   CYS 142          1HB       CYS 142   2.251  -0.173   7.829
 1135    HG   CYS 142           HG       CYS 142   4.403  -1.015   5.493
 1136    H    LYS 143           H        LYS 143   1.870  -2.407   9.128
 1137    HA   LYS 143           HA       LYS 143   4.518  -3.210   9.589
 1138   1HB   LYS 143          2HB       LYS 143   1.982  -3.271  11.099
 1139   2HB   LYS 143          1HB       LYS 143   3.187  -4.447  11.604
 1140   1HG   LYS 143          2HG       LYS 143   4.750  -2.296  11.496
 1141   2HG   LYS 143          1HG       LYS 143   3.208  -1.496  11.807
 1142   1HD   LYS 143          2HD       LYS 143   2.869  -2.923  13.769
 1143   2HD   LYS 143          1HD       LYS 143   4.413  -3.718  13.457
 1144   1HE   LYS 143          2HE       LYS 143   5.463  -1.414  13.626
 1145   2HE   LYS 143          1HE       LYS 143   3.918  -0.866  14.271
 1146   1HZ   LYS 143          1HZ       LYS 143   4.128  -2.367  16.097
 1147   2HZ   LYS 143          2HZ       LYS 143   5.564  -1.478  15.991
 1148   3HZ   LYS 143          3HZ       LYS 143   5.517  -3.076  15.439
 1149    H    ASN 144           H        ASN 144   1.610  -5.281   9.567
 1150    HA   ASN 144           HA       ASN 144   2.891  -7.731   9.668
 1151   1HB   ASN 144          2HB       ASN 144   0.281  -6.902   9.492
 1152   2HB   ASN 144          1HB       ASN 144   0.512  -7.710   7.946
 1153   1HD2  ASN 144          1HD2      ASN 144  -1.250  -8.652   9.838
 1154   2HD2  ASN 144          2HD2      ASN 144  -0.673 -10.158  10.457
 1155    H    LEU 145           H        LEU 145   1.913  -5.885   6.789
 1156    HA   LEU 145           HA       LEU 145   2.831  -7.742   4.893
 1157   1HB   LEU 145          2HB       LEU 145   1.713  -6.298   3.623
 1158   2HB   LEU 145          1HB       LEU 145   1.727  -5.099   4.898
 1159    HG   LEU 145           HG       LEU 145   4.152  -4.610   4.022
 1160   1HD1  LEU 145          1HD1      LEU 145   3.726  -6.647   2.379
 1161   2HD1  LEU 145          2HD1      LEU 145   4.700  -5.253   1.911
 1162   3HD1  LEU 145          3HD1      LEU 145   3.019  -5.370   1.389
 1163   1HD2  LEU 145          1HD2      LEU 145   1.498  -3.695   3.136
 1164   2HD2  LEU 145          2HD2      LEU 145   2.849  -3.253   2.092
 1165   3HD2  LEU 145          3HD2      LEU 145   2.856  -2.782   3.792
 1166    H    LEU 146           H        LEU 146   4.464  -5.229   6.697
 1167    HA   LEU 146           HA       LEU 146   6.825  -5.120   5.154
 1168   1HB   LEU 146          2HB       LEU 146   7.197  -3.427   6.543
 1169   2HB   LEU 146          1HB       LEU 146   5.817  -3.912   7.507
 1170    HG   LEU 146           HG       LEU 146   7.679  -5.607   8.488
 1171   1HD1  LEU 146          1HD1      LEU 146   9.191  -3.082   7.841
 1172   2HD1  LEU 146          2HD1      LEU 146   9.423  -4.630   7.028
 1173   3HD1  LEU 146          3HD1      LEU 146   9.784  -4.473   8.747
 1174   1HD2  LEU 146          1HD2      LEU 146   6.165  -3.978   9.669
 1175   2HD2  LEU 146          2HD2      LEU 146   7.424  -2.765   9.439
 1176   3HD2  LEU 146          3HD2      LEU 146   7.754  -4.206  10.399
 1177    H    VAL 147           H        VAL 147   5.816  -7.150   7.846
 1178    HA   VAL 147           HA       VAL 147   8.335  -8.376   8.287
 1179    HB   VAL 147           HB       VAL 147   5.644  -9.597   8.896
 1180   1HG1  VAL 147          1HG1      VAL 147   7.169 -11.227   9.409
 1181   2HG1  VAL 147          2HG1      VAL 147   7.134 -10.340  10.933
 1182   3HG1  VAL 147          3HG1      VAL 147   8.446 -10.070   9.785
 1183   1HG2  VAL 147          1HG2      VAL 147   5.693  -7.302   9.729
 1184   2HG2  VAL 147          2HG2      VAL 147   7.217  -7.627  10.555
 1185   3HG2  VAL 147          3HG2      VAL 147   5.746  -8.461  11.055
 1186    H    PHE 148           H        PHE 148   5.416  -9.540   6.587
 1187    HA   PHE 148           HA       PHE 148   6.574 -11.944   5.677
 1188   1HB   PHE 148          2HB       PHE 148   4.055 -10.905   5.666
 1189   2HB   PHE 148          1HB       PHE 148   4.482 -10.772   3.963
 1190    HD1  PHE 148           1HD      PHE 148   3.932 -12.542   2.618
 1191    HD2  PHE 148           2HD      PHE 148   4.746 -13.266   6.731
 1192    HE1  PHE 148           1HE      PHE 148   3.397 -14.923   2.300
 1193    HE2  PHE 148           2HE      PHE 148   4.215 -15.648   6.420
 1194    HZ   PHE 148           HZ       PHE 148   3.539 -16.480   4.203
 1195    H    LEU 149           H        LEU 149   6.194  -8.786   4.093
 1196    HA   LEU 149           HA       LEU 149   7.261  -9.515   1.605
 1197   1HB   LEU 149          2HB       LEU 149   5.998  -7.415   2.074
 1198   2HB   LEU 149          1HB       LEU 149   7.399  -6.805   2.934
 1199    HG   LEU 149           HG       LEU 149   6.927  -6.111   0.448
 1200   1HD1  LEU 149          1HD1      LEU 149   9.311  -6.393   2.045
 1201   2HD1  LEU 149          2HD1      LEU 149   8.822  -5.086   0.967
 1202   3HD1  LEU 149          3HD1      LEU 149   9.673  -6.490   0.322
 1203   1HD2  LEU 149          1HD2      LEU 149   7.074  -8.732  -0.049
 1204   2HD2  LEU 149          2HD2      LEU 149   8.775  -8.313  -0.247
 1205   3HD2  LEU 149          3HD2      LEU 149   7.550  -7.505  -1.224
 1206    H    SER 150           H        SER 150   8.813  -8.462   4.585
 1207    HA   SER 150           HA       SER 150  11.435  -8.480   3.310
 1208   1HB   SER 150          2HB       SER 150  12.215  -7.287   5.118
 1209   2HB   SER 150          1HB       SER 150  10.514  -6.824   5.173
 1210    HG   SER 150           HG       SER 150  11.438  -7.544   7.210
 1211    H    LYS 151           H        LYS 151   9.513 -10.827   4.201
 1212    HA   LYS 151           HA       LYS 151   9.743 -12.992   4.843
 1213   1HB   LYS 151          2HB       LYS 151  11.789 -12.607   3.231
 1214   2HB   LYS 151          1HB       LYS 151  12.724 -12.785   4.710
 1215   1HG   LYS 151          2HG       LYS 151  11.273 -14.948   5.001
 1216   2HG   LYS 151          1HG       LYS 151  11.075 -14.789   3.255
 1217   1HD   LYS 151          2HD       LYS 151  13.245 -15.291   2.827
 1218   2HD   LYS 151          1HD       LYS 151  13.827 -14.509   4.297
 1219   1HE   LYS 151          2HE       LYS 151  13.349 -16.374   5.619
 1220   2HE   LYS 151          1HE       LYS 151  12.254 -17.058   4.417
 1221   1HZ   LYS 151          1HZ       LYS 151  14.223 -17.390   2.972
 1222   2HZ   LYS 151          2HZ       LYS 151  14.268 -18.300   4.397
 1223   3HZ   LYS 151          3HZ       LYS 151  15.213 -16.905   4.255
 1224    H    HIS 152           H        HIS 152   9.085 -13.050   6.924
 1225    HA   HIS 152           HA       HIS 152  10.382 -11.952   9.131
 1226   1HB   HIS 152          2HB       HIS 152   9.023 -13.624  10.463
 1227   2HB   HIS 152          1HB       HIS 152   8.102 -12.596   9.370
 1228    HD1  HIS 152           1HD      HIS 152   8.902 -16.117  10.101
 1229    HD2  HIS 152           2HD      HIS 152   7.120 -13.947   7.038
 1230    HE1  HIS 152           1HE      HIS 152   7.693 -17.813   8.692
 1231    HE2  HIS 152           2HE      HIS 152   6.666 -16.485   6.813
 1232    H    HIS 153           H        HIS 153  11.646 -12.873  10.788
 1233    HA   HIS 153           HA       HIS 153  12.747 -15.514  10.510
 1234   1HB   HIS 153          2HB       HIS 153  14.070 -13.384   9.194
 1235   2HB   HIS 153          1HB       HIS 153  15.037 -13.782  10.611
 1236    HD1  HIS 153           1HD      HIS 153  16.376 -15.923  10.542
 1237    HD2  HIS 153           2HD      HIS 153  13.767 -15.540   7.330
 1238    HE1  HIS 153           1HE      HIS 153  16.987 -17.775   8.954
 1239    HE2  HIS 153           2HE      HIS 153  15.442 -17.479   6.985
 1240    H    HIS 154           H        HIS 154  11.383 -14.896  12.587
 1241    HA   HIS 154           HA       HIS 154  13.258 -13.990  14.670
 1242   1HB   HIS 154          2HB       HIS 154  11.134 -12.675  14.372
 1243   2HB   HIS 154          1HB       HIS 154  10.243 -14.113  14.858
 1244    HD1  HIS 154           1HD      HIS 154  13.082 -14.238  16.918
 1245    HD2  HIS 154           2HD      HIS 154   9.677 -11.857  16.879
 1246    HE1  HIS 154           1HE      HIS 154  12.894 -13.297  19.242
 1247    HE2  HIS 154           2HE      HIS 154  10.863 -11.807  19.177
 1248    H    HIS 155           H        HIS 155  10.273 -15.866  14.965
 1249    HA   HIS 155           HA       HIS 155  11.850 -18.110  16.036
 1250   1HB   HIS 155          2HB       HIS 155  10.838 -16.831  17.886
 1251   2HB   HIS 155          1HB       HIS 155   9.249 -17.045  17.159
 1252    HD1  HIS 155           1HD      HIS 155  12.007 -19.566  17.907
 1253    HD2  HIS 155           2HD      HIS 155   7.985 -18.875  18.688
 1254    HE1  HIS 155           1HE      HIS 155  11.225 -21.562  19.220
 1255    HE2  HIS 155           2HE      HIS 155   8.797 -21.103  19.719
 1256    H    HIS 156           H        HIS 156  11.623 -19.672  14.568
 1257    HA   HIS 156           HA       HIS 156   8.913 -20.248  13.563
 1258   1HB   HIS 156          2HB       HIS 156  11.091 -19.540  12.040
 1259   2HB   HIS 156          1HB       HIS 156  11.133 -21.299  11.961
 1260    HD1  HIS 156           1HD      HIS 156   8.322 -22.128  11.621
 1261    HD2  HIS 156           2HD      HIS 156   9.805 -18.680   9.837
 1262    HE1  HIS 156           1HE      HIS 156   6.779 -21.652   9.694
 1263    HE2  HIS 156           2HE      HIS 156   7.740 -19.605   8.583