*HEADER    METAL BINDING PROTEIN                   30-JUN-02   1M3V              
*TITLE     FLIN4: FUSION OF THE LIM BINDING DOMAIN OF LDB1 AND THE N-            
*TITLE    2 TERMINAL LIM DOMAIN OF LMO4                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FUSION OF THE LIM INTERACTING DOMAIN OF LDB1 AND           
*COMPND   3 THE N-TERMINAL LIM DOMAIN OF LMO4;                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: FLIN4;                                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: FUSION PROTEIN COMPRISES LIM DOMAIN                   
*COMPND   9 TRANSCRIPTION FACTOR LMO4 (RESIDUES 16-86) VIA GLYCINE-              
*COMPND  10 RICH LINKER (GGSGGHMGSGG), LIM DOMAIN-BINDING PROTEIN 1              
*COMPND  11 (RESIDUES 300-339).                                                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    LIM DOMAIN, FUSION PROTEIN, LMO PROTEINS, LDB1                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.E.DEANE, J.P.MACKAY, A.H.Y.KWAN, E.Y.SUM, J.E.VISVADER,             
*AUTHOR   2 J.M.MATTHEWS                                                         
*REVDAT   1   13-MAY-03 1M3V    0                                                

 ASSI {  153}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      6.171 CV     1
 ASSI {  154}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      5.598 CV     1
 ASSI {  155}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.574 ppm2      5.673 CV     1
 ASSI {  157}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.896 ppm2      5.600 CV     1
 ASSI {  158}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      5.390 CV     1
 ASSI {  160}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.158 ppm2      9.573 CV     1
 ASSI {  162}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.217 ppm2      9.208 CV     1
 ASSI {  163}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      9.117 CV     1
 ASSI {  164}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      9.063 CV     1
 ASSI {  165}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.465 ppm2      8.968 CV     1
 ASSI {  166}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.944 ppm2      9.151 CV     1
 ASSI {  168}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.671 ppm2      9.133 CV     1
 ASSI {  175}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.627 ppm2      8.810 CV     1
 ASSI {  176}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      8.670 CV     1
 ASSI {  177}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.435 ppm2      8.661 CV     1
 ASSI {  180}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.059 ppm2      8.844 CV     1
 ASSI {  182}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.419 ppm2      8.569 CV     1
 ASSI {  183}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      8.492 CV     1
 ASSI {  186}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.559 ppm2      8.369 CV     1
 ASSI {  188}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.510 ppm2      8.391 CV     1
 ASSI {  193}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.622 ppm2      8.301 CV     1
 ASSI {  196}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.093 ppm2      8.085 CV     1
 ASSI {  197}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.052 ppm2      7.754 CV     1
 ASSI {  198}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.278 ppm2      7.793 CV     1
 ASSI {  199}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.387 ppm2      7.877 CV     1
 ASSI {  207}
   (( segid "    " and resid 118  and name HA2 ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.950 ppm2      8.295 CV     1
 OR {  207}
   (( segid "    " and resid 118  and name HA1 ))
   (( segid "    " and resid 118  and name HN  ))
 ASSI {  208}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.973 ppm2      8.275 CV     1
 OR {  208}
   (( segid "    " and resid 95   and name HA1 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI {  213}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      8.259 CV     1
 ASSI {  214}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.128 ppm2      8.191 CV     1
 ASSI {  215}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      8.131 CV     1
 ASSI {  217}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      7.983 CV     1
 ASSI {  219}
   (( segid "    " and resid 122  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      7.915 CV     1
 ASSI {  220}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      7.816 CV     1
 ASSI {  222}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      7.882 CV     1
 ASSI {  223}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.255 ppm2      8.133 CV     1
 ASSI {  224}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      8.242 CV     1
 ASSI {  227}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.850 ppm2      7.866 CV     1
 ASSI {  229}
   (( segid "    " and resid 88   and name HA2 ))
   (( segid "    " and resid 88   and name HN  ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.950 ppm2      8.418 CV     1
 OR {  229}
   (( segid "    " and resid 88   and name HA1 ))
   (( segid "    " and resid 88   and name HN  ))
 ASSI {  231}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      8.246 CV     1
 ASSI {  232}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.427 ppm2      8.124 CV     1
 ASSI {  234}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      7.857 CV     1
 ASSI {  235}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.445 ppm2      7.609 CV     1
 ASSI {  236}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      7.736 CV     1
 ASSI {  238}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.249 ppm2      8.212 CV     1
 ASSI {  239}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.618 ppm2      8.166 CV     1
 ASSI {  240}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      8.113 CV     1
 ASSI {  242}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.581 ppm2      7.206 CV     1
 ASSI {  243}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.519 ppm2      7.115 CV     1
 ASSI {  248}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      6.672 CV     1
 ASSI {  250}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      6.963 CV     1
 ASSI {  253}
   (  segid "    " and resid 23   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.021 ppm2      8.968 CV     1
 ASSI {  254}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HB% )
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      1.025 CV     1
 ASSI {  257}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB3 ))
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.942 ppm2      1.618 CV     1
 OR {  257}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
 ASSI {  258}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      9.152 CV     1
 OR {  258}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI {  260}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      9.117 CV     1
 ASSI {  262}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.572 ppm2      8.932 CV     1
 ASSI {  264}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.576 ppm2      3.564 CV     1
 ASSI {  266}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      8.810 CV     1
 ASSI {  268}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.627 ppm2      3.189 CV     1
 ASSI {  269}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HB3 ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      2.436 CV     1
 ASSI {  272}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.439 ppm2      1.926 CV     1
 OR {  272}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB3 ))
 ASSI {  273}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.438 ppm2      2.003 CV     1
 OR {  273}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG3 ))
 ASSI {  274}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      8.663 CV     1
 OR {  274}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI {  275}
   (( segid "    " and resid 109  and name HG3 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      8.663 CV     1
 OR {  275}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI {  276}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.591 ppm2      8.930 CV     1
 ASSI {  277}
   (( segid "    " and resid 107  and name HG3 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.458 ppm2      8.930 CV     1
 ASSI {  278}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HG2 ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      1.592 CV     1
 ASSI {  279}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HG3 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      1.458 CV     1
 ASSI {  281}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB2 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      1.848 CV     1
 ASSI {  282}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      8.930 CV     1
 ASSI {  283}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.064 ppm2      2.412 CV     1
 ASSI {  284}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      8.844 CV     1
 ASSI {  285}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.085 ppm2      8.845 CV     1
 ASSI {  297}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.427 ppm2      2.577 CV     1
 ASSI {  298}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB3 ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.429 ppm2      2.428 CV     1
 ASSI {  299}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      8.124 CV     1
 ASSI {  300}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.575 ppm2      8.124 CV     1
 ASSI {  301}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.004 ppm2      7.554 CV     1
 OR {  301}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI {  302}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.337 ppm2      7.554 CV     1
 ASSI {  303}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.488 ppm2      7.206 CV     1
 ASSI {  304}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.574 ppm2      7.206 CV     1
 ASSI {  306}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.567 ppm2      7.323 CV     1
 ASSI {  307}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      3.151 CV     1
 ASSI {  308}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.100     3.100     2.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.78147E-02 ppm1      4.655 ppm2      2.983 CV     1
 ASSI {  309}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.151 ppm2      7.735 CV     1
 ASSI {  310}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.964 ppm2      7.735 CV     1
 ASSI {  311}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.447 ppm2      3.277 CV     1
 ASSI {  312}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.272 ppm2      7.611 CV     1
 ASSI {  313}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.052 ppm2      3.667 CV     1
 ASSI {  314}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.052 ppm2      3.576 CV     1
 ASSI {  315}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.571 ppm2      7.754 CV     1
 ASSI {  316}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      7.755 CV     1
 ASSI {  322}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.268 ppm2      8.166 CV     1
 OR {  322}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI {  325}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      8.166 CV     1
 ASSI {  326}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      8.166 CV     1
 ASSI {  332}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB3 ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.618 ppm2      1.897 CV     1
 ASSI {  333}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HB2 ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      2.039 CV     1
 OR {  333}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  334}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HB3 ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      1.898 CV     1
 OR {  334}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HB3 ))
 ASSI {  344}
   (( segid "    " and resid 122  and name HB2 ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      7.915 CV     1
 ASSI {  345}
   (( segid "    " and resid 122  and name HB3 ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.894 ppm2      7.914 CV     1
 ASSI {  346}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.171 ppm2      8.492 CV     1
 ASSI {  347}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      8.491 CV     1
 ASSI {  348}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.948 ppm2      8.491 CV     1
 ASSI {  349}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      8.491 CV     1
 ASSI {  350}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      2.172 CV     1
 ASSI {  351}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG3 ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.302 ppm2      2.107 CV     1
 ASSI {  352}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.302 ppm2      1.949 CV     1
 ASSI {  353}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      1.877 CV     1
 ASSI {  370}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      8.247 CV     1
 ASSI {  371}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.650 ppm2      8.247 CV     1
 ASSI {  372}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      1.654 CV     1
 ASSI {  373}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB3 ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      1.604 CV     1
 ASSI {  376}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB  ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.128 ppm2      2.028 CV     1
 ASSI {  377}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HG2%)
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.128 ppm2      0.910 CV     1
 OR {  377}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HG1%)
 ASSI {  379}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      8.191 CV     1
 ASSI {  380}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      8.191 CV     1
 OR {  380}
   (  segid "    " and resid 86   and name HG1%)
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  381}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      2.712 CV     1
 ASSI {  382}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB3 ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      2.577 CV     1
 ASSI {  393}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.621 ppm2      2.583 CV     1
 OR {  393}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  398}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.582 ppm2      8.301 CV     1
 OR {  398}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  401}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.203 ppm2      8.242 CV     1
 ASSI {  403}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      6.000     4.500     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.306 ppm2      1.218 CV     1
 ASSI {  404}
   (( segid "    " and resid 91   and name HB  ))
   (  segid "    " and resid 91   and name HG2%)
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.206 ppm2      1.218 CV     1
 ASSI {  405}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      8.260 CV     1
 ASSI {  406}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.929 ppm2      8.260 CV     1
 OR {  406}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  408}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 87   and name HG1%)
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      0.925 CV     1
 OR {  408}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI {  409}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB  ))
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      2.044 CV     1
 ASSI {  412}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.987 ppm2      7.877 CV     1
 ASSI {  413}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      7.877 CV     1
 ASSI {  414}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.384 ppm2      2.988 CV     1
 ASSI {  422}
   (( segid "    " and resid 119  and name HB  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      7.983 CV     1
 ASSI {  423}
   (( segid "    " and resid 119  and name HG12))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.380 ppm2      7.983 CV     1
 ASSI {  425}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.876 ppm2      7.983 CV     1
 ASSI {  426}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB  ))
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      1.846 CV     1
 ASSI {  427}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG12))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.180 ppm2      1.380 CV     1
 ASSI {  428}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG13))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      1.113 CV     1
 ASSI {  429}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 119  and name HG2%)
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      0.876 CV     1
 ASSI {  430}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 119  and name HD1%)
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      0.819 CV     1
 ASSI {  431}
   (( segid "    " and resid 119  and name HB  ))
   (( segid "    " and resid 119  and name HG12))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      1.381 CV     1
 ASSI {  433}
   (( segid "    " and resid 119  and name HB  ))
   (  segid "    " and resid 119  and name HG2%)
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      0.876 CV     1
 ASSI {  434}
   (( segid "    " and resid 119  and name HB  ))
   (  segid "    " and resid 119  and name HD1%)
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.845 ppm2      0.818 CV     1
 ASSI {  441}
   (  segid "    " and resid 119  and name HD1%)
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      7.982 CV     1
 ASSI {  443}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB3 ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.336 ppm2      3.004 CV     1
 OR {  443}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
 ASSI {  444}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.952 ppm2      8.490 CV     1
 ASSI {  447}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.98680E-02 ppm1      2.929 ppm2      8.489 CV     1
 ASSI {  448}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      8.489 CV     1
 ASSI {  452}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.993 ppm2      8.882 CV     1
 ASSI {  453}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.224 ppm2      8.580 CV     1
 ASSI {  454}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.399 ppm2      8.580 CV     1
 ASSI {  455}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HB% )
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.228 ppm2      1.402 CV     1
 ASSI {  463}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HG2 ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.279 ppm2      2.028 CV     1
 OR {  463}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HG3 ))
 ASSI {  464}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.279 ppm2      1.772 CV     1
 OR {  464}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB3 ))
 ASSI {  466}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      7.882 CV     1
 OR {  466}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI {  468}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.771 ppm2      7.881 CV     1
 OR {  468}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI {  470}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.508 ppm2      8.392 CV     1
 OR {  470}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI {  471}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.104 ppm2      8.391 CV     1
 ASSI {  472}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.017 ppm2      8.391 CV     1
 ASSI {  474}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG3 ))
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.510 ppm2      2.507 CV     1
 OR {  474}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG2 ))
 ASSI {  476}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.509 ppm2      2.104 CV     1
 ASSI {  477}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB3 ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.509 ppm2      2.019 CV     1
 ASSI {  478}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.102 ppm2      8.030 CV     1
 ASSI {  480}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      8.030 CV     1
 OR {  480}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 84   and name HN  ))
 ASSI {  481}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB  ))
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.100 ppm2      2.085 CV     1
 ASSI {  482}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HG1%)
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      0.913 CV     1
 OR {  482}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HG2%)
 ASSI {  490}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HD2 ))
      2.600     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.20076E-01 ppm1      4.618 ppm2      3.819 CV     1
 ASSI {  491}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.595 ppm2      9.359 CV     1
 ASSI {  493}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.755 ppm2     10.041 CV     1
 ASSI {  496}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      2.596 CV     1
 ASSI {  498}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.895 ppm2      9.360 CV     1
 ASSI {  499}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.35061E-01 ppm1      4.464 ppm2     10.041 CV     1
 ASSI {  500}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      2.279 CV     1
 ASSI {  502}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2     10.041 CV     1
 ASSI {  503}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2     10.041 CV     1
 ASSI {  504}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.21847E-01 ppm1      3.761 ppm2      8.490 CV     1
 ASSI {  540}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.417 ppm2      7.794 CV     1
 ASSI {  541}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.109 ppm2      7.793 CV     1
 ASSI {  542}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.279 ppm2      1.432 CV     1
 ASSI {  543}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      6.000     4.500     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.279 ppm2      1.107 CV     1
 ASSI {  550}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.983 ppm2      8.570 CV     1
 ASSI {  551}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      6.000     4.500     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.421 ppm2      1.093 CV     1
 ASSI {  552}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.997 ppm2      1.094 CV     1
 ASSI {  553}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB  ))
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.421 ppm2      3.991 CV     1
 ASSI {  557}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.574 ppm2      9.135 CV     1
 ASSI {  558}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.486 ppm2      5.672 CV     1
 ASSI {  559}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.491 ppm2      9.134 CV     1
 ASSI {  560}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.486 ppm2      2.575 CV     1
 ASSI {  561}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.782 ppm2      9.570 CV     1
 ASSI {  562}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      9.063 CV     1
 ASSI {  567}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.468 ppm2      2.282 CV     1
 ASSI {  568}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 90   and name HB2 ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.819 ppm2      2.281 CV     1
 ASSI {  569}
   (( segid "    " and resid 90   and name HD3 ))
   (( segid "    " and resid 90   and name HB2 ))
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.724 ppm2      2.281 CV     1
 ASSI {  572}
   (( segid "    " and resid 90   and name HD3 ))
   (( segid "    " and resid 90   and name HB3 ))
      6.000     4.500     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.724 ppm2      1.919 CV     1
 ASSI {  575}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 90   and name HB3 ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.819 ppm2      1.920 CV     1
 ASSI {  600}
   (( segid "    " and resid 90   and name HD3 ))
   (( segid "    " and resid 90   and name HG2 ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.724 ppm2      2.028 CV     1
 OR {  600}
   (( segid "    " and resid 90   and name HD3 ))
   (( segid "    " and resid 90   and name HG3 ))
 ASSI {  602}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 90   and name HG3 ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.819 ppm2      2.028 CV     1
 ASSI {  603}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG2 ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.470 ppm2      2.028 CV     1
 OR {  603}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG3 ))
 ASSI {  604}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB3 ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.468 ppm2      1.920 CV     1
 ASSI {  618}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HG3 ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.910 ppm2      1.459 CV     1
 OR {  618}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 107  and name HG3 ))
 ASSI {  623}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 107  and name HG2 ))
      6.000     4.500     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.910 ppm2      1.592 CV     1
 OR {  623}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HG2 ))
 ASSI {  624}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 107  and name HB2 ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.910 ppm2      1.849 CV     1
 OR {  624}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI {  625}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HG2 ))
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      1.594 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      7.641 CV     1
 ASSI {  640}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.295 ppm2      7.642 CV     1
 ASSI {  641}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.811 ppm2      8.933 CV     1
 ASSI {  642}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.596 ppm2      8.631 CV     1
 ASSI {  647}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.638 ppm2      1.309 CV     1
 ASSI {  649}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.565 ppm2      8.930 CV     1
 ASSI {  650}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB3 ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.625 ppm2      2.437 CV     1
 ASSI {  653}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.062 ppm2      2.098 CV     1
 ASSI {  654}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.088 ppm2      8.569 CV     1
 ASSI {  657}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HB2 ))
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.507 ppm2      2.104 CV     1
 OR {  657}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HB2 ))
 ASSI {  658}
   (( segid "    " and resid 93   and name HG2 ))
   (( segid "    " and resid 93   and name HB3 ))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.507 ppm2      2.019 CV     1
 OR {  658}
   (( segid "    " and resid 93   and name HG3 ))
   (( segid "    " and resid 93   and name HB3 ))
 ASSI {  679}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.446 ppm2      3.456 CV     1
 ASSI {  680}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.459 ppm2      7.611 CV     1
 ASSI {  685}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      6.000     4.500     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.581 ppm2      3.573 CV     1
 ASSI {  686}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      6.000     4.500     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.581 ppm2      3.488 CV     1
 ASSI {  687}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.514 ppm2      2.165 CV     1
 ASSI {  688}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      7.116 CV     1
 ASSI {  694}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB2 ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.567 ppm2      1.904 CV     1
 ASSI {  695}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.900 ppm2      7.323 CV     1
 ASSI {  697}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.250 ppm2      8.038 CV     1
 ASSI {  698}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.532 ppm2      8.038 CV     1
 ASSI {  699}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      8.039 CV     1
 ASSI {  700}
   (  segid "    " and resid 115  and name HB% )
   (( segid "    " and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.368 ppm2      8.039 CV     1
 ASSI {  701}
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 115  and name HB% )
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.139 ppm2      1.374 CV     1
 ASSI {  702}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.822 ppm2      8.284 CV     1
 ASSI {  709}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.070 ppm2      8.030 CV     1
 ASSI {  716}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG3 ))
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      2.028 CV     1
 OR {  716}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG2 ))
 ASSI {  717}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HB3 ))
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      1.921 CV     1
 ASSI {  724}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      1.483 CV     1
 ASSI {  726}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 92   and name HD1%)
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      0.779 CV     1
 ASSI {  727}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 92   and name HD2%)
      6.000     4.500     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      0.730 CV     1
 ASSI {  728}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      1.309 CV     1
 ASSI {  729}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HB3 ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.483 ppm2      1.307 CV     1
 ASSI {  730}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 92   and name HD1%)
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.481 ppm2      0.779 CV     1
 ASSI {  731}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 92   and name HD2%)
      6.000     4.500     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.482 ppm2      0.731 CV     1
 ASSI {  732}
   (( segid "    " and resid 92   and name HB3 ))
   (  segid "    " and resid 92   and name HD2%)
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      0.731 CV     1
 ASSI {  733}
   (( segid "    " and resid 92   and name HB3 ))
   (  segid "    " and resid 92   and name HD1%)
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.310 ppm2      0.780 CV     1
 ASSI {  739}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.827 ppm2      1.430 CV     1
 OR {  739}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  743}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.827 ppm2      1.063 CV     1
 OR {  743}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  748}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.827 ppm2      0.766 CV     1
 OR {  748}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG3 ))
 ASSI {  759}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.500     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.689 ppm2      8.100 CV     1
 ASSI {  764}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.041 ppm2      1.948 CV     1
 ASSI {  765}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.763 ppm2      7.561 CV     1
 ASSI {  769}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      8.349 CV     1
 ASSI {  771}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.353 ppm2      8.536 CV     1
 ASSI {  772}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.508 ppm2      8.342 CV     1
 ASSI {  777}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.378 ppm2      3.934 CV     1
 ASSI {  778}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.378 ppm2      3.878 CV     1
 ASSI {  779}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.353 ppm2      3.759 CV     1
 ASSI {  780}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.353 ppm2      3.709 CV     1
 ASSI {  808}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.963 ppm2      7.525 CV     1
 ASSI {  809}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 5    and name HZ2 ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.962 ppm2      7.458 CV     1
 ASSI {  811}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 5    and name HH2 ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.963 ppm2      7.176 CV     1
 ASSI {  812}
   (( segid "    " and resid 5    and name HH2 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.172 ppm2      7.528 CV     1
 ASSI {  813}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.195 ppm2      7.528 CV     1
 ASSI {  815}
   (( segid "    " and resid 5    and name HH2 ))
   (( segid "    " and resid 5    and name HZ2 ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.171 ppm2      7.456 CV     1
 ASSI {  816}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HZ2 ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.195 ppm2      7.458 CV     1
 ASSI {  826}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD1 ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      7.202 CV     1
 ASSI {  827}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.637 ppm2      7.527 CV     1
 ASSI {  828}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.151 ppm2      7.526 CV     1
 ASSI {  829}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HD1 ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.151 ppm2      7.201 CV     1
 ASSI {  830}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.964 ppm2      7.526 CV     1
 ASSI {  831}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HD1 ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.966 ppm2      7.201 CV     1
 ASSI {  832}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HE1 ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.194 ppm2     10.194 CV     1
 ASSI {  835}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.010 ppm2     -0.810 CV     1
 ASSI {  846}
   (  segid "    " and resid 66   and name HD% )
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.001 ppm2      7.161 CV     1
 ASSI {  852}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.409 ppm2      6.520 CV     1
 ASSI {  854}
   (  segid "    " and resid 23   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10427E-01 ppm1      1.016 ppm2     10.039 CV     1
 ASSI {  855}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2      8.491 CV     1
 ASSI {  856}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.25473E-02 ppm1      2.278 ppm2      8.491 CV     1
 ASSI {  859}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.596 ppm2      7.224 CV     1
 ASSI {  866}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.686 ppm2      7.223 CV     1
 ASSI {  867}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HE% )
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.685 ppm2      6.709 CV     1
 ASSI {  868}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.148 ppm2      7.877 CV     1
 ASSI {  874}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      7.159 CV     1
 ASSI {  875}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
      6.000     4.500     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      7.299 CV     1
 ASSI {  876}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
      6.000     4.500     0.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.987 ppm2      7.298 CV     1
 ASSI {  877}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.987 ppm2      7.158 CV     1
 ASSI {  879}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.10240E-01 ppm1      2.868 ppm2      9.281 CV     1
 ASSI {  880}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     2.800     3.200 peak   880 spectrum    1 weight  0.10000E+01 volume  0.15455E-01 ppm1      2.990 ppm2      9.280 CV     1
 ASSI {  886}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.914 ppm2      9.240 CV     1
 ASSI {  887}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      8.571 CV     1
 ASSI {  888}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.68503E-02 ppm1      2.084 ppm2      8.571 CV     1
 ASSI {  899}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.11620E-01 ppm1      3.150 ppm2      9.206 CV     1
 ASSI {  900}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.56397E-02 ppm1      2.969 ppm2      9.206 CV     1
 ASSI {  901}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 20   and name HD2%)
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.987 ppm2      0.765 CV     1
 ASSI {  906}
   (  segid "    " and resid 20   and name HD2%)
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.761 ppm2      9.280 CV     1
 ASSI {  907}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.975 ppm2      9.280 CV     1
 ASSI {  908}
   (( segid "    " and resid 20   and name HG  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.661 ppm2      9.280 CV     1
 ASSI {  909}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      9.281 CV     1
 ASSI {  910}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.20561E-01 ppm1      4.872 ppm2      8.631 CV     1
 ASSI {  914}
   (  segid "    " and resid 20   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      8.630 CV     1
 ASSI {  916}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.979 ppm2      8.631 CV     1
 ASSI {  917}
   (( segid "    " and resid 20   and name HG  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.659 ppm2      8.631 CV     1
 ASSI {  918}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   918 spectrum    1 weight  0.10000E+01 volume  0.97698E-02 ppm1      1.784 ppm2      8.631 CV     1
 ASSI {  923}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.000     1.100     1.100 peak   923 spectrum    1 weight  0.10000E+01 volume  0.92938E-02 ppm1      8.839 ppm2      9.571 CV     1
 ASSI {  924}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.700     0.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.46324E-01 ppm1      4.635 ppm2      9.571 CV     1
 ASSI {  925}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.974 ppm2      9.570 CV     1
 ASSI {  926}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.161 ppm2      9.570 CV     1
 OR {  926}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  929}
   (( segid "    " and resid 28   and name HZ2 ))
   (( segid "    " and resid 28   and name HE1 ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.120 ppm2      9.576 CV     1
 ASSI {  930}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HE1 ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.945 ppm2      9.577 CV     1
 ASSI {  931}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HE1 ))
      3.000     3.000     3.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.94114E-02 ppm1      5.597 ppm2      9.577 CV     1
 OR {  931}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 28   and name HE1 ))
 ASSI {  935}
   (  segid "    " and resid 23   and name HB% )
   (( segid "    " and resid 28   and name HE1 ))
      2.600     0.900     0.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.21446E-01 ppm1      1.016 ppm2      9.576 CV     1
 ASSI {  937}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.10059E-01 ppm1      8.486 ppm2     10.041 CV     1
 ASSI {  939}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.13493E-01 ppm1      8.926 ppm2     10.177 CV     1
 ASSI {  941}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   941 spectrum    1 weight  0.10000E+01 volume  0.75297E-02 ppm1      6.166 ppm2     10.177 CV     1
 ASSI {  942}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak   942 spectrum    1 weight  0.10000E+01 volume  0.47998E-01 ppm1      4.483 ppm2     10.177 CV     1
 ASSI {  943}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.281 ppm2     10.177 CV     1
 ASSI {  944}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.878 ppm2     10.177 CV     1
 OR {  944}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  945}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.13132E-01 ppm1      1.156 ppm2     10.177 CV     1
 ASSI {  949}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.16617E-01 ppm1      5.280 ppm2      7.950 CV     1
 ASSI {  952}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      7.945 CV     1
 ASSI {  975}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.900     0.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.21031E-01 ppm1      8.831 ppm2      9.116 CV     1
 ASSI {  976}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.900     0.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.21751E-01 ppm1      8.346 ppm2      9.115 CV     1
 ASSI {  978}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.533 ppm2      9.118 CV     1
 ASSI {  984}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   984 spectrum    1 weight  0.10000E+01 volume  0.62028E-02 ppm1      4.435 ppm2      9.280 CV     1
 ASSI {  985}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.586 ppm2      9.208 CV     1
 OR {  985}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  986}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      9.208 CV     1
 ASSI {  987}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.190 ppm2      9.206 CV     1
 ASSI {  988}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.442 ppm2      9.208 CV     1
 OR {  988}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  991}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.14763E-01 ppm1      0.230 ppm2      9.114 CV     1
 ASSI {  993}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.144 ppm2      9.115 CV     1
 ASSI {  994}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.23190E-01 ppm1      8.084 ppm2      9.115 CV     1
 ASSI {  995}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.11306E-01 ppm1      8.739 ppm2      9.116 CV     1
 ASSI {  996}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.800     1.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.25224E-02 ppm1      7.147 ppm2      9.242 CV     1
 ASSI {  999}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      9.242 CV     1
 ASSI { 1004}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      9.134 CV     1
 OR { 1004}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1005}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.961 ppm2      9.151 CV     1
 OR { 1005}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 1009}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.15926E-02 ppm1      3.470 ppm2      9.117 CV     1
 OR { 1009}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1013}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.945 ppm2      9.136 CV     1
 ASSI { 1014}
   (  segid "    " and resid 22   and name HD% )
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.33733E-02 ppm1      7.219 ppm2      9.137 CV     1
 ASSI { 1017}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.63868E-02 ppm1      0.661 ppm2      9.363 CV     1
 ASSI { 1018}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.10059E-01 ppm1      0.859 ppm2      9.362 CV     1
 ASSI { 1019}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.99026E-02 ppm1      0.953 ppm2      9.360 CV     1
 ASSI { 1020}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.83377E-02 ppm1      1.190 ppm2      9.360 CV     1
 ASSI { 1022}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.20215E-02 ppm1      4.265 ppm2      9.361 CV     1
 ASSI { 1025}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.96923E-02 ppm1      3.281 ppm2      8.572 CV     1
 OR { 1025}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1029}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.164 ppm2      8.085 CV     1
 ASSI { 1030}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      8.086 CV     1
 ASSI { 1032}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      8.086 CV     1
 ASSI { 1033}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.49105E-02 ppm1      0.404 ppm2      8.845 CV     1
 ASSI { 1062}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.65238E-02 ppm1      0.312 ppm2      7.752 CV     1
 ASSI { 1067}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.13777E-01 ppm1      4.510 ppm2      7.754 CV     1
 ASSI { 1072}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.52550E-02 ppm1      1.431 ppm2      7.879 CV     1
 ASSI { 1073}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.500     1.500 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.43474E-02 ppm1      3.571 ppm2      7.880 CV     1
 ASSI { 1074}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.66691E-02 ppm1      3.296 ppm2      7.876 CV     1
 ASSI { 1079}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.16271E-01 ppm1      4.494 ppm2      8.191 CV     1
 ASSI { 1093}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.300     1.300     1.300 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.56604E-02 ppm1      7.551 ppm2      7.878 CV     1
 ASSI { 1097}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.12105E-01 ppm1      3.354 ppm2      8.135 CV     1
 ASSI { 1098}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.875 ppm2      8.135 CV     1
 ASSI { 1100}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.59828E-02 ppm1      5.091 ppm2      8.135 CV     1
 ASSI { 1109}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 114  and name HN  ))
      6.000     4.500     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.143 ppm2      8.126 CV     1
 ASSI { 1111}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      7.735 CV     1
 OR { 1111}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1112}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.29222E-01 ppm1      4.345 ppm2      7.735 CV     1
 ASSI { 1118}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.19468E-01 ppm1      6.963 ppm2      7.608 CV     1
 ASSI { 1119}
   (  segid "    " and resid 116  and name HB% )
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.357 ppm2      8.214 CV     1
 ASSI { 1123}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      3.500     1.600     1.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.35601E-02 ppm1      7.904 ppm2      8.214 CV     1
 ASSI { 1128}
   (( segid "    " and resid 88   and name HA1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.000     1.100     1.100 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.91389E-02 ppm1      3.952 ppm2      8.166 CV     1
 OR { 1128}
   (( segid "    " and resid 88   and name HA2 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI { 1129}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      7.116 CV     1
 ASSI { 1134}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.005 ppm2      6.964 CV     1
 ASSI { 1135}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      6.962 CV     1
 ASSI { 1139}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      6.962 CV     1
 ASSI { 1143}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.200     1.200 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.87985E-02 ppm1      1.213 ppm2      6.671 CV     1
 ASSI { 1144}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.298 ppm2      6.671 CV     1
 ASSI { 1145}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      6.673 CV     1
 ASSI { 1146}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.233 ppm2      8.744 CV     1
 ASSI { 1148}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.251 ppm2      8.747 CV     1
 ASSI { 1149}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      8.745 CV     1
 ASSI { 1153}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 113  and name HN  ))
      4.100     2.100     1.900 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.14680E-02 ppm1      2.022 ppm2      7.554 CV     1
 OR { 1153}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 1155}
   (  segid "    " and resid 113  and name HD% )
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.148 ppm2      7.555 CV     1
 ASSI { 1173}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      3.800     1.800     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.24297E-02 ppm1      7.980 ppm2      8.392 CV     1
 ASSI { 1177}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.253 ppm2      8.536 CV     1
 ASSI { 1178}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      8.535 CV     1
 ASSI { 1181}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.29596E-01 ppm1      4.564 ppm2      8.537 CV     1
 ASSI { 1183}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.600     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.20561E-01 ppm1      4.428 ppm2      8.039 CV     1
 ASSI { 1184}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 110  and name HN  ))
      4.200     2.200     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.12093E-02 ppm1      0.760 ppm2      8.810 CV     1
 ASSI { 1187}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.800     0.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.22442E-01 ppm1      0.665 ppm2      9.063 CV     1
 ASSI { 1188}
   (  segid "    " and resid 23   and name HB% )
   (( segid "    " and resid 106  and name HN  ))
      3.000     1.100     1.100 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.95996E-02 ppm1      1.019 ppm2      9.063 CV     1
 ASSI { 1192}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.18900E-01 ppm1      4.353 ppm2      9.062 CV     1
 ASSI { 1194}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.001 ppm2      9.956 CV     1
 ASSI { 1195}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      9.956 CV     1
 ASSI { 1198}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.480 ppm2      7.918 CV     1
 ASSI { 1205}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.38285E-02 ppm1      8.362 ppm2      8.579 CV     1
 ASSI { 1207}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.12883E-01 ppm1      7.908 ppm2      8.583 CV     1
 ASSI { 1215}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.12859E-01 ppm1      1.165 ppm2      8.830 CV     1
 OR { 1215}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1219}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.667 ppm2      8.830 CV     1
 ASSI { 1220}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.704 ppm2      8.830 CV     1
 ASSI { 1222}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.472 ppm2      8.831 CV     1
 ASSI { 1223}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      8.829 CV     1
 ASSI { 1228}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.821 ppm2      8.933 CV     1
 ASSI { 1229}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.79116E-02 ppm1      3.113 ppm2      8.935 CV     1
 ASSI { 1230}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.483 ppm2      8.933 CV     1
 ASSI { 1231}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.48579E-02 ppm1      4.480 ppm2      8.933 CV     1
 OR { 1231}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1233}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     0.600     0.600 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.49991E-01 ppm1      6.165 ppm2      8.933 CV     1
 ASSI { 1235}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.33207E-02 ppm1      0.757 ppm2      8.882 CV     1
 ASSI { 1244}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.799 ppm2      8.930 CV     1
 ASSI { 1245}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.281 ppm2      8.930 CV     1
 ASSI { 1264}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.17406E-01 ppm1      7.001 ppm2      8.107 CV     1
 ASSI { 1265}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.783 ppm2      7.561 CV     1
 ASSI { 1266}
   (( segid "    " and resid 54   and name HA2 ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.646 ppm2      8.729 CV     1
 ASSI { 1268}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.13760E-01 ppm1      8.537 ppm2      9.192 CV     1
 ASSI { 1269}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.20409E-01 ppm1      8.128 ppm2      9.192 CV     1
 ASSI { 1270}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      9.188 CV     1
 ASSI { 1276}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.428 ppm2      8.550 CV     1
 ASSI { 1277}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      8.549 CV     1
 ASSI { 1279}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      8.580 CV     1
 ASSI { 1284}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.35227E-01 ppm1      7.907 ppm2      8.285 CV     1
 ASSI { 1286}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.90074E-02 ppm1      3.803 ppm2      8.288 CV     1
 ASSI { 1287}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.11180E-01 ppm1      3.563 ppm2      8.286 CV     1
 ASSI { 1291}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.224 ppm2      8.719 CV     1
 ASSI { 1292}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      8.719 CV     1
 ASSI { 1294}
   (  segid "    " and resid 40   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.36085E-01 ppm1      1.399 ppm2      8.721 CV     1
 ASSI { 1295}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      8.219 CV     1
 OR { 1295}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
 ASSI { 1298}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      8.219 CV     1
 ASSI { 1299}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.19966E-01 ppm1      7.317 ppm2      8.219 CV     1
 ASSI { 1301}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      3.500     1.500     1.500 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.38520E-02 ppm1      4.560 ppm2      7.323 CV     1
 ASSI { 1302}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.558 ppm2      7.323 CV     1
 ASSI { 1305}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      8.411 CV     1
 ASSI { 1307}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.211 ppm2      8.409 CV     1
 ASSI { 1309}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.819 ppm2      8.410 CV     1
 ASSI { 1310}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.897 ppm2      8.348 CV     1
 ASSI { 1314}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.242 CV     1
 ASSI { 1316}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.68254E-02 ppm1      7.598 ppm2      8.037 CV     1
 ASSI { 1318}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.780 ppm2      8.037 CV     1
 ASSI { 1319}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      8.036 CV     1
 OR { 1319}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1324}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.195 ppm2      7.865 CV     1
 ASSI { 1326}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      7.835 CV     1
 ASSI { 1331}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.26870E-02 ppm1      0.595 ppm2      8.369 CV     1
 OR { 1331}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1332}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      8.369 CV     1
 ASSI { 1335}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.35961E-01 ppm1      4.217 ppm2      8.369 CV     1
 ASSI { 1336}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      8.370 CV     1
 ASSI { 1339}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      9.115 CV     1
 ASSI { 1340}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.39406E-01 ppm1      4.353 ppm2      8.744 CV     1
 ASSI { 1341}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.921 ppm2      9.115 CV     1
 ASSI { 1343}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      9.188 CV     1
 ASSI { 1344}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      9.188 CV     1
 ASSI { 1346}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.007 ppm2      8.548 CV     1
 OR { 1346}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1348}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.855 ppm2      8.542 CV     1
 ASSI { 1349}
   (( segid "    " and resid 15   and name HG12))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.261 ppm2      8.543 CV     1
 ASSI { 1350}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.563 ppm2      8.542 CV     1
 ASSI { 1352}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      8.631 CV     1
 ASSI { 1354}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2      8.631 CV     1
 ASSI { 1355}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.194 ppm2      8.631 CV     1
 ASSI { 1357}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.39710E-02 ppm1      1.849 ppm2      9.362 CV     1
 ASSI { 1361}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.400     1.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.49575E-02 ppm1      3.956 ppm2      7.206 CV     1
 ASSI { 1362}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      7.206 CV     1
 ASSI { 1363}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.46269E-02 ppm1      3.488 ppm2      8.583 CV     1
 ASSI { 1364}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.17185E-01 ppm1      3.574 ppm2      8.583 CV     1
 ASSI { 1366}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.597 ppm2      9.134 CV     1
 ASSI { 1367}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.708 ppm2      9.134 CV     1
 ASSI { 1368}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.36874E-01 ppm1      5.671 ppm2      9.241 CV     1
 ASSI { 1370}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.29361E-02 ppm1      3.490 ppm2      9.242 CV     1
 ASSI { 1371}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.99414E-02 ppm1      0.403 ppm2      9.240 CV     1
 ASSI { 1372}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.68822E-02 ppm1      2.574 ppm2      9.241 CV     1
 ASSI { 1373}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.27686E-01 ppm1      4.997 ppm2      9.954 CV     1
 ASSI { 1374}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.788 ppm2      9.955 CV     1
 ASSI { 1375}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      8.037 CV     1
 ASSI { 1376}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.10749E-01 ppm1      4.001 ppm2      8.037 CV     1
 ASSI { 1377}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.790 ppm2      8.037 CV     1
 ASSI { 1378}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      8.036 CV     1
 ASSI { 1379}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.24130E-02 ppm1      1.632 ppm2      7.610 CV     1
 OR { 1379}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1380}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.780 ppm2      7.609 CV     1
 ASSI { 1381}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.300     1.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.58278E-02 ppm1      1.903 ppm2      7.612 CV     1
 ASSI { 1383}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      4.249 ppm2      7.610 CV     1
 ASSI { 1384}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.300     1.300 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.57974E-02 ppm1      4.449 ppm2      6.961 CV     1
 ASSI { 1386}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.38838E-01 ppm1      5.279 ppm2      8.356 CV     1
 ASSI { 1387}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      8.355 CV     1
 ASSI { 1388}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      8.355 CV     1
 ASSI { 1390}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.30786E-02 ppm1      2.811 ppm2     10.177 CV     1
 ASSI { 1391}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.150 ppm2      7.792 CV     1
 ASSI { 1392}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.109 ppm2      8.355 CV     1
 ASSI { 1393}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2      8.356 CV     1
 ASSI { 1394}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.484 ppm2      8.355 CV     1
 ASSI { 1397}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      8.417 CV     1
 ASSI { 1400}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.070 ppm2      8.417 CV     1
 ASSI { 1401}
   (( segid "    " and resid 120  and name HB3 ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.576 ppm2      8.398 CV     1
 ASSI { 1402}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.102 ppm2      8.416 CV     1
 ASSI { 1403}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.634 ppm2      8.398 CV     1
 ASSI { 1406}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.492 ppm2      8.417 CV     1
 ASSI { 1407}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.578 ppm2      8.288 CV     1
 ASSI { 1408}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.43737E-02 ppm1      3.879 ppm2      8.930 CV     1
 OR { 1408}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1411}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      7.918 CV     1
 ASSI { 1412}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.26317E-01 ppm1      4.227 ppm2      7.949 CV     1
 ASSI { 1413}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.790 ppm2      7.951 CV     1
 ASSI { 1414}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.484 ppm2      8.720 CV     1
 ASSI { 1415}
   (( segid "    " and resid 42   and name HG  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      7.949 CV     1
 ASSI { 1416}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.228 ppm2      8.721 CV     1
 ASSI { 1417}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.75173E-02 ppm1      2.781 ppm2      7.116 CV     1
 OR { 1417}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1418}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.300     1.300 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.59233E-02 ppm1      3.611 ppm2      7.560 CV     1
 ASSI { 1419}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.400     1.400 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.50959E-02 ppm1      4.026 ppm2      7.560 CV     1
 ASSI { 1420}
   (( segid "    " and resid 43   and name HA2 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.612 ppm2      9.801 CV     1
 ASSI { 1421}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.500     0.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      9.798 CV     1
 ASSI { 1422}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.155 ppm2      7.949 CV     1
 ASSI { 1423}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      7.949 CV     1
 ASSI { 1424}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      7.949 CV     1
 ASSI { 1426}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.34245E-02 ppm1      1.086 ppm2      9.801 CV     1
 ASSI { 1429}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.42519E-02 ppm1      3.792 ppm2      9.802 CV     1
 ASSI { 1431}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.211 ppm2      7.116 CV     1
 ASSI { 1432}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.36888E-02 ppm1      1.215 ppm2      7.643 CV     1
 ASSI { 1433}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.401 ppm2      7.116 CV     1
 ASSI { 1434}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.31464E-02 ppm1      1.400 ppm2      7.643 CV     1
 ASSI { 1435}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.50641E-02 ppm1      2.162 ppm2      7.643 CV     1
 ASSI { 1437}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.207 ppm2      8.342 CV     1
 ASSI { 1438}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      8.342 CV     1
 ASSI { 1439}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.215 ppm2      8.342 CV     1
 ASSI { 1440}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.29070E-02 ppm1      1.218 ppm2      7.756 CV     1
 ASSI { 1442}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.66553E-02 ppm1      3.571 ppm2      8.670 CV     1
 ASSI { 1443}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.91486E-02 ppm1      3.667 ppm2      8.670 CV     1
 ASSI { 1444}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.30592E-01 ppm1      5.052 ppm2      8.670 CV     1
 ASSI { 1445}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.509 ppm2      8.670 CV     1
 ASSI { 1446}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.374 ppm2      8.669 CV     1
 ASSI { 1447}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.13019E-01 ppm1      3.374 ppm2      8.843 CV     1
 ASSI { 1448}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.31104E-02 ppm1      3.511 ppm2      8.844 CV     1
 ASSI { 1449}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.23176E-01 ppm1      4.636 ppm2      8.848 CV     1
 ASSI { 1450}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.48330E-02 ppm1      1.090 ppm2      7.815 CV     1
 ASSI { 1451}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.59966E-02 ppm1      3.989 ppm2      7.816 CV     1
 ASSI { 1452}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.47279E-01 ppm1      5.420 ppm2      7.816 CV     1
 ASSI { 1454}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      7.817 CV     1
 ASSI { 1455}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      7.817 CV     1
 ASSI { 1457}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.823 ppm2      8.880 CV     1
 ASSI { 1459}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      8.328 CV     1
 ASSI { 1460}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      8.112 CV     1
 ASSI { 1461}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.577 ppm2      8.112 CV     1
 ASSI { 1465}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.100     1.200     1.200 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.76681E-02 ppm1      1.912 ppm2      8.328 CV     1
 ASSI { 1466}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.721 ppm2      8.349 CV     1
 ASSI { 1468}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.721 ppm2      9.117 CV     1
 ASSI { 1469}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.896 ppm2      9.117 CV     1
 ASSI { 1470}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.63564E-02 ppm1      4.354 ppm2      9.118 CV     1
 ASSI { 1471}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.472 ppm2      8.881 CV     1
 ASSI { 1472}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.66151E-02 ppm1      3.473 ppm2      8.347 CV     1
 ASSI { 1473}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.796 ppm2      8.879 CV     1
 ASSI { 1474}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      8.882 CV     1
 ASSI { 1475}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.608 ppm2      8.348 CV     1
 ASSI { 1476}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      8.348 CV     1
 ASSI { 1477}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.500     1.500 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.43377E-02 ppm1      1.993 ppm2      8.348 CV     1
 ASSI { 1478}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.50143E-02 ppm1      2.532 ppm2      8.830 CV     1
 ASSI { 1479}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.51360E-02 ppm1      3.115 ppm2      8.831 CV     1
 ASSI { 1480}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.823 ppm2      7.834 CV     1
 ASSI { 1481}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.210 ppm2      7.835 CV     1
 ASSI { 1482}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.873 ppm2      7.835 CV     1
 ASSI { 1483}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.380 ppm2      8.411 CV     1
 ASSI { 1484}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.52965E-02 ppm1      3.380 ppm2      7.836 CV     1
 ASSI { 1486}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.666 ppm2      8.411 CV     1
 ASSI { 1487}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.705 ppm2      8.411 CV     1
 ASSI { 1489}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.570 ppm2      7.834 CV     1
 ASSI { 1490}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.947 ppm2      7.835 CV     1
 ASSI { 1491}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.28849E-02 ppm1      1.945 ppm2      7.866 CV     1
 ASSI { 1492}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      7.866 CV     1
 ASSI { 1493}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.100     1.100 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.10752E-01 ppm1      0.197 ppm2      8.101 CV     1
 ASSI { 1494}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.697 ppm2      7.865 CV     1
 ASSI { 1495}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.307 ppm2      7.865 CV     1
 ASSI { 1496}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.64228E-02 ppm1      1.307 ppm2      8.101 CV     1
 ASSI { 1498}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      8.101 CV     1
 ASSI { 1499}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      8.101 CV     1
 ASSI { 1500}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.600     1.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.35933E-02 ppm1      4.688 ppm2      7.970 CV     1
 ASSI { 1501}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.967 ppm2      7.969 CV     1
 ASSI { 1502}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.749 ppm2      7.968 CV     1
 ASSI { 1505}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.500     0.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.040 ppm2      8.101 CV     1
 ASSI { 1509}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.718 ppm2      8.284 CV     1
 ASSI { 1513}
   (( segid "    " and resid 121  and name HB3 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      8.214 CV     1
 ASSI { 1515}
   (( segid "    " and resid 121  and name HB3 ))
   (( segid "    " and resid 122  and name HN  ))
      3.600     1.700     1.700 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.29707E-02 ppm1      2.585 ppm2      7.916 CV     1
 ASSI { 1516}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.611 ppm2      8.214 CV     1
 ASSI { 1517}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 122  and name HN  ))
      2.900     1.000     1.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.12436E-01 ppm1      4.612 ppm2      7.916 CV     1
 ASSI { 1518}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.712 ppm2      8.399 CV     1
 ASSI { 1519}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.713 ppm2      8.214 CV     1
 ASSI { 1521}
   (( segid "    " and resid 120  and name HB3 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.577 ppm2      8.214 CV     1
 ASSI { 1529}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.683 ppm2      8.109 CV     1
 ASSI { 1531}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.810 ppm2      8.294 CV     1
 ASSI { 1532}
   (( segid "    " and resid 117  and name HB3 ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.708 ppm2      8.295 CV     1
 ASSI { 1533}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      8.109 CV     1
 ASSI { 1534}
   (  segid "    " and resid 116  and name HB% )
   (( segid "    " and resid 117  and name HN  ))
      3.600     1.600     1.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.31768E-02 ppm1      1.358 ppm2      8.109 CV     1
 ASSI { 1535}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      4.100     2.100     1.900 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.15358E-02 ppm1      4.140 ppm2      8.213 CV     1
 ASSI { 1536}
   (  segid "    " and resid 115  and name HB% )
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.368 ppm2      8.213 CV     1
 ASSI { 1537}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 115  and name HN  ))
      6.000     4.500     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.579 ppm2      8.039 CV     1
 ASSI { 1538}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.336 ppm2      8.124 CV     1
 ASSI { 1539}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 114  and name HN  ))
      3.100     1.200     1.200 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.79863E-02 ppm1      3.007 ppm2      8.124 CV     1
 OR { 1539}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 114  and name HN  ))
 ASSI { 1540}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.900     0.900 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.21806E-01 ppm1      1.304 ppm2      8.930 CV     1
 ASSI { 1541}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      8.930 CV     1
 ASSI { 1542}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.640 ppm2      9.062 CV     1
 ASSI { 1543}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.200     0.600     0.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.62761E-01 ppm1      4.636 ppm2      8.930 CV     1
 ASSI { 1544}
   (( segid "    " and resid 107  and name HG3 ))
   (( segid "    " and resid 108  and name HN  ))
      3.700     1.700     1.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.28185E-02 ppm1      1.459 ppm2      9.152 CV     1
 ASSI { 1545}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      9.152 CV     1
 ASSI { 1546}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      4.300     2.300     1.700 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      1.847 ppm2      9.152 CV     1
 ASSI { 1547}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      9.151 CV     1
 ASSI { 1549}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 109  and name HN  ))
      3.400     1.400     1.400 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.44857E-02 ppm1      0.961 ppm2      8.662 CV     1
 OR { 1549}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 1550}
   (( segid "    " and resid 108  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      8.662 CV     1
 OR { 1550}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 1551}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.200     0.600     0.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.65736E-01 ppm1      4.944 ppm2      8.662 CV     1
 ASSI { 1552}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.300     0.700     0.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.45480E-01 ppm1      4.434 ppm2      8.808 CV     1
 ASSI { 1553}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 110  and name HN  ))
      3.600     1.600     1.600 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.32169E-02 ppm1      1.921 ppm2      8.809 CV     1
 OR { 1553}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 1554}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 110  and name HN  ))
      3.700     1.700     1.700 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.27341E-02 ppm1      2.004 ppm2      8.809 CV     1
 OR { 1554}
   (( segid "    " and resid 109  and name HG3 ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 1557}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      1.450 CV     1
 OR { 1557}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI { 1558}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      1.190 CV     1
 ASSI { 1559}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.214 ppm2      0.958 CV     1
 ASSI { 1560}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.217 ppm2      0.600 CV     1
 ASSI { 1561}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.000 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      1.450 CV     1
 OR { 1561}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR { 1561}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 1562}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     4.500     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      1.193 CV     1
 OR { 1562}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI { 1563}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      0.958 CV     1
 OR { 1563}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI { 1564}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      0.597 CV     1
 OR { 1564}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR { 1564}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 1566}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.345 ppm2      8.057 CV     1
 ASSI { 1567}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      8.057 CV     1
 OR { 1567}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1568}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      0.239 CV     1
 ASSI { 1571}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      8.547 CV     1
 ASSI { 1573}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.500     0.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.865 ppm2      1.785 CV     1
 ASSI { 1574}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG  ))
      6.000     4.500     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.866 ppm2      1.664 CV     1
 ASSI { 1575}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.866 ppm2      0.990 CV     1
 ASSI { 1577}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HD2%)
      6.000     4.500     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.866 ppm2      0.766 CV     1
 ASSI { 1578}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      5.600 CV     1
 ASSI { 1580}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.500     0.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      5.603 CV     1
 OR { 1580}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1582}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.179 ppm2      3.999 CV     1
 ASSI { 1583}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.281 ppm2      3.880 CV     1
 OR { 1583}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1585}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      3.796 CV     1
 ASSI { 1588}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      2.480 ppm2      8.582 CV     1
 ASSI { 1589}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      8.582 CV     1
 ASSI { 1590}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.57808E-02 ppm1      4.155 ppm2      8.582 CV     1
 ASSI { 1591}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.154 ppm2      2.489 CV     1
 ASSI { 1592}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     4.500     0.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      2.388 CV     1
 ASSI { 1593}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 43   and name HA2 ))
      6.000     4.500     0.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.026 ppm2      3.612 CV     1
 ASSI { 1594}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.765 ppm2      2.783 CV     1
 OR { 1594}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
 ASSI { 1595}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG12))
      6.000     4.500     0.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      1.407 CV     1
 ASSI { 1596}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG13))
      6.000     4.500     0.000 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.510 ppm2      1.215 CV     1
 ASSI { 1597}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.511 ppm2      0.955 CV     1
 ASSI { 1599}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.16092E-01 ppm1      4.621 ppm2      8.030 CV     1
 ASSI { 1600}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      8.030 CV     1
 OR { 1600}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 1601}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      8.417 CV     1
 OR { 1601}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1602}
   (( segid "    " and resid 118  and name HA2 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.950 ppm2      7.983 CV     1
 OR { 1602}
   (( segid "    " and resid 118  and name HA1 ))
   (( segid "    " and resid 119  and name HN  ))
 ASSI { 1606}
   (( segid "    " and resid 119  and name HG13))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.111 ppm2      7.983 CV     1
 ASSI { 1608}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 120  and name HN  ))
      3.000     1.100     1.100 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.93879E-02 ppm1      4.180 ppm2      8.398 CV     1
 ASSI { 1609}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      3.100     1.200     1.200 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.76625E-02 ppm1      4.636 ppm2      8.214 CV     1
 ASSI { 1610}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.613 ppm2      2.689 CV     1
 ASSI { 1611}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB3 ))
      6.000     4.500     0.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.613 ppm2      2.583 CV     1
 ASSI { 1612}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      3.900     1.900     1.900 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.21322E-02 ppm1      4.283 ppm2      7.553 CV     1
 ASSI { 1613}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HB% )
      6.000     4.500     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.249 ppm2      1.363 CV     1
 ASSI { 1614}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      8.191 CV     1
 OR { 1614}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 1615}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.909 ppm2      8.259 CV     1
 OR { 1615}
   (  segid "    " and resid 86   and name HG1%)
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 1616}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      8.259 CV     1
 ASSI { 1617}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.128 ppm2      8.259 CV     1
 ASSI { 1618}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      8.418 CV     1
 ASSI { 1619}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 88   and name HN  ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      8.418 CV     1
 ASSI { 1620}
   (  segid "    " and resid 87   and name HG1%)
   (( segid "    " and resid 88   and name HN  ))
      6.000     4.500     0.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.928 ppm2      8.417 CV     1
 OR { 1620}
   (  segid "    " and resid 87   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
 ASSI { 1621}
   (( segid "    " and resid 95   and name HA1 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      8.491 CV     1
 OR { 1621}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 1622}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.640 ppm2      4.278 CV     1
 ASSI { 1623}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.308 CV     1
 ASSI { 1624}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.909 ppm2      8.929 CV     1
 OR { 1624}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 1626}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.186 ppm2      8.809 CV     1
 ASSI { 1627}
   (( segid "    " and resid 54   and name HA2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.400     1.400 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.52467E-02 ppm1      3.649 ppm2      8.113 CV     1
 ASSI { 1628}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      8.328 CV     1
 ASSI { 1630}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.598 ppm2      8.328 CV     1
 ASSI { 1631}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      8.328 CV     1
 ASSI { 1632}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.759 ppm2      8.328 CV     1
 ASSI { 1635}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.400     1.400 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.49589E-02 ppm1      1.156 ppm2      8.933 CV     1
 OR { 1635}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1636}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      8.933 CV     1
 ASSI { 1637}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.11794E-01 ppm1      1.974 ppm2      8.933 CV     1
 ASSI { 1638}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.900     0.900 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.21681E-01 ppm1      0.598 ppm2      9.572 CV     1
 ASSI { 1639}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
      3.100     1.200     1.200 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.81731E-02 ppm1      0.783 ppm2      9.572 CV     1
 OR { 1639}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 28   and name HE1 ))
 ASSI { 1640}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      9.570 CV     1
 ASSI { 1642}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.354 ppm2      2.906 CV     1
 ASSI { 1643}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     4.500     0.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.354 ppm2      2.727 CV     1
 ASSI { 1644}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      7.835 CV     1
 ASSI { 1646}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      3.511 CV     1
 ASSI { 1647}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      3.378 CV     1
 ASSI { 1651}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.795 CV     1
 ASSI { 1652}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      8.356 CV     1
 ASSI { 1653}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     4.500     0.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.279 ppm2      1.263 CV     1
 ASSI { 1654}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.068 ppm2      7.793 CV     1
 ASSI { 1655}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.069 ppm2      8.355 CV     1
 ASSI { 1656}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG3 ))
      6.000     4.500     0.000 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.279 ppm2      1.070 CV     1
 ASSI { 1657}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.627 ppm2      7.864 CV     1
 ASSI { 1658}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     4.500     0.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      1.312 CV     1
 ASSI { 1659}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.500     0.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.849 ppm2      0.699 CV     1
 ASSI { 1660}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD2%)
      6.000     4.500     0.000 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      0.626 CV     1
 ASSI { 1661}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.500     0.000 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      0.206 CV     1
 ASSI { 1662}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.500     0.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.622 ppm2      0.200 CV     1
 ASSI { 1663}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.500     0.000 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.690 ppm2      0.199 CV     1
 ASSI { 1664}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.500     0.000 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.305 ppm2      0.196 CV     1
 ASSI { 1666}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      7.793 CV     1
 ASSI { 1671}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     4.500     0.000 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2     -0.816 CV     1
 ASSI { 1672}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      0.006 CV     1
 ASSI { 1673}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
      6.000     4.500     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      0.861 CV     1
 ASSI { 1675}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      1.742 CV     1
 ASSI { 1676}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      6.000     4.500     0.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      0.858 CV     1
 ASSI { 1677}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      0.000 CV     1
 ASSI { 1678}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     4.500     0.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2     -0.816 CV     1
 ASSI { 1679}
   (( segid "    " and resid 5    and name HZ2 ))
   (( segid "    " and resid 5    and name HE1 ))
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.445 ppm2     10.194 CV     1
 ASSI { 1680}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HE1 ))
      6.000     4.500     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.999 ppm2      7.920 CV     1
 ASSI { 1681}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HE1 ))
      6.000     4.500     0.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.914 ppm2      7.920 CV     1
 ASSI { 1682}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HE1 ))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      7.923 CV     1
 ASSI { 1690}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.687 ppm2      3.040 CV     1
 ASSI { 1691}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.14902E-01 ppm1      3.390 ppm2      7.968 CV     1
 ASSI { 1696}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     3.600     2.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.32252E-02 ppm1      3.534 ppm2      9.955 CV     1
 ASSI { 1697}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.500     0.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.000 ppm2      3.537 CV     1
 ASSI { 1702}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.17461E-02 ppm1      1.922 ppm2      8.242 CV     1
 ASSI { 1704}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     4.500     0.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      8.242 CV     1
 ASSI { 1705}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.17835E-01 ppm1      4.468 ppm2      8.242 CV     1
 ASSI { 1711}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      9.153 CV     1
 ASSI { 1712}
   (( segid "    " and resid 108  and name HG  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      8.663 CV     1
 ASSI { 1713}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.636 ppm2      8.930 CV     1
 ASSI { 1714}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      9.152 CV     1
 ASSI { 1715}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.326 ppm2      7.917 CV     1
 ASSI { 1716}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2      7.918 CV     1
 ASSI { 1717}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      8.721 CV     1
 ASSI { 1718}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.26815E-02 ppm1      2.284 ppm2      7.946 CV     1
 ASSI { 1719}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.20367E-02 ppm1      2.490 ppm2      7.947 CV     1
 ASSI { 1726}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.750 ppm2      8.287 CV     1
 ASSI { 1727}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.967 ppm2      8.287 CV     1
 ASSI { 1730}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      8.388 CV     1
 ASSI { 1731}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.414 ppm2      8.388 CV     1
 ASSI { 1733}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.657 ppm2      8.388 CV     1
 ASSI { 1734}
   (( segid "    " and resid 105  and name HG12))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.419 ppm2      8.389 CV     1
 ASSI { 1736}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      8.389 CV     1
 ASSI { 1737}
   (  segid "    " and resid 104  and name HD1%)
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.904 ppm2      8.389 CV     1
 ASSI { 1738}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      8.390 CV     1
 ASSI { 1739}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      8.390 CV     1
 ASSI { 1740}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
      3.600     1.600     1.600 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.33595E-02 ppm1      1.414 ppm2      9.065 CV     1
 ASSI { 1741}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      8.891 CV     1
 ASSI { 1742}
   (( segid "    " and resid 100  and name HG3 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.309 ppm2      8.891 CV     1
 OR { 1742}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1743}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.668 ppm2      8.887 CV     1
 ASSI { 1744}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.182 ppm2      8.890 CV     1
 ASSI { 1746}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.800     0.800 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.22692E-01 ppm1      8.208 ppm2      8.889 CV     1
 ASSI { 1748}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      3.000     1.100     1.100 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.91181E-02 ppm1      3.126 ppm2      8.503 CV     1
 OR { 1748}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 1749}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.37925E-01 ppm1      4.636 ppm2      8.504 CV     1
 ASSI { 1750}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      8.405 CV     1
 OR { 1750}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 1751}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.13975E-01 ppm1      7.833 ppm2      8.409 CV     1
 ASSI { 1772}
   (  segid "    " and resid 66   and name HE% )
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.500     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.156 ppm2      8.103 CV     1
 ASSI { 1773}
   (  segid "    " and resid 66   and name HE% )
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.159 ppm2      7.865 CV     1
 ASSI { 1774}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.34674E-02 ppm1      7.001 ppm2      7.865 CV     1
 ASSI { 1775}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.850 ppm2      7.161 CV     1
 ASSI { 1777}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HD% )
      3.500     1.500     1.500 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.40706E-02 ppm1      3.851 ppm2      7.008 CV     1
 ASSI { 1778}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.685 ppm2      7.159 CV     1
 ASSI { 1779}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD% )
      6.000     4.500     0.000 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.685 ppm2      7.010 CV     1
 ASSI { 1780}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.039 ppm2      7.159 CV     1
 ASSI { 1781}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 66   and name HD% )
      6.000     4.500     0.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.039 ppm2      7.010 CV     1
 ASSI { 1782}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.307 ppm2      7.161 CV     1
 ASSI { 1784}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.700 ppm2      7.161 CV     1
 ASSI { 1785}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 66   and name HD% )
      3.300     3.300     2.700 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.51499E-02 ppm1      0.700 ppm2      7.008 CV     1
 ASSI { 1786}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 66   and name HE% )
      4.200     2.200     1.800 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      0.628 ppm2      7.161 CV     1
 ASSI { 1787}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 66   and name HD% )
      4.800     2.900     1.200 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.57836E-03 ppm1      0.628 ppm2      7.008 CV     1
 ASSI { 1788}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 66   and name HE% )
      3.700     1.800     1.800 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.25099E-02 ppm1      0.197 ppm2      7.160 CV     1
 ASSI { 1789}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 66   and name HD% )
      3.400     1.500     1.500 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.43916E-02 ppm1      0.198 ppm2      7.008 CV     1
 ASSI { 1790}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.472 ppm2      7.865 CV     1
 ASSI { 1792}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.472 ppm2      7.161 CV     1
 ASSI { 1793}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 66   and name HD% )
      3.600     1.700     1.700 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.29457E-02 ppm1      1.473 ppm2      7.007 CV     1
 ASSI { 1796}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      6.378 CV     1
 ASSI { 1802}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.85273E-02 ppm1      8.339 ppm2      8.878 CV     1
 ASSI { 1819}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HD% )
      3.800     1.800     1.800 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.24324E-02 ppm1      4.636 ppm2      6.454 CV     1
 ASSI { 1820}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.637 ppm2      6.182 CV     1
 ASSI { 1825}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.571 ppm2      7.155 CV     1
 ASSI { 1827}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.571 ppm2      6.954 CV     1
 ASSI { 1828}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.491 ppm2      7.155 CV     1
 ASSI { 1834}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.77276E-02 ppm1      8.107 ppm2      8.736 CV     1
 ASSI { 1835}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.81551E-02 ppm1      4.153 ppm2      8.113 CV     1
 ASSI { 1836}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.154 ppm2      8.729 CV     1
 ASSI { 1837}
   (( segid "    " and resid 54   and name HA1 ))
   (( segid "    " and resid 54   and name HA2 ))
      6.000     4.500     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      3.646 CV     1
 ASSI { 1838}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      6.000     4.500     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      2.635 CV     1
 ASSI { 1839}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG3 ))
      6.000     4.500     0.000 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      2.579 CV     1
 ASSI { 1840}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      6.000     4.500     0.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.632 ppm2      1.910 CV     1
 ASSI { 1842}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB3 ))
      6.000     4.500     0.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      1.916 CV     1
 ASSI { 1843}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HB3 ))
      6.000     4.500     0.000 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.579 ppm2      1.917 CV     1
 ASSI { 1844}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.38313E-02 ppm1      8.108 ppm2      8.327 CV     1
 ASSI { 1845}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      6.000     4.500     0.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      1.761 CV     1
 ASSI { 1846}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD1%)
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      0.783 CV     1
 ASSI { 1847}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.634 ppm2      0.602 CV     1
 ASSI { 1848}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HD1%)
      6.000     4.500     0.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      0.788 CV     1
 ASSI { 1849}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
      6.000     4.500     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      0.601 CV     1
 ASSI { 1850}
   (  segid "    " and resid 56   and name HD1%)
   (  segid "    " and resid 56   and name HG2%)
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      0.594 CV     1
 ASSI { 1852}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.973 ppm2      6.171 CV     1
 ASSI { 1856}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HB2 ))
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.974 ppm2      1.781 CV     1
 ASSI { 1857}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 57   and name HD1%)
      6.000     4.500     0.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.970 ppm2      1.163 CV     1
 OR { 1857}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 1858}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HD2%)
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      1.163 CV     1
 ASSI { 1860}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      6.000     4.500     0.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.812 ppm2      2.823 CV     1
 ASSI { 1861}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HB3 ))
      6.000     4.500     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.485 ppm2      2.822 CV     1
 ASSI { 1864}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.186 ppm2      8.881 CV     1
 OR { 1864}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1868}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      6.000     4.500     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.477 ppm2      3.187 CV     1
 OR { 1868}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HD3 ))
 ASSI { 1869}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.471 ppm2      1.991 CV     1
 ASSI { 1870}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.470 ppm2      1.797 CV     1
 ASSI { 1871}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
      6.000     4.500     0.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.470 ppm2      1.607 CV     1
 ASSI { 1872}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      1.992 CV     1
 OR { 1872}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1873}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     4.500     0.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      1.797 CV     1
 OR { 1873}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI { 1874}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG2 ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      1.606 CV     1
 OR { 1874}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1875}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      6.000     4.500     0.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.904 ppm2      2.722 CV     1
 ASSI { 1879}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.113 ppm2      2.535 CV     1
 ASSI { 1880}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      2.700 CV     1
 ASSI { 1881}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     4.500     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      2.665 CV     1
 ASSI { 1882}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.12840E-01 ppm1      8.408 ppm2      8.830 CV     1
 ASSI { 1890}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.702 ppm2      6.522 CV     1
 ASSI { 1891}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.666 ppm2      6.522 CV     1
 ASSI { 1893}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      6.000     4.500     0.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.701 ppm2      6.415 CV     1
 ASSI { 1895}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 62   and name HE% )
      6.000     4.500     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.665 ppm2      6.415 CV     1
 ASSI { 1896}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB  ))
      6.000     4.500     0.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.378 ppm2      1.876 CV     1
 ASSI { 1897}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      6.000     4.500     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.379 ppm2      1.206 CV     1
 ASSI { 1898}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.380 ppm2      0.824 CV     1
 ASSI { 1899}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 63   and name HG2%)
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.878 ppm2      1.208 CV     1
 ASSI { 1900}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 63   and name HD1%)
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.878 ppm2      0.826 CV     1
 ASSI { 1901}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 63   and name HD1%)
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.207 ppm2      0.826 CV     1
 ASSI { 1902}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      1.945 CV     1
 ASSI { 1903}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      6.000     4.500     0.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      1.868 CV     1
 ASSI { 1904}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      6.000     4.500     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      1.571 CV     1
 ASSI { 1905}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG2 ))
      6.000     4.500     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.946 ppm2      1.571 CV     1
 ASSI { 1906}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HG2 ))
      6.000     4.500     0.000 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      1.571 CV     1
 ASSI { 1909}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.700     1.700 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.29900E-02 ppm1      1.869 ppm2      7.866 CV     1
 ASSI { 1910}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG  ))
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      1.467 CV     1
 ASSI { 1911}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.473 ppm2      0.198 CV     1
 ASSI { 1912}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 65   and name HD2%)
      6.000     4.500     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      0.626 CV     1
 ASSI { 1913}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.500     0.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.469 ppm2      0.699 CV     1
 ASSI { 1914}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     4.500     0.000 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      1.312 CV     1
 ASSI { 1915}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD2%)
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.311 ppm2      0.626 CV     1
 ASSI { 1916}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.304 ppm2      0.699 CV     1
 ASSI { 1924}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.200     2.200     1.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.13089E-02 ppm1      7.988 ppm2      8.294 CV     1
 ASSI { 1925}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 67   and name HA2 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.968 ppm2      3.750 CV     1
 ASSI { 1926}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG3 ))
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      2.316 CV     1
 OR { 1926}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
 ASSI { 1927}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      2.048 CV     1
 OR { 1927}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 1928}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB3 ))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.569 ppm2      1.558 CV     1
 ASSI { 1930}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.289 ppm2      8.219 CV     1
 ASSI { 1931}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD21))
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      8.219 CV     1
 ASSI { 1937}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 103  and name HN  ))
      3.400     1.500     1.500 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.43487E-02 ppm1      1.558 ppm2      8.950 CV     1
 ASSI { 1938}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.898 ppm2      8.951 CV     1
 ASSI { 1939}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.567 ppm2      8.951 CV     1
 ASSI { 1940}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.485 ppm2      3.429 CV     1
 ASSI { 1941}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      6.000     4.500     0.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.485 ppm2      2.819 CV     1
 ASSI { 1943}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.61309E-02 ppm1      7.911 ppm2      8.928 CV     1
 ASSI { 1945}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.10455E-01 ppm1      3.426 ppm2      8.286 CV     1
 ASSI { 1946}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.263 ppm2      7.919 CV     1
 ASSI { 1947}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.100     1.100 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.11458E-01 ppm1      3.427 ppm2      7.918 CV     1
 ASSI { 1949}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.908 ppm2      8.287 CV     1
 ASSI { 1950}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.700     1.700 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.29734E-02 ppm1      4.907 ppm2      7.919 CV     1
 ASSI { 1952}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      2.325 CV     1
 ASSI { 1953}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      2.177 CV     1
 ASSI { 1954}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG3 ))
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      2.179 CV     1
 ASSI { 1955}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.480 ppm2      2.325 CV     1
 ASSI { 1956}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG3 ))
      6.000     4.500     0.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.377 ppm2      2.177 CV     1
 ASSI { 1958}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      2.494 CV     1
 ASSI { 1959}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG3 ))
      6.000     4.500     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.232 ppm2      2.287 CV     1
 ASSI { 1960}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      2.167 CV     1
 ASSI { 1961}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.167 CV     1
 ASSI { 1962}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG3 ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.288 CV     1
 ASSI { 1963}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.286 ppm2      2.166 CV     1
 ASSI { 1965}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG  ))
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.792 ppm2      1.420 CV     1
 ASSI { 1966}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.792 ppm2      1.157 CV     1
 ASSI { 1967}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.792 ppm2      1.092 CV     1
 ASSI { 1968}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.798 ppm2      0.766 CV     1
 ASSI { 1974}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.66898E-02 ppm1      7.943 ppm2      9.803 CV     1
 ASSI { 1975}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.16299E-01 ppm1      7.554 ppm2      9.803 CV     1
 ASSI { 1976}
   (( segid "    " and resid 87   and name HB  ))
   (  segid "    " and resid 87   and name HG1%)
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      0.928 CV     1
 OR { 1976}
   (( segid "    " and resid 87   and name HB  ))
   (  segid "    " and resid 87   and name HG2%)
 ASSI { 1985}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 13   and name HA2 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      3.873 CV     1
 ASSI { 1986}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.257 ppm2      1.439 CV     1
 ASSI { 1987}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      1.209 CV     1
 ASSI { 1988}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      1.015 CV     1
 OR { 1988}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI { 1994}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2      8.542 CV     1
 ASSI { 1999}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.500     1.500 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.37925E-02 ppm1      3.356 ppm2      8.747 CV     1
 ASSI { 2010}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     4.500     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      1.190 CV     1
 OR { 2010}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI { 2011}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      0.960 CV     1
 ASSI { 2012}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      0.595 CV     1
 OR { 2012}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR { 2012}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 2013}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.199 ppm2      0.595 CV     1
 OR { 2013}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI { 2014}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.199 ppm2      0.958 CV     1
 ASSI { 2015}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.597 CV     1
 OR { 2015}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI { 2025}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.280 ppm2      8.370 CV     1
 OR { 2025}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2027}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.280 ppm2      8.537 CV     1
 ASSI { 2036}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.567 ppm2      1.554 CV     1
 ASSI { 2037}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.500     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.562 ppm2      1.448 CV     1
 ASSI { 2038}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      6.000     4.500     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.564 ppm2      1.278 CV     1
 OR { 2038}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI { 2039}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     4.500     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      3.353 CV     1
 ASSI { 2040}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      2.253 CV     1
 ASSI { 2041}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HA2 ))
      6.000     4.500     0.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.291 ppm2      3.927 CV     1
 ASSI { 2042}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.359 ppm2      5.097 CV     1
 ASSI { 2043}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.167 ppm2      5.097 CV     1
 ASSI { 2045}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 12   and name HA2 ))
      6.000     4.500     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      3.875 CV     1
 ASSI { 2046}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      8.644 CV     1
 ASSI { 2047}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.400     1.700 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      2.596 ppm2      8.644 CV     1
 ASSI { 2048}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.49119E-02 ppm1      7.878 ppm2      8.644 CV     1
 ASSI { 2059}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.620 ppm2      9.570 CV     1
 ASSI { 2060}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.400     1.400     1.400 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.48552E-02 ppm1      3.569 ppm2      9.576 CV     1
 ASSI { 2062}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.954 ppm2      2.939 CV     1
 ASSI { 2063}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.953 ppm2      2.773 CV     1
 ASSI { 2064}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.12897E-01 ppm1      7.194 ppm2      8.491 CV     1
 ASSI { 2065}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.759 ppm2      7.206 CV     1
 ASSI { 2066}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      6.000     4.500     0.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.597 ppm2      2.708 CV     1
 OR { 2066}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2067}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.637 ppm2      8.406 CV     1
 ASSI { 2068}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      3.127 CV     1
 OR { 2068}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB3 ))
 ASSI { 2069}
   (( segid "    " and resid 98   and name HA1 ))
   (( segid "    " and resid 98   and name HN  ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.302 ppm2      8.508 CV     1
 ASSI { 2071}
   (( segid "    " and resid 98   and name HA2 ))
   (( segid "    " and resid 98   and name HN  ))
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.873 ppm2      8.505 CV     1
 ASSI { 2072}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.11887E-01 ppm1      0.758 ppm2      8.935 CV     1
 ASSI { 2073}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.94225E-02 ppm1      5.662 ppm2      8.745 CV     1
 ASSI { 2075}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.84374E-02 ppm1      2.818 ppm2      8.581 CV     1
 ASSI { 2076}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.57891E-02 ppm1      3.441 ppm2      8.581 CV     1
 ASSI { 2080}
   (( segid "    " and resid 63   and name HG12))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.714 ppm2      8.411 CV     1
 ASSI { 2081}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.400     1.400     1.400 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.45079E-02 ppm1      1.949 ppm2      7.967 CV     1
 ASSI { 2090}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.29139E-02 ppm1      0.598 ppm2      8.846 CV     1
 ASSI { 2093}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.36846E-02 ppm1      2.404 ppm2      9.569 CV     1
 ASSI { 2095}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.100     2.100     1.900 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.15068E-02 ppm1      8.567 ppm2      8.841 CV     1
 ASSI { 2097}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.25888E-02 ppm1      1.162 ppm2      9.120 CV     1
 OR { 2097}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2099}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.15497E-02 ppm1      0.859 ppm2      9.279 CV     1
 OR { 2099}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2102}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.500     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.592 ppm2      1.193 CV     1
 ASSI { 2103}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
      6.000     4.500     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.593 ppm2      0.956 CV     1
 ASSI { 2104}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.592 ppm2      0.864 CV     1
 ASSI { 2108}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.13584E-01 ppm1      2.083 ppm2      8.631 CV     1
 ASSI { 2109}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.863 ppm2      2.092 CV     1
 ASSI { 2114}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.600 ppm2      9.359 CV     1
 ASSI { 2115}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.850 ppm2      8.631 CV     1
 ASSI { 2116}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.500     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      1.195 CV     1
 ASSI { 2117}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      0.950 CV     1
 ASSI { 2119}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.508 ppm2      1.216 CV     1
 ASSI { 2120}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.656 ppm2      8.342 CV     1
 ASSI { 2121}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.655 ppm2      7.754 CV     1
 ASSI { 2122}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
      6.000     4.500     0.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.655 ppm2      1.216 CV     1
 ASSI { 2123}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      1.416 CV     1
 ASSI { 2124}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.671 CV     1
 ASSI { 2125}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HG12))
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.413 CV     1
 OR { 2125}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HG13))
 ASSI { 2126}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.418 ppm2      0.671 CV     1
 ASSI { 2127}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HG12))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.416 ppm2      0.414 CV     1
 OR { 2127}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HG13))
 ASSI { 2130}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HE21))
      6.000     4.500     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      7.528 CV     1
 ASSI { 2131}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HE21))
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.282 ppm2      7.527 CV     1
 ASSI { 2132}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HE21))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.489 ppm2      7.527 CV     1
 ASSI { 2133}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HE21))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.230 ppm2      7.528 CV     1
 ASSI { 2136}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.232 ppm2      2.029 CV     1
 ASSI { 2137}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.025 ppm2      8.719 CV     1
 ASSI { 2138}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HE21))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      7.528 CV     1
 ASSI { 2140}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.683 ppm2      2.809 CV     1
 ASSI { 2141}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB3 ))
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.683 ppm2      2.708 CV     1
 ASSI { 2144}
   (( segid "    " and resid 117  and name HB3 ))
   (( segid "    " and resid 117  and name HD21))
      6.000     4.500     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      7.639 CV     1
 ASSI { 2145}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HD21))
      6.000     4.500     0.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.807 ppm2      7.638 CV     1
 ASSI { 2146}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HD21))
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.718 ppm2      7.563 CV     1
 ASSI { 2147}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD21))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.822 ppm2      7.563 CV     1
 ASSI { 2148}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HD21))
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.723 ppm2      7.716 CV     1
 ASSI { 2149}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HD21))
      6.000     4.500     0.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.901 ppm2      7.716 CV     1
 ASSI { 2152}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.515 ppm2      6.962 CV     1
 ASSI { 2153}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      0.514 CV     1
 ASSI { 2156}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      0.515 CV     1
 ASSI { 2157}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.65487E-02 ppm1      0.504 ppm2      7.792 CV     1
 ASSI { 2158}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.695 ppm2      7.795 CV     1
 OR { 2158}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2161}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD2 ))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      1.451 CV     1
 ASSI { 2162}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HD3 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      0.830 CV     1
 ASSI { 2163}
   (( segid "    " and resid 52   and name HG3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.486 ppm2      7.815 CV     1
 ASSI { 2164}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      8.369 CV     1
 ASSI { 2165}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      8.536 CV     1
 ASSI { 2167}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      1.554 CV     1
 OR { 2167}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 2168}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.500     0.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      1.453 CV     1
 OR { 2168}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI { 2169}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
      6.000     4.500     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      1.278 CV     1
 OR { 2169}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR { 2169}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR { 2169}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 2170}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB3 ))
      6.000     4.500     0.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      1.637 CV     1
 ASSI { 2171}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 107  and name HB3 ))
      6.000     4.500     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.910 ppm2      1.637 CV     1
 OR { 2171}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 107  and name HB3 ))
 ASSI { 2173}
   (( segid "    " and resid 60   and name HD22))
   (( segid "    " and resid 60   and name HD21))
      6.000     4.500     0.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.978 ppm2      7.715 CV     1
 ASSI { 2174}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.197 ppm2      7.734 CV     1
 ASSI { 2180}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.442 ppm2     10.041 CV     1
 OR { 2180}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2181}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
      6.000     4.500     0.000 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      2.450 CV     1
 ASSI { 2182}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.492 ppm2      2.009 CV     1
 OR { 2182}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
 ASSI { 2183}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HD21))
      6.000     4.500     0.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.438 ppm2      8.219 CV     1
 ASSI { 2185}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.229 ppm2      8.107 CV     1
 ASSI { 2186}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
      3.500     1.500     1.500 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.36943E-02 ppm1      1.164 ppm2      8.111 CV     1
 OR { 2186}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2187}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 110  and name HD21))
      4.000     2.000     2.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.16147E-02 ppm1      0.758 ppm2      8.219 CV     1
 ASSI { 2189}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      4.200     2.300     1.800 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.11899E-02 ppm1      1.555 ppm2      8.215 CV     1
 ASSI { 2190}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      3.900     1.900     1.900 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.18375E-02 ppm1      1.898 ppm2      8.217 CV     1
 OR { 2190}
   (( segid "    " and resid 122  and name HB3 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 2191}
   (  segid "    " and resid 71   and name HB% )
   (( segid "    " and resid 95   and name HN  ))
      4.400     2.400     1.600 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.95470E-03 ppm1      1.367 ppm2      8.275 CV     1
 ASSI { 2192}
   (( segid "    " and resid 110  and name HD22))
   (( segid "    " and resid 110  and name HD21))
      2.100     0.600     0.600 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.75892E-01 ppm1      6.505 ppm2      8.218 CV     1
 ASSI { 2194}
   (( segid "    " and resid 18   and name HD3 ))
   (  segid "    " and resid 19   and name HE% )
      6.000     4.500     0.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      7.299 CV     1
 OR { 2194}
   (( segid "    " and resid 18   and name HD2 ))
   (  segid "    " and resid 19   and name HE% )
 ASSI { 2198}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.573 ppm2      1.430 CV     1
 ASSI { 2199}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.575 ppm2      1.063 CV     1
 ASSI { 2200}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.571 ppm2      0.764 CV     1
 ASSI { 2201}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HD2 ))
      6.000     4.500     0.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.571 ppm2      2.834 CV     1
 OR { 2201}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI { 2203}
   (( segid "    " and resid 28   and name HD1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.16299E-01 ppm1      6.945 ppm2      8.966 CV     1
 ASSI { 2204}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.100     1.100 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.11509E-01 ppm1      7.197 ppm2      8.968 CV     1
 ASSI { 2207}
   (( segid "    " and resid 56   and name HG12))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      8.329 CV     1
 OR { 2207}
   (( segid "    " and resid 56   and name HG13))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2210}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.911 ppm2      8.111 CV     1
 ASSI { 2213}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      3.800     1.800     1.800 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.24034E-02 ppm1      1.972 ppm2      9.114 CV     1
 ASSI { 2219}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.315 ppm2      8.388 CV     1
 ASSI { 2220}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      6.000     4.500     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.318 CV     1
 ASSI { 2221}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HD1%)
      6.000     4.500     0.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.418 ppm2      0.320 CV     1
 ASSI { 2224}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.407 ppm2      7.949 CV     1
 ASSI { 2225}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      6.000     4.500     0.000 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      0.415 CV     1
 ASSI { 2226}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.764 ppm2      7.879 CV     1
 ASSI { 2227}
   (  segid "    " and resid 19   and name HD% )
   (  segid "    " and resid 19   and name HE% )
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.146 ppm2      7.295 CV     1
 ASSI { 2228}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.570 ppm2      8.630 CV     1
 ASSI { 2229}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     4.500     0.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.575 ppm2      1.260 CV     1
 ASSI { 2230}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.827 ppm2      1.260 CV     1
 OR { 2230}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 2231}
   (( segid "    " and resid 18   and name HD3 ))
   (  segid "    " and resid 19   and name HD% )
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      7.158 CV     1
 OR { 2231}
   (( segid "    " and resid 18   and name HD2 ))
   (  segid "    " and resid 19   and name HD% )
 ASSI { 2233}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HE% )
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.571 ppm2      7.298 CV     1
 ASSI { 2240}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      7.880 CV     1
 OR { 2240}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2241}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      8.644 CV     1
 ASSI { 2242}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      8.644 CV     1
 ASSI { 2243}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.428 ppm2      8.644 CV     1
 ASSI { 2244}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.569 ppm2      8.644 CV     1
 ASSI { 2245}
   (( segid "    " and resid 15   and name HG12))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.23646E-02 ppm1      1.254 ppm2      7.913 CV     1
 OR { 2245}
   (( segid "    " and resid 15   and name HG12))
   (( segid "    " and resid 29   and name HE1 ))
 ASSI { 2246}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      7.918 CV     1
 ASSI { 2248}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE22))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.175 ppm2      6.694 CV     1
 ASSI { 2252}
   (( segid "    " and resid 117  and name HD22))
   (( segid "    " and resid 117  and name HD21))
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.890 ppm2      7.640 CV     1
 ASSI { 2253}
   (( segid "    " and resid 41   and name HE22))
   (( segid "    " and resid 41   and name HE21))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.843 ppm2      7.526 CV     1
 ASSI { 2256}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HE22))
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      6.855 CV     1
 ASSI { 2257}
   (( segid "    " and resid 112  and name HE22))
   (( segid "    " and resid 112  and name HE21))
      6.000     4.500     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.562 ppm2      7.043 CV     1
 ASSI { 2258}
   (( segid "    " and resid 68   and name HD22))
   (( segid "    " and resid 68   and name HD21))
      6.000     4.500     0.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.842 ppm2      7.562 CV     1
 ASSI { 2264}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      7.920 CV     1
 ASSI { 2266}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.48939E-02 ppm1      2.248 ppm2      9.191 CV     1
 ASSI { 2267}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.200     1.200 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.86643E-02 ppm1      3.266 ppm2      9.242 CV     1
 ASSI { 2268}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.16977E-02 ppm1      3.355 ppm2      9.242 CV     1
 ASSI { 2269}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.15552E-02 ppm1      4.351 ppm2      9.242 CV     1
 ASSI { 2274}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.28046E-02 ppm1      7.525 ppm2      9.208 CV     1
 ASSI { 2276}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      8.542 CV     1
 ASSI { 2284}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.593 ppm2      7.207 CV     1
 OR { 2284}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2285}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 5    and name HD1 ))
      6.000     4.500     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.380 ppm2      7.193 CV     1
 OR { 2285}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 5    and name HD1 ))
 ASSI { 2295}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.900     1.000     1.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.12688E-01 ppm1      7.116 ppm2      7.558 CV     1
 ASSI { 2297}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      7.159 CV     1
 ASSI { 2298}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 66   and name HD% )
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      7.011 CV     1
 ASSI { 2299}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.691 ppm2      1.948 CV     1
 ASSI { 2300}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 7    and name HE  ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      7.266 CV     1
 ASSI { 2301}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HD% )
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.335 ppm2      7.151 CV     1
 ASSI { 2303}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.22359E-01 ppm1      0.858 ppm2      7.922 CV     1
 ASSI { 2304}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
      4.300     2.300     1.700 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.11581E-02 ppm1      1.571 ppm2      7.867 CV     1
 ASSI { 2305}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.557 ppm2      2.768 CV     1
 OR { 2305}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
 ASSI { 2307}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.793 ppm2      8.888 CV     1
 ASSI { 2309}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.11498E-02 ppm1      0.855 ppm2      8.877 CV     1
 ASSI { 2310}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.355 ppm2      8.882 CV     1
 ASSI { 2314}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2      0.411 CV     1
 ASSI { 2315}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      6.000     4.500     0.000 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2      0.855 CV     1
 ASSI { 2316}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG12))
      6.000     4.500     0.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2      1.272 CV     1
 ASSI { 2317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      6.000     4.500     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2      1.555 CV     1
 ASSI { 2318}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG13))
      6.000     4.500     0.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.920 ppm2     -0.561 CV     1
 ASSI { 2319}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HG13))
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.559 ppm2     -0.567 CV     1
 ASSI { 2320}
   (( segid "    " and resid 15   and name HG12))
   (( segid "    " and resid 15   and name HG13))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2     -0.565 CV     1
 ASSI { 2321}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HG13))
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2     -0.566 CV     1
 ASSI { 2322}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HG13))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.410 ppm2     -0.566 CV     1
 ASSI { 2324}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.406 ppm2      7.922 CV     1
 ASSI { 2325}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.800 ppm2      7.921 CV     1
 ASSI { 2327}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.40208E-02 ppm1      3.350 ppm2      9.116 CV     1
 ASSI { 2332}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.17448E-02 ppm1      0.761 ppm2      8.579 CV     1
 ASSI { 2334}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HB% )
      6.000     4.500     0.000 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      1.384 CV     1
 ASSI { 2335}
   (  segid "    " and resid 71   and name HB% )
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.377 ppm2      8.134 CV     1
 ASSI { 2338}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.257 ppm2      1.906 CV     1
 ASSI { 2339}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      1.775 CV     1
 ASSI { 2340}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      6.000     4.500     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.252 ppm2      1.640 CV     1
 ASSI { 2341}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HG2 ))
      6.000     4.500     0.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.543 ppm2      1.641 CV     1
 OR { 2341}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI { 2342}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     4.500     0.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.539 ppm2      1.778 CV     1
 ASSI { 2343}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.541 ppm2      1.906 CV     1
 ASSI { 2346}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      1.778 ppm2      8.833 CV     1
 ASSI { 2349}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.500     1.500     1.500 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.37150E-02 ppm1      1.971 ppm2      8.833 CV     1
 ASSI { 2351}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     2.800     3.200 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.13392E-01 ppm1      7.751 ppm2      8.334 CV     1
 ASSI { 2355}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      8.389 CV     1
 ASSI { 2357}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.910 ppm2      9.152 CV     1
 OR { 2357}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI { 2358}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.596 ppm2      9.153 CV     1
 ASSI { 2360}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HG  ))
      6.000     4.500     0.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.942 ppm2      1.655 CV     1
 ASSI { 2361}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.942 ppm2      0.962 CV     1
 OR { 2361}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 2363}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.800     2.900     1.200 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.55345E-03 ppm1      3.903 ppm2      6.962 CV     1
 ASSI { 2364}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.509 ppm2      0.860 CV     1
 ASSI { 2365}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HG12))
      6.000     4.500     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.164 ppm2      1.407 CV     1
 ASSI { 2366}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HG13))
      6.000     4.500     0.000 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      1.215 CV     1
 ASSI { 2367}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HG2%)
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.164 ppm2      0.954 CV     1
 ASSI { 2368}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.164 ppm2      0.860 CV     1
 ASSI { 2370}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      3.800     1.800     1.800 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.21571E-02 ppm1      7.558 ppm2      8.127 CV     1
 ASSI { 2371}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.600     1.600 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.34950E-02 ppm1      0.314 ppm2      8.667 CV     1
 ASSI { 2373}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.30481E-02 ppm1      8.027 ppm2      9.959 CV     1
 ASSI { 2377}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.17005E-02 ppm1      1.420 ppm2      7.756 CV     1
 ASSI { 2380}
   (  segid "    " and resid 113  and name HD% )
   (  segid "    " and resid 113  and name HE% )
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.153 ppm2      7.202 CV     1
 ASSI { 2381}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      3.400     1.500     1.500 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.41869E-02 ppm1      0.770 ppm2      6.170 CV     1
 ASSI { 2383}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.621 ppm2      6.171 CV     1
 ASSI { 2385}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.635 ppm2      6.171 CV     1
 OR { 2385}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HE% )
 ASSI { 2389}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 110  and name HD22))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.436 ppm2      6.509 CV     1
 ASSI { 2392}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HD3 ))
      2.700     0.900     0.900 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.16659E-01 ppm1      4.618 ppm2      3.732 CV     1
 ASSI { 2393}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.23868E-02 ppm1      3.876 ppm2      8.086 CV     1
 ASSI { 2397}
   (  segid "    " and resid 66   and name HE% )
   (( segid "    " and resid 66   and name HZ  ))
      6.000     4.500     0.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.179 ppm2      7.088 CV     1
 ASSI { 2404}
   (( segid "    " and resid 119  and name HG13))
   (  segid "    " and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2      0.878 CV     1
 ASSI { 2405}
   (( segid "    " and resid 119  and name HG13))
   (  segid "    " and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2      0.815 CV     1
 ASSI { 2407}
   (( segid "    " and resid 119  and name HG12))
   (  segid "    " and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.386 ppm2      0.820 CV     1
 ASSI { 2408}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.491 ppm2      6.954 CV     1
 ASSI { 2412}
   (( segid "    " and resid 28   and name HZ3 ))
   (( segid "    " and resid 28   and name HZ2 ))
      6.000     4.500     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.891 ppm2      7.125 CV     1
 ASSI { 2414}
   (( segid "    " and resid 28   and name HZ2 ))
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.120 ppm2      6.954 CV     1
 ASSI { 2415}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.147 ppm2      6.954 CV     1
 ASSI { 2418}
   (( segid "    " and resid 28   and name HZ2 ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.119 ppm2      7.155 CV     1
 ASSI { 2421}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HZ3 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.146 ppm2      6.902 CV     1
 ASSI { 2425}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.702 ppm2      6.378 CV     1
 OR { 2425}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD% )
 ASSI { 2427}
   (( segid "    " and resid 119  and name HG12))
   (  segid "    " and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.380 ppm2      0.876 CV     1
 ASSI { 2429}
   (( segid "    " and resid 119  and name HG12))
   (( segid "    " and resid 119  and name HG13))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.381 ppm2      1.112 CV     1
 ASSI { 2434}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HD1%)
      6.000     4.500     0.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2      0.990 CV     1
 ASSI { 2436}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 20   and name HD2%)
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.784 ppm2      0.767 CV     1
 ASSI { 2438}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG  ))
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.786 ppm2      1.664 CV     1
 ASSI { 2439}
   (( segid "    " and resid 20   and name HG  ))
   (  segid "    " and resid 20   and name HD1%)
      6.000     4.500     0.000 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.659 ppm2      0.990 CV     1
 ASSI { 2440}
   (( segid "    " and resid 20   and name HG  ))
   (  segid "    " and resid 20   and name HD2%)
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.657 ppm2      0.766 CV     1
 ASSI { 2447}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.695 ppm2      1.424 CV     1
 OR { 2447}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 2448}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     4.500     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      1.265 CV     1
 OR { 2448}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI { 2449}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG2 ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      1.107 CV     1
 OR { 2449}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 2450}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HG3 ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      1.071 CV     1
 OR { 2450}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG3 ))
 ASSI { 2451}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG3 ))
      6.000     4.500     0.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      1.072 CV     1
 ASSI { 2452}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG2 ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      1.109 CV     1
 ASSI { 2453}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     4.500     0.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      1.265 CV     1
 ASSI { 2454}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG2 ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      1.108 CV     1
 ASSI { 2455}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG3 ))
      6.000     4.500     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.265 ppm2      1.070 CV     1
 ASSI { 2456}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HB% )
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      1.214 CV     1
 ASSI { 2457}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.220 ppm2      7.922 CV     1
 ASSI { 2458}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      1.906 CV     1
 ASSI { 2459}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      1.777 CV     1
 ASSI { 2460}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HG3 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      1.640 CV     1
 OR { 2460}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI { 2462}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.500     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.175 ppm2      7.138 CV     1
 ASSI { 2470}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 18   and name HG3 ))
      2.700     0.900     0.900 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.16866E-01 ppm1      2.440 ppm2      0.769 CV     1
 OR { 2470}
   (( segid "    " and resid 6    and name HE3 ))
   (  segid "    " and resid 20   and name HD2%)
 OR { 2470}
   (( segid "    " and resid 6    and name HE2 ))
   (  segid "    " and resid 20   and name HD2%)
 ASSI { 2486}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 42   and name HD2%)
      6.000     4.500     0.000 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.759 ppm2      0.418 CV     1
 ASSI { 2487}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.31671E-02 ppm1      7.001 ppm2      7.969 CV     1
 ASSI { 2488}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      1.013 CV     1
 OR { 2488}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI { 2489}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG3 ))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.196 ppm2      1.013 CV     1
 OR { 2489}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI { 2490}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     4.500     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      1.354 CV     1
 OR { 2490}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI { 2491}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.456 ppm2      3.280 CV     1
 ASSI { 2492}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.302 ppm2      8.403 CV     1
 ASSI { 2493}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      8.403 CV     1
 ASSI { 2494}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.950 ppm2      8.404 CV     1
 ASSI { 2496}
   (( segid "    " and resid 97   and name HB3 ))
   (  segid "    " and resid 97   and name HD% )
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.130 ppm2      7.277 CV     1
 OR { 2496}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 97   and name HD% )
 ASSI { 2497}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.270 ppm2      8.407 CV     1
 ASSI { 2500}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.279 ppm2      8.392 CV     1
 ASSI { 2503}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.64214E-02 ppm1      7.923 ppm2      8.352 CV     1
 ASSI { 2504}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.404 ppm2      8.369 CV     1
 ASSI { 2505}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG12))
      6.000     4.500     0.000 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.379 ppm2      1.714 CV     1
 OR { 2505}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG13))
 ASSI { 2506}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HG12))
      6.000     4.500     0.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.873 ppm2      1.714 CV     1
 OR { 2506}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HG13))
 ASSI { 2507}
   (( segid "    " and resid 63   and name HG12))
   (  segid "    " and resid 63   and name HD1%)
      6.000     4.500     0.000 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.713 ppm2      0.824 CV     1
 OR { 2507}
   (( segid "    " and resid 63   and name HG13))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 2508}
   (( segid "    " and resid 63   and name HG13))
   (  segid "    " and resid 63   and name HG2%)
      6.000     4.500     0.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.715 ppm2      1.208 CV     1
 ASSI { 2509}
   (( segid "    " and resid 63   and name HG12))
   (( segid "    " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.15178E-02 ppm1      1.714 ppm2      7.835 CV     1
 OR { 2509}
   (( segid "    " and resid 63   and name HG13))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2510}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.136 ppm2      7.819 CV     1
 ASSI { 2512}
   (  segid "    " and resid 111  and name HG2%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.168 ppm2      7.820 CV     1
 ASSI { 2519}
   (( segid "    " and resid 117  and name HB3 ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      8.109 CV     1
 ASSI { 2520}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.683 ppm2      8.295 CV     1
 ASSI { 2521}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HB3 ))
      6.000     4.500     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.810 ppm2      2.708 CV     1
 ASSI { 2522}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.887 ppm2      8.323 CV     1
 ASSI { 2523}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.934 ppm2      8.324 CV     1
 ASSI { 2527}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.483 ppm2      8.323 CV     1
 ASSI { 2528}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.482 ppm2      3.933 CV     1
 ASSI { 2529}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.482 ppm2      3.886 CV     1
 ASSI { 2533}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.163 ppm2      8.328 CV     1
 OR { 2533}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2536}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      8.459 CV     1
 ASSI { 2537}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HG2%)
      6.000     4.500     0.000 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.132 ppm2      1.179 CV     1
 ASSI { 2540}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      8.491 CV     1
 ASSI { 2541}
   (( segid "    " and resid 79   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      8.491 CV     1
 OR { 2541}
   (( segid "    " and resid 79   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2542}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.620 ppm2      8.933 CV     1
 ASSI { 2543}
   (( segid "    " and resid 57   and name HG  ))
   (  segid "    " and resid 57   and name HD1%)
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.619 ppm2      1.163 CV     1
 OR { 2543}
   (( segid "    " and resid 57   and name HG  ))
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 2544}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HG  ))
      6.000     4.500     0.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.974 ppm2      1.624 CV     1
 ASSI { 2546}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.484 ppm2      7.323 CV     1
 ASSI { 2548}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG2 ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.567 ppm2      1.755 CV     1
 ASSI { 2549}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG3 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.567 ppm2      1.484 CV     1
 ASSI { 2552}
   (( segid "    " and resid 102  and name HG3 ))
   (( segid "    " and resid 103  and name HN  ))
      3.800     1.800     1.800 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.24767E-02 ppm1      1.486 ppm2      8.951 CV     1
 ASSI { 2556}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.900     1.900     1.900 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.18624E-02 ppm1      3.747 ppm2      8.105 CV     1
 ASSI { 2559}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.011 ppm2      8.220 CV     1
 ASSI { 2560}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.924 ppm2      8.220 CV     1
 ASSI { 2561}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.011 ppm2      8.301 CV     1
 ASSI { 2562}
   (( segid "    " and resid 82   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.924 ppm2      8.302 CV     1
 ASSI { 2569}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     4.500     0.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.356 ppm2      2.253 CV     1
 ASSI { 2573}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 7    and name HG2 ))
      4.200     2.200     1.800 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.13435E-02 ppm1      2.237 ppm2      1.276 CV     1
 OR { 2573}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 2577}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.345 ppm2      3.170 CV     1
 ASSI { 2578}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.255 ppm2      8.088 CV     1
 ASSI { 2580}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      1.195 CV     1
 ASSI { 2582}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      0.414 CV     1
 ASSI { 2583}
   (( segid "    " and resid 15   and name HG12))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      0.414 CV     1
 ASSI { 2584}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.559 ppm2      0.411 CV     1
 ASSI { 2587}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 21   and name HG  ))
      3.600     1.700     1.700 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.29402E-02 ppm1      4.257 ppm2      0.859 CV     1
 OR { 2587}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2590}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 18   and name HG3 ))
      4.000     2.000     2.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.16700E-02 ppm1      2.986 ppm2      0.763 CV     1
 ASSI { 2592}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.892 ppm2      2.682 CV     1
 ASSI { 2593}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.99995E-02 ppm1      5.011 ppm2      5.599 CV     1
 ASSI { 2594}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HB% )
      3.900     1.900     1.900 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.19025E-02 ppm1      3.770 ppm2      1.026 CV     1
 ASSI { 2595}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.936 ppm2      2.774 CV     1
 ASSI { 2601}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.500     0.000 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.916 ppm2      3.537 CV     1
 ASSI { 2604}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.698 ppm2      8.355 CV     1
 OR { 2604}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2605}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB3 ))
      6.000     4.500     0.000 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      3.563 CV     1
 ASSI { 2606}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HG3 ))
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.324 ppm2      2.177 CV     1
 ASSI { 2607}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.300     1.300     1.300 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.56438E-02 ppm1      2.784 ppm2      2.167 CV     1
 OR { 2607}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2608}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      6.000     4.500     0.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.062 ppm2      1.095 CV     1
 ASSI { 2611}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.418 ppm2      2.091 CV     1
 ASSI { 2618}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.470 ppm2      1.352 CV     1
 ASSI { 2619}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     4.500     0.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      1.355 CV     1
 ASSI { 2620}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.796 ppm2      1.354 CV     1
 ASSI { 2621}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HG3 ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.607 ppm2      1.356 CV     1
 ASSI { 2622}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
      6.000     4.500     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      1.606 CV     1
 ASSI { 2623}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG2 ))
      6.000     4.500     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      1.607 CV     1
 ASSI { 2624}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     4.500     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      1.797 CV     1
 ASSI { 2625}
   (( segid "    " and resid 79   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      8.211 CV     1
 OR { 2625}
   (( segid "    " and resid 79   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2626}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HB3 ))
      6.000     4.500     0.000 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.038 ppm2      1.897 CV     1
 ASSI { 2629}
   (( segid "    " and resid 98   and name HA2 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.875 ppm2      7.858 CV     1
 ASSI { 2630}
   (( segid "    " and resid 98   and name HA1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      7.858 CV     1
 ASSI { 2631}
   (( segid "    " and resid 98   and name HA1 ))
   (( segid "    " and resid 98   and name HA2 ))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      3.874 CV     1
 ASSI { 2639}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 105  and name HD1%)
      6.000     4.500     0.000 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      0.319 CV     1
 ASSI { 2640}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HG13))
      6.000     4.500     0.000 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      0.414 CV     1
 ASSI { 2641}
   (( segid "    " and resid 105  and name HG13))
   (  segid "    " and resid 105  and name HD1%)
      6.000     4.500     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.415 ppm2      0.319 CV     1
 OR { 2641}
   (( segid "    " and resid 105  and name HG12))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 2642}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HB3 ))
      6.000     4.500     0.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      1.637 CV     1
 ASSI { 2645}
   (( segid "    " and resid 107  and name HB3 ))
   (( segid "    " and resid 107  and name HG3 ))
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      1.458 CV     1
 ASSI { 2646}
   (( segid "    " and resid 107  and name HG2 ))
   (( segid "    " and resid 107  and name HG3 ))
      6.000     4.500     0.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      1.459 CV     1
 ASSI { 2647}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 28   and name HE1 ))
      3.500     1.500     1.500 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.38742E-02 ppm1      0.232 ppm2      9.579 CV     1
 ASSI { 2649}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 28   and name HE1 ))
      3.400     1.500     1.500 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.43155E-02 ppm1     -0.821 ppm2      9.576 CV     1
 ASSI { 2657}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.37081E-02 ppm1      5.418 ppm2      9.566 CV     1
 ASSI { 2660}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 28   and name HE1 ))
      2.700     0.900     0.900 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.17531E-01 ppm1      8.963 ppm2      9.576 CV     1
 ASSI { 2662}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 104  and name HD2%)
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      0.852 CV     1
 ASSI { 2664}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 104  and name HD1%)
      6.000     4.500     0.000 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      0.904 CV     1
 ASSI { 2665}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 104  and name HD2%)
      6.000     4.500     0.000 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      0.852 CV     1
 ASSI { 2667}
   (( segid "    " and resid 104  and name HB3 ))
   (  segid "    " and resid 104  and name HD2%)
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      0.852 CV     1
 ASSI { 2668}
   (( segid "    " and resid 104  and name HB3 ))
   (  segid "    " and resid 104  and name HD1%)
      6.000     4.500     0.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      0.904 CV     1
 ASSI { 2676}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.800     3.800     2.200 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      8.637 ppm2      9.152 CV     1
 ASSI { 2677}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.181 ppm2      9.134 CV     1
 ASSI { 2678}
   (( segid "    " and resid 28   and name HZ3 ))
   (( segid "    " and resid 10   and name HN  ))
      4.700     2.700     1.300 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.68075E-03 ppm1      6.893 ppm2      9.116 CV     1
 ASSI { 2679}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 106  and name HN  ))
      3.800     1.800     1.800 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.21612E-02 ppm1      2.680 ppm2      9.064 CV     1
 ASSI { 2681}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      3.200     1.300     1.300 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.69375E-02 ppm1      5.594 ppm2      9.060 CV     1
 OR { 2681}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 2684}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      0.404 ppm2      8.934 CV     1
 ASSI { 2685}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      4.100     2.100     1.900 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.14902E-02 ppm1      0.604 ppm2      8.934 CV     1
 ASSI { 2686}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      3.900     1.900     1.900 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.19551E-02 ppm1      0.679 ppm2      8.935 CV     1
 ASSI { 2687}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 107  and name HN  ))
      4.100     2.100     1.900 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.14597E-02 ppm1      0.856 ppm2      8.934 CV     1
 ASSI { 2688}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 107  and name HN  ))
      3.600     1.600     1.600 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.30938E-02 ppm1      0.957 ppm2      8.930 CV     1
 OR { 2688}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 2689}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.57753E-02 ppm1      2.533 ppm2      8.932 CV     1
 ASSI { 2692}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.300     1.300     1.300 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.56853E-02 ppm1      5.054 ppm2      8.952 CV     1
 ASSI { 2693}
   (  segid "    " and resid 50   and name HD% )
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.400     1.400 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.49368E-02 ppm1      6.448 ppm2      8.879 CV     1
 ASSI { 2695}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     3.000     3.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.92039E-02 ppm1      8.664 ppm2      8.951 CV     1
 ASSI { 2697}
   (( segid "    " and resid 105  and name HG12))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.37372E-02 ppm1      0.413 ppm2      8.667 CV     1
 ASSI { 2698}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.24117E-02 ppm1      0.403 ppm2      8.577 CV     1
 OR { 2698}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 2699}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.19744E-02 ppm1      0.957 ppm2      8.719 CV     1
 ASSI { 2700}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 62   and name HN  ))
      4.500     2.600     1.500 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.78590E-03 ppm1      1.619 ppm2      8.833 CV     1
 ASSI { 2704}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.18983E-02 ppm1      3.299 ppm2      8.644 CV     1
 ASSI { 2706}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.300     1.400     1.400 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.51803E-02 ppm1      3.488 ppm2      8.746 CV     1
 ASSI { 2707}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      3.572 ppm2      8.746 CV     1
 ASSI { 2708}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.10409E-01 ppm1      8.576 ppm2      8.722 CV     1
 ASSI { 2709}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.374 ppm2      8.722 CV     1
 ASSI { 2710}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.49520E-02 ppm1      8.376 ppm2      8.668 CV     1
 ASSI { 2720}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 98   and name HN  ))
      3.300     1.300     1.300 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.56646E-02 ppm1      7.268 ppm2      8.500 CV     1
 ASSI { 2725}
   (  segid "    " and resid 104  and name HD2%)
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.17240E-02 ppm1      0.855 ppm2      8.565 CV     1
 ASSI { 2728}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.10100E-01 ppm1      8.207 ppm2      8.500 CV     1
 ASSI { 2731}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.12951E-02 ppm1      1.151 ppm2      8.287 CV     1
 OR { 2731}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 OR { 2731}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2732}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 118  and name HN  ))
      4.600     2.700     1.400 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.70150E-03 ppm1      1.410 ppm2      8.295 CV     1
 OR { 2732}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 2733}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 105  and name HN  ))
      4.500     2.600     1.500 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.79005E-03 ppm1      3.571 ppm2      8.386 CV     1
 OR { 2733}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 2736}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.900     1.100     1.100 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.10567E-01 ppm1      5.052 ppm2      8.390 CV     1
 ASSI { 2738}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      4.100     2.100     1.900 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.15026E-02 ppm1      8.108 ppm2      8.290 CV     1
 ASSI { 2740}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.202 ppm2      8.419 CV     1
 ASSI { 2742}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.900     0.900 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.20824E-01 ppm1      7.959 ppm2      8.102 CV     1
 ASSI { 2744}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     1.600     1.600 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.34757E-02 ppm1      7.550 ppm2      7.947 CV     1
 ASSI { 2748}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.16313E-02 ppm1      6.663 ppm2      7.921 CV     1
 ASSI { 2750}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.52979E-02 ppm1      6.978 ppm2      7.791 CV     1
 ASSI { 2754}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      4.100     2.100     1.900 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.15289E-02 ppm1      0.911 ppm2      8.304 CV     1
 OR { 2754}
   (  segid "    " and resid 84   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 2755}
   (  segid "    " and resid 119  and name HG2%)
   (( segid "    " and resid 121  and name HN  ))
      4.200     2.200     1.800 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.12536E-02 ppm1      0.883 ppm2      8.214 CV     1
 ASSI { 2756}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
      4.100     2.100     1.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      1.004 ppm2      8.373 CV     1
 OR { 2756}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2759}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      4.500     2.500     1.500 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.84816E-03 ppm1      2.043 ppm2      8.304 CV     1
 OR { 2759}
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 2766}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.086 ppm2      8.370 CV     1
 OR { 2766}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2770}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.13767E-02 ppm1      2.243 ppm2      8.086 CV     1
 ASSI { 2775}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.527 ppm2      7.737 CV     1
 ASSI { 2780}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      4.000     2.000     2.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.16617E-02 ppm1      4.633 ppm2      7.816 CV     1
 ASSI { 2781}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.435 ppm2      7.871 CV     1
 ASSI { 2784}
   (( segid "    " and resid 43   and name HA1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.26261E-02 ppm1      4.028 ppm2      7.641 CV     1
 ASSI { 2787}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.17544E-02 ppm1      2.824 ppm2      7.939 CV     1
 OR { 2787}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 2788}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.28613E-02 ppm1      2.387 ppm2      7.817 CV     1
 ASSI { 2789}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      7.945 CV     1
 ASSI { 2797}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.51374E-02 ppm1      0.602 ppm2      7.795 CV     1
 ASSI { 2798}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      3.600     3.600     2.400 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.31159E-02 ppm1      0.403 ppm2      7.791 CV     1
 ASSI { 2802}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 5    and name HE3 ))
      3.700     1.700     1.700 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.25528E-02 ppm1      1.209 ppm2      7.531 CV     1
 ASSI { 2805}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 28   and name HE3 ))
      3.300     1.400     1.400 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.50060E-02 ppm1     -0.817 ppm2      7.157 CV     1
 ASSI { 2806}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 28   and name HZ2 ))
      3.200     3.200     2.800 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.59939E-02 ppm1     -0.818 ppm2      7.125 CV     1
 ASSI { 2808}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 28   and name HZ3 ))
      3.400     3.400     2.600 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.47611E-02 ppm1     -0.818 ppm2      6.903 CV     1
 ASSI { 2809}
   (( segid "    " and resid 15   and name HG13))
   (( segid "    " and resid 7    and name HE  ))
      4.100     2.100     1.900 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.14099E-02 ppm1     -0.575 ppm2      7.264 CV     1
 ASSI { 2810}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 28   and name HZ2 ))
      4.200     2.300     1.800 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.11858E-02 ppm1     -0.002 ppm2      7.125 CV     1
 ASSI { 2811}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 5    and name HE3 ))
      3.500     1.500     1.500 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.40402E-02 ppm1      1.015 ppm2      7.528 CV     1
 OR { 2811}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 5    and name HE3 ))
 ASSI { 2814}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.754 ppm2      7.604 CV     1
 ASSI { 2816}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HD1 ))
      2.500     0.800     0.800 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.28115E-01 ppm1      5.595 ppm2      6.954 CV     1
 OR { 2816}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 28   and name HD1 ))
 ASSI { 2817}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 66   and name HD% )
      3.500     1.600     1.600 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.35656E-02 ppm1      6.409 ppm2      7.007 CV     1
 ASSI { 2818}
   (  segid "    " and resid 62   and name HD% )
   (  segid "    " and resid 66   and name HD% )
      3.000     1.100     1.100 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.10261E-01 ppm1      6.520 ppm2      7.007 CV     1
 ASSI { 2819}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 97   and name HD% )
      3.100     1.200     1.200 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.77290E-02 ppm1      6.409 ppm2      7.277 CV     1
 ASSI { 2820}
   (  segid "    " and resid 62   and name HD% )
   (  segid "    " and resid 97   and name HD% )
      4.600     2.600     1.400 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.77622E-03 ppm1      6.511 ppm2      7.277 CV     1
 ASSI { 2821}
   (  segid "    " and resid 62   and name HD% )
   (  segid "    " and resid 66   and name HE% )
      4.100     2.100     1.900 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.15137E-02 ppm1      6.514 ppm2      7.166 CV     1
 ASSI { 2830}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HD1 ))
      3.600     1.600     1.600 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      4.345 ppm2      7.201 CV     1
 ASSI { 2831}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 66   and name HZ  ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      7.095 CV     1
 ASSI { 2836}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 66   and name HD% )
      2.600     0.900     0.900 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.21308E-01 ppm1      4.132 ppm2      7.005 CV     1
 ASSI { 2837}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 5    and name HZ3 ))
      3.200     1.300     1.300 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.59634E-02 ppm1      4.257 ppm2      6.963 CV     1
 ASSI { 2839}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 28   and name HE3 ))
      2.800     1.000     1.000 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.14473E-01 ppm1      4.143 ppm2      7.154 CV     1
 ASSI { 2840}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 66   and name HZ  ))
      6.000     4.500     0.000 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.821 ppm2      7.096 CV     1
 OR { 2840}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 66   and name HZ  ))
 ASSI { 2842}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 28   and name HE3 ))
      3.700     1.700     1.700 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.27424E-02 ppm1      3.925 ppm2      7.156 CV     1
 ASSI { 2843}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 7    and name HE  ))
      3.000     3.000     3.000 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.10300E-01 ppm1      3.873 ppm2      7.266 CV     1
 ASSI { 2844}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 97   and name HD% )
      3.200     3.200     2.800 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.67037E-02 ppm1      3.953 ppm2      7.276 CV     1
 OR { 2844}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 97   and name HD% )
 ASSI { 2845}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HD1 ))
      4.000     2.000     2.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.17724E-02 ppm1      3.676 ppm2      7.201 CV     1
 OR { 2845}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HD1 ))
 ASSI { 2847}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      7.159 CV     1
 OR { 2847}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 66   and name HE% )
 ASSI { 2849}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 28   and name HE3 ))
      3.300     1.300     1.300 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.56078E-02 ppm1      3.269 ppm2      7.155 CV     1
 ASSI { 2850}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.467 ppm2      7.157 CV     1
 ASSI { 2852}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 28   and name HD1 ))
      4.200     2.200     1.800 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      2.686 ppm2      6.954 CV     1
 ASSI { 2853}
   (( segid "    " and resid 52   and name HE2 ))
   (  segid "    " and resid 66   and name HD% )
      3.300     1.400     1.400 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.52993E-02 ppm1      2.572 ppm2      7.007 CV     1
 OR { 2853}
   (( segid "    " and resid 52   and name HE3 ))
   (  segid "    " and resid 66   and name HD% )
 ASSI { 2857}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 7    and name HE  ))
      3.500     3.500     2.500 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.41191E-02 ppm1      2.247 ppm2      7.265 CV     1
 ASSI { 2858}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 66   and name HE% )
      3.000     1.100     1.100 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.92039E-02 ppm1      2.225 ppm2      7.158 CV     1
 ASSI { 2861}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 66   and name HD% )
      4.000     2.000     2.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.16119E-02 ppm1      2.225 ppm2      7.007 CV     1
 ASSI { 2871}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.648 ppm2      7.226 CV     1
 ASSI { 2872}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 66   and name HE% )
      2.700     0.900     0.900 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.18236E-01 ppm1      1.596 ppm2      7.160 CV     1
 ASSI { 2873}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 66   and name HD% )
      3.900     1.900     1.900 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.19136E-02 ppm1      1.604 ppm2      7.009 CV     1
 ASSI { 2874}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 5    and name HZ3 ))
      3.200     1.300     1.300 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.62678E-02 ppm1      1.440 ppm2      6.962 CV     1
 ASSI { 2876}
   (  segid "    " and resid 116  and name HB% )
   (  segid "    " and resid 19   and name HE% )
      4.000     2.000     2.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.18070E-02 ppm1      1.369 ppm2      7.292 CV     1
 OR { 2876}
   (  segid "    " and resid 115  and name HB% )
   (  segid "    " and resid 19   and name HE% )
 ASSI { 2878}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 97   and name HD% )
      3.900     1.900     1.900 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.18582E-02 ppm1      1.220 ppm2      7.278 CV     1
 ASSI { 2881}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 66   and name HE% )
      2.200     0.600     0.600 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.62111E-01 ppm1      1.172 ppm2      7.159 CV     1
 ASSI { 2882}
   (  segid "    " and resid 57   and name HD2%)
   (( segid "    " and resid 66   and name HZ  ))
      3.500     1.500     1.500 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.38382E-02 ppm1      1.176 ppm2      7.099 CV     1
 ASSI { 2884}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 5    and name HZ3 ))
      2.900     1.100     1.100 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.11360E-01 ppm1      1.210 ppm2      6.962 CV     1
 ASSI { 2886}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 66   and name HE% )
      4.000     2.000     2.000 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.18001E-02 ppm1      0.953 ppm2      7.156 CV     1
 OR { 2886}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 113  and name HD% )
 OR { 2886}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 19   and name HD% )
 ASSI { 2888}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 66   and name HD% )
      4.400     2.400     1.600 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.99898E-03 ppm1      0.948 ppm2      7.006 CV     1
 ASSI { 2889}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.20796E-02 ppm1      0.940 ppm2      6.959 CV     1
 OR { 2889}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 28   and name HD1 ))
 ASSI { 2892}
   (  segid "    " and resid 20   and name HD2%)
   (  segid "    " and resid 22   and name HD% )
      2.900     1.000     1.000 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.12508E-01 ppm1      0.766 ppm2      7.226 CV     1
 ASSI { 2896}
   (( segid "    " and resid 52   and name HG3 ))
   (( segid "    " and resid 66   and name HZ  ))
      3.600     3.600     2.400 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.32073E-02 ppm1      0.487 ppm2      7.095 CV     1
 ASSI { 2897}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      0.232 ppm2      7.212 CV     1
 ASSI { 2899}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 28   and name HZ2 ))
      3.200     1.300     1.300 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.59081E-02 ppm1      0.226 ppm2      7.125 CV     1
 ASSI { 2900}
   (( segid "    " and resid 52   and name HG3 ))
   (  segid "    " and resid 66   and name HD% )
      3.700     1.700     1.700 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.27174E-02 ppm1      0.491 ppm2      7.008 CV     1
 ASSI { 2902}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 28   and name HH2 ))
      6.000     4.500     0.000 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.600 ppm2      7.037 CV     1
 ASSI { 2903}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 28   and name HH2 ))
      2.500     0.800     0.800 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.27119E-01 ppm1      0.782 ppm2      7.040 CV     1
 ASSI { 2906}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 22   and name HD% )
      3.900     1.900     1.900 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.19717E-02 ppm1      0.863 ppm2      7.225 CV     1
 ASSI { 2908}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 66   and name HZ  ))
      3.400     3.400     2.600 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.42131E-02 ppm1      0.694 ppm2      7.097 CV     1
 ASSI { 2909}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 28   and name HZ2 ))
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.603 ppm2      7.123 CV     1
 ASSI { 2911}
   (( segid "    " and resid 52   and name HD3 ))
   (  segid "    " and resid 66   and name HD% )
      4.000     2.000     2.000 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.16465E-02 ppm1      0.825 ppm2      7.009 CV     1
 ASSI { 2912}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 28   and name HZ3 ))
      3.300     1.400     1.400 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.50419E-02 ppm1      0.225 ppm2      6.903 CV     1
 ASSI { 2915}
   (( segid "    " and resid 6    and name HG3 ))
   (  segid "    " and resid 22   and name HE% )
      3.700     1.700     1.700 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.27714E-02 ppm1      0.592 ppm2      6.711 CV     1
 OR { 2915}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 2916}
   (( segid "    " and resid 52   and name HG3 ))
   (  segid "    " and resid 62   and name HE% )
      3.400     1.400     1.400 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.47749E-02 ppm1      0.482 ppm2      6.413 CV     1
 ASSI { 2917}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.25583E-02 ppm1      0.406 ppm2      6.173 CV     1
 ASSI { 2918}
   (( segid "    " and resid 52   and name HD3 ))
   (  segid "    " and resid 62   and name HE% )
      2.900     1.000     1.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.12871E-01 ppm1      0.831 ppm2      6.412 CV     1
 ASSI { 2919}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 50   and name HD% )
      3.800     1.800     1.800 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.24891E-02 ppm1      0.819 ppm2      6.455 CV     1
 ASSI { 2923}
   (  segid "    " and resid 20   and name HD2%)
   (  segid "    " and resid 22   and name HE% )
      3.800     1.800     1.800 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.22055E-02 ppm1      0.776 ppm2      6.710 CV     1
 ASSI { 2925}
   (( segid "    " and resid 52   and name HD3 ))
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.830 ppm2      6.521 CV     1
 ASSI { 2927}
   (( segid "    " and resid 52   and name HG2 ))
   (  segid "    " and resid 62   and name HE% )
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      6.412 CV     1
 ASSI { 2928}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 62   and name HD% )
      2.300     0.600     0.600 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.49672E-01 ppm1      1.180 ppm2      6.523 CV     1
 ASSI { 2929}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 62   and name HE% )
      3.100     1.200     1.200 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.82962E-02 ppm1      1.177 ppm2      6.413 CV     1
 ASSI { 2930}
   (( segid "    " and resid 52   and name HB3 ))
   (  segid "    " and resid 62   and name HE% )
      2.900     2.900     3.100 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.11645E-01 ppm1      1.259 ppm2      6.414 CV     1
 ASSI { 2931}
   (( segid "    " and resid 52   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      6.523 CV     1
 ASSI { 2934}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 50   and name HD% )
      2.900     2.900     3.100 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.12093E-01 ppm1      1.355 ppm2      6.455 CV     1
 ASSI { 2935}
   (( segid "    " and resid 52   and name HD2 ))
   (  segid "    " and resid 62   and name HE% )
      3.000     1.100     1.100 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.98307E-02 ppm1      1.453 ppm2      6.413 CV     1
 ASSI { 2936}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      2.700     0.900     0.900 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.16866E-01 ppm1      1.594 ppm2      6.412 CV     1
 ASSI { 2937}
   (( segid "    " and resid 102  and name HB3 ))
   (  segid "    " and resid 50   and name HD% )
      2.800     2.800     3.200 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.15275E-01 ppm1      1.566 ppm2      6.455 CV     1
 ASSI { 2938}
   (( segid "    " and resid 102  and name HG3 ))
   (  segid "    " and resid 50   and name HD% )
      6.000     4.500     0.000 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.488 ppm2      6.455 CV     1
 ASSI { 2939}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      2.900     2.900     3.100 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.12613E-01 ppm1      1.596 ppm2      6.521 CV     1
 ASSI { 2940}
   (( segid "    " and resid 63   and name HG12))
   (  segid "    " and resid 62   and name HD% )
      3.100     1.200     1.200 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.73249E-02 ppm1      1.716 ppm2      6.522 CV     1
 OR { 2940}
   (( segid "    " and resid 63   and name HG13))
   (  segid "    " and resid 62   and name HD% )
 ASSI { 2941}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.400     1.400 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.54501E-02 ppm1      1.764 ppm2      6.521 CV     1
 ASSI { 2942}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 50   and name HD% )
      6.000     4.500     0.000 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.795 ppm2      6.456 CV     1
 ASSI { 2943}
   (( segid "    " and resid 102  and name HB2 ))
   (  segid "    " and resid 50   and name HD% )
      3.400     3.400     2.600 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.46352E-02 ppm1      1.891 ppm2      6.455 CV     1
 ASSI { 2944}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 50   and name HD% )
      2.900     2.900     3.100 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.12947E-01 ppm1      1.985 ppm2      6.455 CV     1
 ASSI { 2946}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 62   and name HE% )
      3.500     1.500     1.500 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.41052E-02 ppm1      2.086 ppm2      6.413 CV     1
 ASSI { 2947}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      2.700     0.900     0.900 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.16299E-01 ppm1      2.087 ppm2      6.521 CV     1
 ASSI { 2949}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 62   and name HD% )
      3.700     1.700     1.700 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.25846E-02 ppm1      1.885 ppm2      6.523 CV     1
 OR { 2949}
   (( segid "    " and resid 64   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
 ASSI { 2952}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 28   and name HZ3 ))
      3.100     3.100     2.900 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.72571E-02 ppm1      3.466 ppm2      6.903 CV     1
 ASSI { 2954}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 28   and name HZ3 ))
      3.300     1.300     1.300 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.56494E-02 ppm1      4.148 ppm2      6.904 CV     1
 ASSI { 2955}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 28   and name HZ3 ))
      2.600     0.900     0.900 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.21253E-01 ppm1      4.304 ppm2      6.903 CV     1
 ASSI { 2960}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HE22))
      4.000     4.000     2.000 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      4.280 ppm2      6.691 CV     1
 ASSI { 2966}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      3.100     1.200     1.200 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.80721E-02 ppm1      3.383 ppm2      6.522 CV     1
 ASSI { 2967}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      3.400     1.500     1.500 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.43197E-02 ppm1      3.474 ppm2      6.521 CV     1
 ASSI { 2969}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 50   and name HD% )
      2.700     0.900     0.900 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.19578E-01 ppm1      3.475 ppm2      6.455 CV     1
 ASSI { 2970}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 50   and name HD% )
      2.900     1.000     1.000 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.12462E-01 ppm1      3.566 ppm2      6.456 CV     1
 ASSI { 2977}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 62   and name HE% )
      3.300     1.400     1.400 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.53560E-02 ppm1      3.974 ppm2      6.413 CV     1
 OR { 2977}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 62   and name HE% )
 ASSI { 2978}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.952 ppm2      6.379 CV     1
 ASSI { 2982}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 50   and name HD% )
      4.000     2.000     2.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.17226E-02 ppm1      4.557 ppm2      6.456 CV     1
 ASSI { 2993}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.16756E-02 ppm1      1.965 ppm2      6.413 CV     1
 ASSI { 2994}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      3.200     1.300     1.300 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.67632E-02 ppm1      2.430 ppm2      6.413 CV     1
 OR { 2994}
   (( segid "    " and resid 101  and name HB3 ))
   (  segid "    " and resid 62   and name HE% )
 ASSI { 2996}
   (( segid "    " and resid 52   and name HE2 ))
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      6.523 CV     1
 OR { 2996}
   (( segid "    " and resid 52   and name HE3 ))
   (  segid "    " and resid 62   and name HD% )
 ASSI { 3000}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 27   and name HD% )
      5.700     4.100     0.300 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.20063E-03 ppm1      1.570 ppm2      6.378 CV     1
 ASSI { 3003}
   (( segid "    " and resid 59   and name HG3 ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      6.179 CV     1
 ASSI { 3004}
   (( segid "    " and resid 102  and name HG3 ))
   (  segid "    " and resid 50   and name HE% )
      3.900     1.900     1.900 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.18776E-02 ppm1      1.467 ppm2      6.180 CV     1
 ASSI { 3005}
   (( segid "    " and resid 102  and name HB3 ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.568 ppm2      6.180 CV     1
 ASSI { 3006}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.762 ppm2      6.175 CV     1
 ASSI { 3008}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.991 ppm2      6.178 CV     1
 ASSI { 3010}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 50   and name HE% )
      3.100     1.200     1.200 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.85176E-02 ppm1      2.677 ppm2      6.180 CV     1
 ASSI { 3012}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 50   and name HE% )
      3.100     1.200     1.200 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.73346E-02 ppm1      3.289 ppm2      6.181 CV     1
 ASSI { 3014}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.483 ppm2      6.171 CV     1
 ASSI { 3015}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 50   and name HE% )
      3.000     1.100     1.100 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.10511E-01 ppm1      3.564 ppm2      6.180 CV     1
 ASSI { 3016}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.13091E-01 ppm1      4.481 ppm2      6.167 CV     1
 ASSI { 3018}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.83530E-02 ppm1      0.404 ppm2      5.672 CV     1
 ASSI { 3024}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.94405E-02 ppm1      4.358 ppm2      5.669 CV     1
 ASSI { 3027}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.600     1.600 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.36044E-02 ppm1      4.636 ppm2      5.425 CV     1
 ASSI { 3030}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      3.400     1.400     1.400 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.46448E-02 ppm1      5.274 ppm2      0.414 CV     1
 ASSI { 3032}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.600     1.600     1.600 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.34176E-02 ppm1      5.275 ppm2      2.826 CV     1
 ASSI { 3033}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.60257E-02 ppm1      5.275 ppm2      3.432 CV     1
 ASSI { 3036}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      2.900     1.100     1.100 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.10582E-01 ppm1      5.053 ppm2      0.318 CV     1
 ASSI { 3039}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 21   and name HG  ))
      2.500     0.800     0.800 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.29416E-01 ppm1      5.007 ppm2      0.864 CV     1
 OR { 3039}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 3040}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      3.400     1.400     1.400 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.45729E-02 ppm1      4.865 ppm2      0.865 CV     1
 ASSI { 3046}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HG3 ))
      3.600     1.700     1.700 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.29610E-02 ppm1      5.384 ppm2      0.766 CV     1
 ASSI { 3049}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      3.300     1.300     1.300 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.58624E-02 ppm1      5.597 ppm2      0.671 CV     1
 ASSI { 3050}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
      3.200     1.300     1.300 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.62332E-02 ppm1      5.597 ppm2      0.988 CV     1
 OR { 3050}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
 OR { 3050}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 3051}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 23   and name HB% )
      3.700     1.700     1.700 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.26649E-02 ppm1      5.599 ppm2      1.023 CV     1
 ASSI { 3056}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      3.800     1.800     1.800 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.23826E-02 ppm1      5.664 ppm2      0.238 CV     1
 ASSI { 3057}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
      3.200     1.300     1.300 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.65432E-02 ppm1      5.054 ppm2      1.419 CV     1
 ASSI { 3059}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.53809E-02 ppm1      4.562 ppm2      4.254 CV     1
 ASSI { 3060}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     4.500     0.000 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.912 ppm2      3.242 CV     1
 ASSI { 3061}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.200     1.300     1.300 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.68144E-02 ppm1      4.946 ppm2      1.930 CV     1
 OR { 3061}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HB3 ))
 ASSI { 3064}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      3.400     1.500     1.500 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.44152E-02 ppm1      4.575 ppm2      0.240 CV     1
 ASSI { 3066}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      2.800     1.000     1.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.14085E-01 ppm1      4.480 ppm2      0.417 CV     1
 ASSI { 3067}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
      4.200     2.200     1.800 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.13200E-02 ppm1      4.564 ppm2      0.409 CV     1
 ASSI { 3068}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      3.500     1.500     1.500 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.39337E-02 ppm1      4.480 ppm2      0.601 CV     1
 ASSI { 3069}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      3.300     1.300     1.300 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.57448E-02 ppm1      4.500 ppm2      0.669 CV     1
 ASSI { 3072}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      6.000     4.500     0.000 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.478 ppm2      0.765 CV     1
 ASSI { 3073}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      3.300     1.300     1.300 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.55829E-02 ppm1      4.353 ppm2      0.826 CV     1
 ASSI { 3075}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 108  and name HD1%)
      3.600     1.600     1.600 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.32792E-02 ppm1      4.265 ppm2      0.960 CV     1
 OR { 3075}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 21   and name HD2%)
 OR { 3075}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 108  and name HD2%)
 OR { 3075}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 108  and name HD2%)
 OR { 3075}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
 ASSI { 3076}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      3.600     1.600     1.600 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.34508E-02 ppm1      4.637 ppm2      1.094 CV     1
 OR { 3076}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
 OR { 3076}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 3077}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.29167E-02 ppm1      4.483 ppm2      1.160 CV     1
 ASSI { 3078}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 57   and name HD1%)
      3.500     1.500     1.500 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.37510E-02 ppm1      4.626 ppm2      1.164 CV     1
 OR { 3078}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 57   and name HD2%)
 OR { 3078}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 57   and name HD1%)
 OR { 3078}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 3079}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.800     1.800     1.800 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.23024E-02 ppm1      4.648 ppm2      1.441 CV     1
 OR { 3079}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI { 3080}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      1.425 CV     1
 ASSI { 3081}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG12))
      6.000     4.500     0.000 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      1.624 CV     1
 OR { 3081}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG13))
 ASSI { 3082}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HG2 ))
      3.300     3.300     2.700 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.50350E-02 ppm1      4.573 ppm2      1.748 CV     1
 ASSI { 3086}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.100     1.200     1.200 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.72834E-02 ppm1      4.734 ppm2      1.868 CV     1
 ASSI { 3092}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.500     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.642 ppm2      3.298 CV     1
 ASSI { 3099}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.16078E-02 ppm1      4.278 ppm2      3.577 CV     1
 OR { 3099}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 3103}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      6.000     4.500     0.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.344 ppm2      3.682 CV     1
 OR { 3103}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 3104}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     4.500     0.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      3.827 CV     1
 OR { 3104}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 3107}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 32   and name HB2 ))
      3.300     3.300     2.700 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.49423E-02 ppm1      3.922 ppm2      3.460 CV     1
 ASSI { 3108}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.24878E-02 ppm1      3.975 ppm2      3.389 CV     1
 ASSI { 3109}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.94875E-02 ppm1      3.746 ppm2      3.390 CV     1
 ASSI { 3110}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.800     1.800     1.800 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.23134E-02 ppm1      4.146 ppm2      3.436 CV     1
 ASSI { 3111}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      3.900     1.900     1.900 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.18319E-02 ppm1      4.148 ppm2      3.472 CV     1
 ASSI { 3113}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      3.500     1.500     1.500 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.41066E-02 ppm1      3.929 ppm2      3.278 CV     1
 ASSI { 3115}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 61   and name HB3 ))
      3.600     1.600     1.600 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.31173E-02 ppm1      3.807 ppm2      2.544 CV     1
 ASSI { 3116}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 55   and name HE% )
      3.400     1.400     1.400 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.45369E-02 ppm1      4.280 ppm2      2.235 CV     1
 ASSI { 3117}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 55   and name HE% )
      3.000     1.100     1.100 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.93589E-02 ppm1      3.831 ppm2      2.235 CV     1
 OR { 3117}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 55   and name HE% )
 ASSI { 3118}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 63   and name HG12))
      3.500     1.600     1.600 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.34715E-02 ppm1      3.985 ppm2      1.715 CV     1
 OR { 3118}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 63   and name HG13))
 ASSI { 3120}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.757 ppm2      2.093 CV     1
 ASSI { 3123}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 57   and name HD1%)
      3.300     1.300     1.300 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.58735E-02 ppm1      3.874 ppm2      1.160 CV     1
 OR { 3123}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 57   and name HD1%)
 ASSI { 3129}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.800     1.800     1.800 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.23785E-02 ppm1      4.237 ppm2      1.083 CV     1
 ASSI { 3130}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 63   and name HD1%)
      3.800     1.800     1.800 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.24615E-02 ppm1      3.976 ppm2      0.824 CV     1
 ASSI { 3132}
   (( segid "    " and resid 67   and name HA2 ))
   (  segid "    " and resid 63   and name HD1%)
      4.100     2.100     1.900 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.14182E-02 ppm1      3.748 ppm2      0.830 CV     1
 ASSI { 3134}
   (( segid "    " and resid 43   and name HA1 ))
   (  segid "    " and resid 105  and name HG2%)
      3.100     1.200     1.200 peak  3134 spectrum    1 weight  0.10000E+01 volume  0.79005E-02 ppm1      4.026 ppm2      0.671 CV     1
 ASSI { 3135}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      4.000     2.000     2.000 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.16368E-02 ppm1      4.126 ppm2      0.699 CV     1
 ASSI { 3136}
   (( segid "    " and resid 43   and name HA1 ))
   (  segid "    " and resid 105  and name HD1%)
      2.800     1.000     1.000 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.13067E-01 ppm1      4.027 ppm2      0.319 CV     1
 ASSI { 3139}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.48856E-02 ppm1      3.493 ppm2     -0.819 CV     1
 ASSI { 3140}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      3.600     1.600     1.600 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.34646E-02 ppm1      3.493 ppm2      0.006 CV     1
 ASSI { 3142}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 9    and name HB% )
      2.400     0.700     0.700 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.32294E-01 ppm1      3.571 ppm2      0.239 CV     1
 ASSI { 3143}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 9    and name HB% )
      2.600     0.900     0.900 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.20367E-01 ppm1      3.492 ppm2      0.240 CV     1
 ASSI { 3144}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 105  and name HD1%)
      3.200     1.300     1.300 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.63315E-02 ppm1      3.495 ppm2      0.320 CV     1
 ASSI { 3146}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 105  and name HD1%)
      2.900     1.000     1.000 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.12172E-01 ppm1      3.369 ppm2      0.320 CV     1
 ASSI { 3147}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 105  and name HG12))
      2.500     0.800     0.800 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.29776E-01 ppm1      3.368 ppm2      0.413 CV     1
 ASSI { 3148}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 105  and name HG12))
      2.600     2.600     3.400 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.24974E-01 ppm1      3.499 ppm2      0.414 CV     1
 ASSI { 3150}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 56   and name HG2%)
      3.400     1.400     1.400 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.47030E-02 ppm1      3.372 ppm2      0.603 CV     1
 ASSI { 3151}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      3.000     1.100     1.100 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.90268E-02 ppm1      3.499 ppm2      0.601 CV     1
 ASSI { 3152}
   (( segid "    " and resid 43   and name HA2 ))
   (  segid "    " and resid 105  and name HG2%)
      3.700     1.800     1.800 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.25002E-02 ppm1      3.615 ppm2      0.671 CV     1
 ASSI { 3153}
   (( segid "    " and resid 37   and name HB3 ))
   (  segid "    " and resid 65   and name HD1%)
      3.500     3.500     2.500 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.39143E-02 ppm1      3.571 ppm2      0.698 CV     1
 ASSI { 3155}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
      2.900     1.000     1.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.12763E-01 ppm1      3.494 ppm2      0.860 CV     1
 OR { 3155}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 OR { 3155}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 104  and name HD2%)
 OR { 3155}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 21   and name HG  ))
 ASSI { 3156}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
      3.200     1.300     1.300 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.61862E-02 ppm1      3.424 ppm2      0.766 CV     1
 ASSI { 3157}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      3.700     1.700     1.700 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.28198E-02 ppm1      3.111 ppm2      0.700 CV     1
 ASSI { 3160}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 57   and name HD1%)
      2.600     0.900     0.900 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.21612E-01 ppm1      3.111 ppm2      1.162 CV     1
 OR { 3160}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 3163}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 102  and name HG2 ))
      3.600     3.600     2.400 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.31685E-02 ppm1      3.301 ppm2      1.756 CV     1
 ASSI { 3166}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 102  and name HG3 ))
      3.600     1.600     1.600 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.33442E-02 ppm1      3.663 ppm2      1.488 CV     1
 ASSI { 3167}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 102  and name HB3 ))
      4.300     2.300     1.700 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.11678E-02 ppm1      3.650 ppm2      1.558 CV     1
 ASSI { 3168}
   (( segid "    " and resid 37   and name HB3 ))
   (  segid "    " and resid 57   and name HD1%)
      2.800     2.800     3.200 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.15414E-01 ppm1      3.567 ppm2      1.159 CV     1
 ASSI { 3171}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HB3 ))
      6.000     4.500     0.000 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.283 ppm2      2.451 CV     1
 ASSI { 3172}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.296 ppm2      2.598 CV     1
 ASSI { 3173}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      3.700     1.700     1.700 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.27424E-02 ppm1      3.483 ppm2      1.843 CV     1
 ASSI { 3175}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.800     1.800     1.800 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.22968E-02 ppm1      3.469 ppm2      2.667 CV     1
 ASSI { 3185}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.500     0.000 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.511 ppm2      3.378 CV     1
 ASSI { 3186}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.435 ppm2      2.827 CV     1
 ASSI { 3187}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB3 ))
      1.800     0.400     0.400 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.23951E+00 ppm1      2.703 ppm2      2.592 CV     1
 ASSI { 3189}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 114  and name HB3 ))
      4.100     2.100     1.900 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      2.989 ppm2      2.428 CV     1
 OR { 3189}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 114  and name HB3 ))
 ASSI { 3190}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 39   and name HB3 ))
      3.900     1.900     1.900 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.19551E-02 ppm1      2.809 ppm2      2.392 CV     1
 ASSI { 3191}
   (( segid "    " and resid 55   and name HG3 ))
   (  segid "    " and resid 55   and name HE% )
      6.000     4.500     0.000 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.580 ppm2      2.235 CV     1
 ASSI { 3194}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 63   and name HG12))
      3.900     1.900     1.900 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.21031E-02 ppm1      2.728 ppm2      1.716 CV     1
 OR { 3194}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 63   and name HG13))
 ASSI { 3211}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.000     2.000     2.000 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.17544E-02 ppm1      2.822 ppm2      1.162 CV     1
 OR { 3211}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
 OR { 3211}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 57   and name HD1%)
 ASSI { 3212}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 57   and name HD1%)
      2.700     0.900     0.900 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.17890E-01 ppm1      2.542 ppm2      1.160 CV     1
 OR { 3212}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 3216}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.575 ppm2      0.953 CV     1
 ASSI { 3218}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 20   and name HD1%)
      2.700     0.900     0.900 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.17489E-01 ppm1      2.707 ppm2      0.988 CV     1
 ASSI { 3219}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 45   and name HG2%)
      3.000     1.100     1.100 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.91859E-02 ppm1      2.779 ppm2      0.954 CV     1
 ASSI { 3220}
   (( segid "    " and resid 107  and name HD3 ))
   (  segid "    " and resid 108  and name HD1%)
      3.400     1.400     1.400 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.44899E-02 ppm1      2.899 ppm2      0.953 CV     1
 OR { 3220}
   (( segid "    " and resid 107  and name HD3 ))
   (  segid "    " and resid 108  and name HD2%)
 OR { 3220}
   (( segid "    " and resid 107  and name HD2 ))
   (  segid "    " and resid 21   and name HD2%)
 OR { 3220}
   (( segid "    " and resid 107  and name HD2 ))
   (  segid "    " and resid 108  and name HD1%)
 OR { 3220}
   (( segid "    " and resid 107  and name HD2 ))
   (  segid "    " and resid 108  and name HD2%)
 OR { 3220}
   (( segid "    " and resid 107  and name HD3 ))
   (  segid "    " and resid 21   and name HD2%)
 ASSI { 3221}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 14   and name HG2 ))
      4.600     2.600     1.400 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.76791E-03 ppm1      2.963 ppm2      1.015 CV     1
 OR { 3221}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI { 3226}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
      2.900     1.100     1.100 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.10769E-01 ppm1      2.582 ppm2      0.858 CV     1
 ASSI { 3227}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 65   and name HD1%)
      3.300     1.400     1.400 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.55041E-02 ppm1      2.533 ppm2      0.699 CV     1
 ASSI { 3228}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
      3.800     1.800     1.800 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.24850E-02 ppm1      2.707 ppm2      0.827 CV     1
 OR { 3228}
   (( segid "    " and resid 120  and name HB2 ))
   (  segid "    " and resid 119  and name HD1%)
 OR { 3228}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 52   and name HD3 ))
 ASSI { 3231}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 20   and name HD2%)
      3.500     1.500     1.500 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.39613E-02 ppm1      2.707 ppm2      0.769 CV     1
 OR { 3231}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 20   and name HD2%)
 ASSI { 3232}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      2.400     0.700     0.700 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.37496E-01 ppm1      2.711 ppm2      0.411 CV     1
 OR { 3232}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 3235}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
      3.500     1.600     1.600 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.36140E-02 ppm1      2.573 ppm2      0.005 CV     1
 ASSI { 3237}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 15   and name HG13))
      3.800     1.800     1.800 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.24532E-02 ppm1      2.253 ppm2     -0.569 CV     1
 ASSI { 3239}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
      3.400     1.500     1.500 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.41371E-02 ppm1      1.840 ppm2      0.006 CV     1
 ASSI { 3240}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 42   and name HD2%)
      3.000     3.000     3.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.89590E-02 ppm1      1.749 ppm2      0.415 CV     1
 OR { 3240}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 105  and name HG13))
 OR { 3240}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 3241}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      3.100     1.200     1.200 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.78604E-02 ppm1      2.075 ppm2      0.414 CV     1
 ASSI { 3242}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 15   and name HD1%)
      2.900     1.000     1.000 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.11963E-01 ppm1      2.252 ppm2      0.411 CV     1
 ASSI { 3243}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 65   and name HD2%)
      3.400     1.400     1.400 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.47182E-02 ppm1      2.227 ppm2      0.625 CV     1
 ASSI { 3244}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 65   and name HD1%)
      2.800     2.800     3.200 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.14583E-01 ppm1      2.227 ppm2      0.699 CV     1
 ASSI { 3245}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.500     0.000 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.945 ppm2      0.698 CV     1
 OR { 3245}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 3246}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HD2%)
      4.900     3.000     1.100 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.49811E-03 ppm1      1.935 ppm2      0.626 CV     1
 ASSI { 3247}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      3.000     3.000     3.000 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.88608E-02 ppm1      1.846 ppm2      0.672 CV     1
 ASSI { 3248}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 18   and name HG3 ))
      4.000     2.000     2.000 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.16368E-02 ppm1      1.939 ppm2      0.766 CV     1
 OR { 3248}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 18   and name HG3 ))
 OR { 3248}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 20   and name HD2%)
 ASSI { 3251}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
      3.300     1.300     1.300 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.55290E-02 ppm1      2.078 ppm2      0.859 CV     1
 ASSI { 3252}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 86   and name HG1%)
      6.000     4.500     0.000 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      0.910 CV     1
 OR { 3252}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI { 3253}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 23   and name HB% )
      3.500     1.600     1.600 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.34895E-02 ppm1      2.280 ppm2      1.029 CV     1
 ASSI { 3255}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 34   and name HG3 ))
      4.100     2.100     1.900 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.14307E-02 ppm1      2.167 ppm2      1.065 CV     1
 ASSI { 3256}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 23   and name HB% )
      4.500     2.600     1.500 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.78313E-03 ppm1      1.846 ppm2      1.027 CV     1
 ASSI { 3257}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 23   and name HB% )
      3.700     1.700     1.700 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.27133E-02 ppm1      2.083 ppm2      1.026 CV     1
 ASSI { 3258}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 20   and name HD1%)
      6.000     4.500     0.000 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      0.990 CV     1
 ASSI { 3261}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 31   and name HG2 ))
      6.000     4.500     0.000 peak  3261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.383 ppm2      1.631 CV     1
 OR { 3261}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI { 3262}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HB3 ))
      6.000     4.500     0.000 peak  3262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.171 ppm2      1.878 CV     1
 ASSI { 3263}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG  ))
      6.000     4.500     0.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.074 ppm2      1.665 CV     1
 ASSI { 3264}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.081 ppm2      1.787 CV     1
 ASSI { 3266}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 57   and name HD2%)
      6.000     4.500     0.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.173 CV     1
 ASSI { 3271}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 34   and name HB3 ))
      4.500     2.500     1.500 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.83571E-03 ppm1      2.382 ppm2      1.264 CV     1
 ASSI { 3273}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 57   and name HD1%)
      2.800     1.000     1.000 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.14099E-01 ppm1      2.226 ppm2      1.168 CV     1
 OR { 3273}
   (  segid "    " and resid 55   and name HE% )
   (  segid "    " and resid 57   and name HD2%)
 ASSI { 3276}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.173 ppm2      1.951 CV     1
 ASSI { 3279}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HG3 ))
      6.000     4.500     0.000 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      1.458 CV     1
 ASSI { 3280}
   (( segid "    " and resid 42   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.900     1.100     1.100 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.11437E-01 ppm1      1.414 ppm2      0.003 CV     1
 OR { 3280}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 3281}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 33   and name HD1%)
      3.600     1.600     1.600 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.30357E-02 ppm1      1.641 ppm2      0.003 CV     1
 ASSI { 3283}
   (  segid "    " and resid 23   and name HB% )
   (  segid "    " and resid 33   and name HD1%)
      2.500     0.800     0.800 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.28946E-01 ppm1      1.017 ppm2      0.003 CV     1
 ASSI { 3285}
   (  segid "    " and resid 56   and name HD1%)
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.793 ppm2      0.006 CV     1
 ASSI { 3286}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      2.600     2.600     3.400 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.24974E-01 ppm1      0.664 ppm2      0.005 CV     1
 ASSI { 3290}
   (  segid "    " and resid 105  and name HD1%)
   (  segid "    " and resid 33   and name HD1%)
      2.400     2.400     3.600 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.32654E-01 ppm1      0.312 ppm2      0.005 CV     1
 ASSI { 3293}
   (( segid "    " and resid 105  and name HG13))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.30371E-02 ppm1      0.320 ppm2     -0.814 CV     1
 OR { 3293}
   (( segid "    " and resid 105  and name HG12))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 3298}
   (  segid "    " and resid 23   and name HB% )
   (  segid "    " and resid 33   and name HD2%)
      3.000     1.200     1.200 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.87321E-02 ppm1      1.021 ppm2     -0.814 CV     1
 ASSI { 3300}
   (( segid "    " and resid 42   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.30675E-02 ppm1      1.416 ppm2     -0.812 CV     1
 OR { 3300}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 3302}
   (( segid "    " and resid 34   and name HD2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     3.100     2.900 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.78230E-02 ppm1      1.708 ppm2     -0.814 CV     1
 OR { 3302}
   (( segid "    " and resid 34   and name HD3 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 3305}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     4.500     0.000 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.780 CV     1
 ASSI { 3306}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HG3 ))
      6.000     4.500     0.000 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.900 ppm2      1.640 CV     1
 OR { 3306}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI { 3312}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.158 CV     1
 ASSI { 3313}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB3 ))
      6.000     4.500     0.000 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.862 ppm2      0.510 CV     1
 ASSI { 3314}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.354 ppm2      8.348 CV     1
 ASSI { 3317}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.029 CV     1
 ASSI { 3318}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      2.029 CV     1
 ASSI { 3319}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      6.000     4.500     0.000 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      2.029 CV     1
 ASSI { 3330}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HE1 ))
      4.100     2.100     1.900 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.15635E-02 ppm1      7.195 ppm2      9.577 CV     1
 ASSI { 3339}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.825 ppm2      7.967 CV     1
 ASSI { 3342}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HE1 ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.488 ppm2      9.576 CV     1
 ASSI { 3343}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 5    and name HD1 ))
      3.900     1.900     1.900 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.18513E-02 ppm1      1.448 ppm2      7.207 CV     1
 OR { 3343}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HD1 ))
 OR { 3343}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 5    and name HD1 ))
 OR { 3343}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 5    and name HD1 ))
 ASSI { 3348}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.99068E-02 ppm1      8.938 ppm2      9.119 CV     1
 ASSI { 3358}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 65   and name HG  ))
      6.000     4.500     0.000 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.568 ppm2      1.463 CV     1
 OR { 3358}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 65   and name HG  ))
 OR { 3358}
   (( segid "    " and resid 52   and name HE3 ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 3360}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 21   and name HB3 ))
      3.400     1.400     1.400 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.49008E-02 ppm1      2.566 ppm2      1.851 CV     1
 ASSI { 3363}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 42   and name HD2%)
      2.800     1.000     1.000 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.14514E-01 ppm1      0.601 ppm2      0.417 CV     1
 OR { 3363}
   (( segid "    " and resid 6    and name HG3 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 3364}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 105  and name HD1%)
      3.500     1.600     1.600 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.36362E-02 ppm1      0.770 ppm2      0.320 CV     1
 ASSI { 3366}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 105  and name HD1%)
      3.400     1.400     1.400 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.48607E-02 ppm1      0.851 ppm2      0.320 CV     1
 OR { 3366}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 105  and name HD1%)
 OR { 3366}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 3367}
   (  segid "    " and resid 21   and name HD2%)
   (  segid "    " and resid 105  and name HD1%)
      3.600     1.600     1.600 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.32252E-02 ppm1      0.934 ppm2      0.320 CV     1
 ASSI { 3368}
   (  segid "    " and resid 23   and name HB% )
   (  segid "    " and resid 105  and name HD1%)
      3.400     1.500     1.500 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.41454E-02 ppm1      1.018 ppm2      0.322 CV     1
 ASSI { 3369}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 105  and name HD1%)
      3.400     1.400     1.400 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.47362E-02 ppm1      1.092 ppm2      0.317 CV     1
 ASSI { 3373}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 15   and name HD1%)
      2.600     2.600     3.400 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.24421E-01 ppm1      0.987 ppm2      0.415 CV     1
 ASSI { 3375}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 42   and name HD2%)
      6.000     4.500     0.000 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.090 ppm2      0.416 CV     1
 ASSI { 3376}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 15   and name HD1%)
      3.400     1.400     1.400 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.46822E-02 ppm1      1.196 ppm2      0.415 CV     1
 OR { 3376}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
 OR { 3376}
   (( segid "    " and resid 45   and name HG13))
   (  segid "    " and resid 42   and name HD2%)
 OR { 3376}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 105  and name HG13))
 OR { 3376}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 3386}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      0.492 CV     1
 ASSI { 3390}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      7.160 CV     1
 OR { 3390}
   (( segid "    " and resid 52   and name HD3 ))
   (  segid "    " and resid 66   and name HE% )
 ASSI { 3391}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.700     0.900     0.900 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.18776E-01 ppm1      5.387 ppm2      7.157 CV     1
 ASSI { 3393}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.858 ppm2      7.116 CV     1
 ASSI { 3394}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 50   and name HD% )
      6.000     4.500     0.000 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      6.454 CV     1
 ASSI { 3395}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.090 ppm2      6.180 CV     1
 ASSI { 3396}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 50   and name HD% )
      6.000     4.500     0.000 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      6.455 CV     1
 ASSI { 3397}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.411 ppm2      6.180 CV     1
 ASSI { 3398}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HD% )
      6.000     4.500     0.000 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.060 ppm2      6.456 CV     1
 ASSI { 3399}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.063 ppm2      6.181 CV     1
 ASSI { 3400}
   (  segid "    " and resid 50   and name HE% )
   (  segid "    " and resid 50   and name HD% )
      6.000     4.500     0.000 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.176 ppm2      6.456 CV     1
 ASSI { 3406}
   (( segid "    " and resid 109  and name HG2 ))
   (  segid "    " and resid 19   and name HD% )
      6.000     4.500     0.000 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.005 ppm2      7.160 CV     1
 OR { 3406}
   (( segid "    " and resid 109  and name HG3 ))
   (  segid "    " and resid 19   and name HD% )
 ASSI { 3407}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.900     2.900     3.100 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.11115E-01 ppm1      3.572 ppm2      7.151 CV     1
 ASSI { 3408}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.500     1.500 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.43543E-02 ppm1      7.146 ppm2      9.282 CV     1
 ASSI { 3409}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 110  and name HN  ))
      3.700     1.700     1.700 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.26759E-02 ppm1      7.147 ppm2      8.812 CV     1
 ASSI { 3412}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      3.200     1.300     1.300 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.63937E-02 ppm1      4.434 ppm2      7.158 CV     1
 ASSI { 3414}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 19   and name HE% )
      3.900     1.900     1.900 peak  3414 spectrum    1 weight  0.10000E+01 volume  0.19814E-02 ppm1      1.059 ppm2      7.297 CV     1
 ASSI { 3415}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 19   and name HD% )
      3.500     1.500     1.500 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.38728E-02 ppm1      1.061 ppm2      7.158 CV     1
 ASSI { 3416}
   (( segid "    " and resid 18   and name HG3 ))
   (  segid "    " and resid 19   and name HE% )
      3.600     1.600     1.600 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.33525E-02 ppm1      0.763 ppm2      7.298 CV     1
 ASSI { 3417}
   (( segid "    " and resid 18   and name HG3 ))
   (  segid "    " and resid 19   and name HD% )
      3.200     1.300     1.300 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.60852E-02 ppm1      0.765 ppm2      7.158 CV     1
 ASSI { 3418}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak  3418 spectrum    1 weight  0.10000E+01 volume  0.18541E-02 ppm1      1.260 ppm2      7.879 CV     1
 ASSI { 3420}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.200     1.300     1.300 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.61143E-02 ppm1      4.437 ppm2      5.388 CV     1
 ASSI { 3423}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
      3.800     1.800     1.800 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.22664E-02 ppm1      1.428 ppm2      7.298 CV     1
 ASSI { 3424}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      3.000     1.200     1.200 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.87169E-02 ppm1      1.428 ppm2      7.159 CV     1
 ASSI { 3426}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.700     2.700     3.300 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.16742E-01 ppm1      5.385 ppm2      8.810 CV     1
 ASSI { 3430}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.30426E-01 ppm1      7.116 ppm2      7.641 CV     1
 ASSI { 3431}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.37801E-01 ppm1      5.060 ppm2      8.569 CV     1
 ASSI { 3432}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.500     0.000 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.689 ppm2      7.139 CV     1
 ASSI { 3433}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.597 ppm2      6.672 CV     1
 ASSI { 3434}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HD2%)
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.077 ppm2      0.768 CV     1
 ASSI { 3435}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.867 ppm2      9.278 CV     1
 ASSI { 3436}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HE% )
      6.000     4.500     0.000 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.596 ppm2      6.709 CV     1
 ASSI { 3437}
   (  segid "    " and resid 22   and name HE% )
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.708 ppm2      7.226 CV     1
 ASSI { 3438}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.597 ppm2      8.581 CV     1
 ASSI { 3439}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.597 ppm2      6.378 CV     1
 ASSI { 3441}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HD3 ))
      6.000     4.500     0.000 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.253 ppm2      3.099 CV     1
 ASSI { 3442}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.819 ppm2      6.966 CV     1
 ASSI { 3443}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     4.500     0.000 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.516 ppm2     -0.815 CV     1
 ASSI { 3444}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.861 ppm2      0.006 CV     1
 ASSI { 3445}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.512 ppm2      0.006 CV     1
 ASSI { 3448}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.160 ppm2      6.170 CV     1
 ASSI { 3449}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      6.524 CV     1
 ASSI { 3450}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HE% )
      6.000     4.500     0.000 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      6.415 CV     1
 ASSI { 3451}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HD% )
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      7.278 CV     1
 ASSI { 3452}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.015 ppm2      8.930 CV     1
 ASSI { 3453}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD22))
      6.000     4.500     0.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.187 ppm2      6.508 CV     1
 ASSI { 3454}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HE21))
      6.000     4.500     0.000 peak  3454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      7.043 CV     1
 OR { 3454}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 112  and name HE21))
 ASSI { 3455}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HE22))
      6.000     4.500     0.000 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      6.568 CV     1
 OR { 3455}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 112  and name HE22))
 ASSI { 3456}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 28   and name HH2 ))
      4.000     2.000     2.000 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.16022E-02 ppm1      4.306 ppm2      7.043 CV     1
 ASSI { 3460}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.680 ppm2      9.359 CV     1
 ASSI { 3463}
   (( segid "    " and resid 15   and name HG13))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.573 ppm2      8.543 CV     1
 ASSI { 3464}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.46186E-01 ppm1      5.598 ppm2      8.967 CV     1
 ASSI { 3465}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.11598E-01 ppm1      9.058 ppm2      9.359 CV     1
 ASSI { 3467}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.600     0.600 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.52938E-01 ppm1      5.385 ppm2      9.282 CV     1
 ASSI { 3471}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.14473E-02 ppm1      7.207 ppm2      9.208 CV     1
 ASSI { 3472}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.16770E-01 ppm1      4.635 ppm2      9.208 CV     1
 ASSI { 3473}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.500     0.000 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.556 ppm2      1.453 CV     1
 ASSI { 3474}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.556 ppm2      1.278 CV     1
 OR { 3474}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 3475}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
      6.000     4.500     0.000 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      1.278 CV     1
 OR { 3475}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI { 3480}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      6.000     4.500     0.000 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.352 ppm2      1.279 CV     1
 OR { 3480}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 3484}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.226 ppm2      7.157 CV     1
 ASSI { 3485}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 86   and name HG1%)
      6.000     4.500     0.000 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.279 ppm2      0.913 CV     1
 OR { 3485}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 86   and name HG2%)
 OR { 3485}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 84   and name HG1%)
 ASSI { 3487}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.844 ppm2      9.129 CV     1
 ASSI { 3488}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.21612E-02 ppm1      8.614 ppm2      9.139 CV     1
 ASSI { 3490}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.660 ppm2      6.955 CV     1
 ASSI { 3491}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.23245E-02 ppm1      8.739 ppm2      9.243 CV     1
 ASSI { 3492}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HG2 ))
      6.000     4.500     0.000 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      1.638 CV     1
 OR { 3492}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI { 3493}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  3493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.469 ppm2      6.959 CV     1
 ASSI { 3495}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      1.425 CV     1
 OR { 3495}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 3496}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.912 ppm2      3.265 CV     1
 ASSI { 3498}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name HD2%)
      6.000     4.500     0.000 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.158 ppm2      0.416 CV     1
 ASSI { 3499}
   (( segid "    " and resid 42   and name HG  ))
   (  segid "    " and resid 42   and name HD2%)
      6.000     4.500     0.000 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.424 ppm2      0.409 CV     1
 ASSI { 3500}
   (( segid "    " and resid 42   and name HG  ))
   (  segid "    " and resid 42   and name HD1%)
      6.000     4.500     0.000 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.422 ppm2      0.762 CV     1
 ASSI { 3501}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HG13))
      6.000     4.500     0.000 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.406 ppm2      1.216 CV     1
 ASSI { 3502}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HG2%)
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.406 ppm2      0.956 CV     1
 ASSI { 3503}
   (( segid "    " and resid 45   and name HG13))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      0.861 CV     1
 ASSI { 3504}
   (( segid "    " and resid 45   and name HG13))
   (  segid "    " and resid 45   and name HG2%)
      6.000     4.500     0.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.214 ppm2      0.955 CV     1
 ASSI { 3505}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.409 ppm2      0.860 CV     1
 ASSI { 3507}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.62734E-02 ppm1      6.513 ppm2      8.415 CV     1
 ASSI { 3508}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  3508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.733 ppm2      9.117 CV     1
 ASSI { 3509}
   (( segid "    " and resid 84   and name HB  ))
   (  segid "    " and resid 84   and name HG2%)
      6.000     4.500     0.000 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.071 ppm2      0.912 CV     1
 OR { 3509}
   (( segid "    " and resid 84   and name HB  ))
   (  segid "    " and resid 84   and name HG1%)
 ASSI { 3511}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.102 ppm2      8.404 CV     1
 ASSI { 3512}
   (( segid "    " and resid 96   and name HG3 ))
   (( segid "    " and resid 96   and name HB3 ))
      6.000     4.500     0.000 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.108 ppm2      1.878 CV     1
 ASSI { 3513}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.310 ppm2      2.048 CV     1
 OR { 3513}
   (( segid "    " and resid 100  and name HG3 ))
   (( segid "    " and resid 100  and name HB3 ))
 OR { 3513}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI { 3514}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG2 ))
      6.000     4.500     0.000 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.756 CV     1
 ASSI { 3515}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HB3 ))
      6.000     4.500     0.000 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.559 CV     1
 ASSI { 3516}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HG3 ))
      6.000     4.500     0.000 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.486 CV     1
 ASSI { 3517}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HG3 ))
      6.000     4.500     0.000 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.754 ppm2      1.486 CV     1
 ASSI { 3518}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 102  and name HB3 ))
      6.000     4.500     0.000 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.754 ppm2      1.559 CV     1
 ASSI { 3519}
   (( segid "    " and resid 108  and name HB3 ))
   (  segid "    " and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.619 ppm2      0.959 CV     1
 OR { 3519}
   (( segid "    " and resid 108  and name HB2 ))
   (  segid "    " and resid 108  and name HD2%)
 OR { 3519}
   (( segid "    " and resid 108  and name HB3 ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 3520}
   (( segid "    " and resid 108  and name HG  ))
   (  segid "    " and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      0.959 CV     1
 OR { 3520}
   (( segid "    " and resid 108  and name HG  ))
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 3521}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 112  and name HB3 ))
      6.000     4.500     0.000 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      1.775 CV     1
 OR { 3521}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HB2 ))
 OR { 3521}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI { 3522}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 28   and name HH2 ))
      6.000     4.500     0.000 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.226 ppm2      7.040 CV     1
 ASSI { 3523}
   (( segid "    " and resid 113  and name HB3 ))
   (  segid "    " and resid 113  and name HD% )
      6.000     4.500     0.000 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.005 ppm2      7.151 CV     1
 OR { 3523}
   (( segid "    " and resid 113  and name HB2 ))
   (  segid "    " and resid 113  and name HD% )
 ASSI { 3524}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     0.800     0.800 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.26400E-01 ppm1      8.280 ppm2      8.928 CV     1
 ASSI { 3526}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 51   and name HG2%)
      2.800     0.900     0.900 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.15843E-01 ppm1      2.446 ppm2      1.094 CV     1
 OR { 3526}
   (( segid "    " and resid 24   and name HG3 ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 3528}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.38977E-02 ppm1      0.950 ppm2      7.640 CV     1
 ASSI { 3534}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.500     1.500 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.41412E-02 ppm1      3.921 ppm2      8.087 CV     1
 ASSI { 3535}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak  3535 spectrum    1 weight  0.10000E+01 volume  0.12619E-02 ppm1      2.585 ppm2      5.603 CV     1
 OR { 3535}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 3535}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 3537}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.600     1.600 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.34743E-02 ppm1      3.426 ppm2      8.934 CV     1
 OR { 3537}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 3539}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.972 ppm2      9.063 CV     1
 OR { 3539}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 106  and name HN  ))
 OR { 3539}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 3540}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 19   and name HE% )
      3.900     1.900     1.900 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.18541E-02 ppm1      4.434 ppm2      7.299 CV     1
 ASSI { 3541}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.45577E-02 ppm1      2.599 ppm2      7.877 CV     1
 ASSI { 3542}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.300     2.300     1.700 peak  3542 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      4.633 ppm2      7.879 CV     1
 ASSI { 3544}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.200     1.300     1.300 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.60299E-02 ppm1      2.281 ppm2      9.577 CV     1
 ASSI { 3545}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.413 ppm2      8.665 CV     1
 ASSI { 3546}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.403 ppm2      8.538 CV     1
 ASSI { 3548}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  3548 spectrum    1 weight  0.10000E+01 volume  0.59787E-02 ppm1      5.012 ppm2      9.357 CV     1
 ASSI { 3553}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 22   and name HD% )
      3.300     1.400     1.400 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.50074E-02 ppm1      6.358 ppm2      7.224 CV     1
 ASSI { 3555}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 22   and name HE% )
      3.100     1.200     1.200 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.75781E-02 ppm1      6.358 ppm2      6.709 CV     1
 ASSI { 3556}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 22   and name HE% )
      3.300     1.400     1.400 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.54501E-02 ppm1      6.380 ppm2      6.709 CV     1
 ASSI { 3560}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      3.300     1.400     1.400 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.54681E-02 ppm1      4.575 ppm2      6.379 CV     1
 ASSI { 3569}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.819 ppm2      8.348 CV     1
 ASSI { 3571}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.200     1.300     1.300 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.65584E-02 ppm1      4.151 ppm2      1.266 CV     1
 ASSI { 3573}
   (( segid "    " and resid 54   and name HA1 ))
   (  segid "    " and resid 51   and name HG2%)
      4.300     2.300     1.700 peak  3573 spectrum    1 weight  0.10000E+01 volume  0.11761E-02 ppm1      4.149 ppm2      1.094 CV     1
 ASSI { 3575}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 28   and name HZ2 ))
      3.000     1.100     1.100 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.10338E-01 ppm1      0.782 ppm2      7.125 CV     1
 ASSI { 3576}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.829 ppm2      7.815 CV     1
 ASSI { 3577}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      0.949 CV     1
 ASSI { 3578}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      0.492 CV     1
 ASSI { 3579}
   (( segid "    " and resid 52   and name HE3 ))
   (( segid "    " and resid 52   and name HD2 ))
      6.000     4.500     0.000 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.580 ppm2      1.451 CV     1
 OR { 3579}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HD2 ))
 ASSI { 3580}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.577 ppm2      0.945 CV     1
 ASSI { 3581}
   (( segid "    " and resid 52   and name HE3 ))
   (( segid "    " and resid 52   and name HD3 ))
      6.000     4.500     0.000 peak  3581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.580 ppm2      0.830 CV     1
 OR { 3581}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HD3 ))
 ASSI { 3582}
   (( segid "    " and resid 52   and name HE2 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.578 ppm2      0.492 CV     1
 OR { 3582}
   (( segid "    " and resid 52   and name HE3 ))
   (( segid "    " and resid 52   and name HG3 ))
 ASSI { 3583}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG2 ))
      6.000     4.500     0.000 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.945 CV     1
 ASSI { 3584}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HD3 ))
      6.000     4.500     0.000 peak  3584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.830 CV     1
 ASSI { 3585}
   (( segid "    " and resid 52   and name HD2 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.492 CV     1
 ASSI { 3586}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.948 ppm2      0.492 CV     1
 ASSI { 3587}
   (( segid "    " and resid 52   and name HD3 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.831 ppm2      0.492 CV     1
 ASSI { 3588}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.817 CV     1
 ASSI { 3589}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  3589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      1.590 CV     1
 ASSI { 3590}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak  3590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      1.265 CV     1
 ASSI { 3593}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.72571E-02 ppm1      1.638 ppm2      9.358 CV     1
 ASSI { 3594}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      8.112 CV     1
 ASSI { 3595}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      8.328 CV     1
 ASSI { 3596}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB3 ))
      6.000     4.500     0.000 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      1.917 CV     1
 ASSI { 3597}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      2.393 CV     1
 ASSI { 3598}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.579 ppm2      2.394 CV     1
 ASSI { 3599}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      2.394 CV     1
 ASSI { 3600}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      8.579 CV     1
 ASSI { 3603}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.11221E-02 ppm1      7.820 ppm2      8.105 CV     1
 ASSI { 3604}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.513 ppm2      8.833 CV     1
 ASSI { 3605}
   (  segid "    " and resid 50   and name HD% )
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.448 ppm2      8.844 CV     1
 ASSI { 3606}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.23024E-01 ppm1      8.103 ppm2      7.866 CV     1
 ASSI { 3609}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.999 ppm2      9.241 CV     1
 ASSI { 3610}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.011 ppm2      9.273 CV     1
 ASSI { 3612}
   (( segid "    " and resid 109  and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      3.400     1.400     1.400 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.44650E-02 ppm1      1.924 ppm2      7.161 CV     1
 OR { 3612}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
 ASSI { 3613}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.11533E-01 ppm1      3.923 ppm2      7.610 CV     1
 ASSI { 3615}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.263 ppm2      8.286 CV     1
 ASSI { 3616}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.242 ppm2      8.286 CV     1
 ASSI { 3617}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.36583E-02 ppm1      4.154 ppm2      8.288 CV     1
 ASSI { 3618}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      4.300     2.400     1.700 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.10433E-02 ppm1      3.568 ppm2      8.810 CV     1
 ASSI { 3619}
   (( segid "    " and resid 28   and name HH2 ))
   (( segid "    " and resid 28   and name HE1 ))
      6.000     4.500     0.000 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      9.576 CV     1
 ASSI { 3620}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.144 ppm2      9.137 CV     1
 ASSI { 3621}
   (( segid "    " and resid 28   and name HH2 ))
   (( segid "    " and resid 28   and name HZ3 ))
      6.000     4.500     0.000 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.040 ppm2      6.903 CV     1
 ASSI { 3622}
   (( segid "    " and resid 28   and name HH2 ))
   (( segid "    " and resid 28   and name HZ2 ))
      6.000     4.500     0.000 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.040 ppm2      7.125 CV     1
 ASSI { 3623}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 28   and name HH2 ))
      6.000     4.500     0.000 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.818 ppm2      7.040 CV     1
 ASSI { 3624}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.819 ppm2      6.954 CV     1
 ASSI { 3627}
   (( segid "    " and resid 107  and name HD2 ))
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.908 ppm2      7.224 CV     1
 OR { 3627}
   (( segid "    " and resid 107  and name HD3 ))
   (  segid "    " and resid 22   and name HD% )
 ASSI { 3630}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 22   and name HE% )
      6.000     4.500     0.000 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.705 ppm2      6.710 CV     1
 OR { 3630}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 3631}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.706 ppm2      7.224 CV     1
 ASSI { 3634}
   (( segid "    " and resid 6    and name HG3 ))
   (  segid "    " and resid 22   and name HD% )
      3.500     1.500     1.500 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.39586E-02 ppm1      0.592 ppm2      7.225 CV     1
 OR { 3634}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 22   and name HD% )
 ASSI { 3636}
   (  segid "    " and resid 20   and name HD1%)
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.973 ppm2      7.225 CV     1
 ASSI { 3638}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.14819E-02 ppm1      2.433 ppm2      7.204 CV     1
 OR { 3638}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 3638}
   (( segid "    " and resid 114  and name HB3 ))
   (  segid "    " and resid 113  and name HE% )
 ASSI { 3640}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 22   and name HD% )
      6.000     4.500     0.000 peak  3640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.580 ppm2      7.226 CV     1
 ASSI { 3643}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak  3643 spectrum    1 weight  0.10000E+01 volume  0.12439E-02 ppm1      3.823 ppm2      8.332 CV     1
 OR { 3643}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 3650}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 62   and name HD% )
      6.000     4.500     0.000 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.812 ppm2      6.521 CV     1
 ASSI { 3651}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      3.600     1.600     1.600 peak  3651 spectrum    1 weight  0.10000E+01 volume  0.34383E-02 ppm1      2.414 ppm2      6.518 CV     1
 ASSI { 3652}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.509 ppm2      7.644 CV     1
 ASSI { 3653}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.519 ppm2      7.644 CV     1
 ASSI { 3654}
   (  segid "    " and resid 108  and name HD2%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.960 ppm2      7.548 CV     1
 OR { 3654}
   (  segid "    " and resid 108  and name HD1%)
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 3655}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.500     0.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      7.561 CV     1
 ASSI { 3656}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 44   and name HN  ))
      4.000     2.000     2.000 peak  3656 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      1.215 ppm2      7.561 CV     1
 ASSI { 3657}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.500     0.000 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.400 ppm2      7.559 CV     1
 ASSI { 3658}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.200     1.900 peak  3658 spectrum    1 weight  0.10000E+01 volume  0.13629E-02 ppm1      2.683 ppm2      8.968 CV     1
 ASSI { 3659}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      4.500     2.500     1.500 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.85647E-03 ppm1      2.711 ppm2      8.960 CV     1
 OR { 3659}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 3660}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.100     1.900 peak  3660 spectrum    1 weight  0.10000E+01 volume  0.14583E-02 ppm1      2.894 ppm2      8.968 CV     1
 ASSI { 3661}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.25874E-02 ppm1      8.944 ppm2      9.353 CV     1
 ASSI { 3662}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      0.857 ppm2      6.673 CV     1
 ASSI { 3664}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  3664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      8.219 CV     1
 ASSI { 3665}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.702 ppm2      8.214 CV     1
 ASSI { 3668}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.61129E-02 ppm1      0.400 ppm2      9.134 CV     1
 ASSI { 3670}
   (( segid "    " and resid 100  and name HG3 ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.309 ppm2      8.219 CV     1
 OR { 3670}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 101  and name HN  ))
 ASSI { 3671}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.759 ppm2      8.209 CV     1
 OR { 3671}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 3672}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.558 ppm2      8.211 CV     1
 ASSI { 3673}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.441 ppm2      8.571 CV     1
 ASSI { 3675}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.12508E-02 ppm1      8.363 ppm2      9.209 CV     1
 ASSI { 3678}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.700     1.400 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.69873E-03 ppm1      2.244 ppm2      8.137 CV     1
 ASSI { 3680}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.084 ppm2      9.279 CV     1
 ASSI { 3681}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.18831E-02 ppm1      7.874 ppm2      9.280 CV     1
 ASSI { 3682}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.005 ppm2      6.956 CV     1
 ASSI { 3684}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      3.000     3.000     3.000 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.90268E-02 ppm1      4.505 ppm2      0.318 CV     1
 ASSI { 3686}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.381 ppm2      8.491 CV     1
 ASSI { 3687}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 55   and name HE% )
      6.000     4.500     0.000 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.636 ppm2      2.235 CV     1
 ASSI { 3692}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.300 ppm2      0.960 CV     1
 OR { 3692}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 108  and name HD2%)
 ASSI { 3694}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 105  and name HG2%)
      2.700     0.900     0.900 peak  3694 spectrum    1 weight  0.10000E+01 volume  0.17157E-01 ppm1      0.860 ppm2      0.672 CV     1
 ASSI { 3695}
   (  segid "    " and resid 23   and name HB% )
   (  segid "    " and resid 105  and name HG2%)
      3.400     1.500     1.500 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.43916E-02 ppm1      1.007 ppm2      0.672 CV     1
 ASSI { 3696}
   (( segid "    " and resid 107  and name HB3 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.638 ppm2      0.673 CV     1
 ASSI { 3699}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      3.000     1.100     1.100 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.90863E-02 ppm1      4.361 ppm2      0.239 CV     1
 ASSI { 3702}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 105  and name HD1%)
      3.600     1.700     1.700 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.29610E-02 ppm1      4.636 ppm2      0.323 CV     1
 ASSI { 3703}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HG3 ))
      6.000     4.500     0.000 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      0.492 CV     1
 ASSI { 3704}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 15   and name HG2%)
      4.400     2.400     1.600 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.96301E-03 ppm1      2.707 ppm2      0.864 CV     1
 OR { 3704}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 3707}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.267 ppm2      6.378 CV     1
 OR { 3707}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 27   and name HD% )
 OR { 3707}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
 ASSI { 3708}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      4.500     2.600     1.500 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.79974E-03 ppm1      0.858 ppm2      9.237 CV     1
 ASSI { 3709}
   (( segid "    " and resid 56   and name HG13))
   (  segid "    " and resid 56   and name HD1%)
      6.000     4.500     0.000 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.616 ppm2      0.788 CV     1
 OR { 3709}
   (( segid "    " and resid 56   and name HG12))
   (  segid "    " and resid 56   and name HD1%)
 ASSI { 3710}
   (( segid "    " and resid 56   and name HG13))
   (  segid "    " and resid 56   and name HG2%)
      6.000     4.500     0.000 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.616 ppm2      0.601 CV     1
 OR { 3710}
   (( segid "    " and resid 56   and name HG12))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 3711}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      8.631 CV     1
 ASSI { 3712}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      5.598 CV     1
 ASSI { 3713}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.849 ppm2      0.858 CV     1
 ASSI { 3715}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.500     0.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.638 ppm2      1.195 CV     1
 ASSI { 3716}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 21   and name HD2%)
      6.000     4.500     0.000 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.636 ppm2      0.950 CV     1
 ASSI { 3717}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.640 ppm2      0.858 CV     1
 ASSI { 3718}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG  ))
      6.000     4.500     0.000 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.196 ppm2      0.858 CV     1
 ASSI { 3719}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 21   and name HD2%)
      6.000     4.500     0.000 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.196 ppm2      0.950 CV     1
 ASSI { 3721}
   (( segid "    " and resid 108  and name HB3 ))
   (  segid "    " and resid 22   and name HE% )
      3.300     1.400     1.400 peak  3721 spectrum    1 weight  0.10000E+01 volume  0.52080E-02 ppm1      1.637 ppm2      6.710 CV     1
 OR { 3721}
   (( segid "    " and resid 108  and name HB2 ))
   (  segid "    " and resid 22   and name HE% )
 OR { 3721}
   (( segid "    " and resid 108  and name HG  ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 3722}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 66   and name HN  ))
      3.700     1.700     1.700 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.26012E-02 ppm1      0.696 ppm2      8.101 CV     1
 ASSI { 3726}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 28   and name HE1 ))
      3.900     1.900     1.900 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.19952E-02 ppm1     -0.003 ppm2      9.578 CV     1
 ASSI { 3727}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.19661E-02 ppm1     -0.001 ppm2      9.801 CV     1
 ASSI { 3728}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
      4.100     2.100     1.900 peak  3728 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      0.405 ppm2      9.571 CV     1
 ASSI { 3733}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  3733 spectrum    1 weight  0.10000E+01 volume  0.20312E-02 ppm1      1.157 ppm2      9.801 CV     1
 ASSI { 3737}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 27   and name HE% )
      6.000     4.500     0.000 peak  3737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      6.369 CV     1
 ASSI { 3738}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      6.378 CV     1
 ASSI { 3739}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HE% )
      6.000     4.500     0.000 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.702 ppm2      6.369 CV     1
 OR { 3739}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HE% )
 ASSI { 3740}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 27   and name HE% )
      6.000     4.500     0.000 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      6.369 CV     1
 ASSI { 3741}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 27   and name HE% )
      6.000     4.500     0.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.899 ppm2      6.369 CV     1
 ASSI { 3743}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.899 ppm2      6.378 CV     1
 ASSI { 3744}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      6.000     4.500     0.000 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.267 ppm2      6.369 CV     1
 OR { 3744}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 27   and name HD% )
 OR { 3744}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 27   and name HE% )
 OR { 3744}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
 ASSI { 3745}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HE% )
      6.000     4.500     0.000 peak  3745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.597 ppm2      6.369 CV     1
 ASSI { 3746}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.474 ppm2      6.179 CV     1
 ASSI { 3749}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 42   and name HN  ))
      4.300     2.300     1.700 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.11138E-02 ppm1     -0.005 ppm2      7.949 CV     1
 ASSI { 3750}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.579 ppm2      8.329 CV     1
 ASSI { 3751}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      8.329 CV     1
 ASSI { 3752}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 33   and name HD2%)
      3.900     3.900     2.100 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.18776E-02 ppm1      0.235 ppm2     -0.814 CV     1
 ASSI { 3754}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.24891E-02 ppm1      4.257 ppm2      9.187 CV     1
 ASSI { 3755}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 5    and name HE3 ))
      3.200     1.300     1.300 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.61419E-02 ppm1      1.439 ppm2      7.529 CV     1
 ASSI { 3756}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     4.500     0.000 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.253 ppm2      7.529 CV     1
 ASSI { 3762}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  3762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      5.603 CV     1
 ASSI { 3765}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  3765 spectrum    1 weight  0.10000E+01 volume  0.33636E-02 ppm1      8.282 ppm2      8.581 CV     1
 ASSI { 3772}
   (  segid "    " and resid 50   and name HE% )
   (  segid "    " and resid 62   and name HD% )
      2.900     1.000     1.000 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.11974E-01 ppm1      6.178 ppm2      6.523 CV     1
 ASSI { 3774}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 51   and name HG2%)
      6.000     4.500     0.000 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2      1.095 CV     1
 ASSI { 3775}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 51   and name HG2%)
      6.000     4.500     0.000 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.086 ppm2      1.095 CV     1
 ASSI { 3776}
   (( segid "    " and resid 52   and name HD2 ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      7.161 CV     1
 ASSI { 3777}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      8.546 CV     1
 ASSI { 3778}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak  3778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      8.545 CV     1
 ASSI { 3779}
   (( segid "    " and resid 24   and name HG3 ))
   (  segid "    " and resid 104  and name HD1%)
      2.900     1.100     1.100 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.10769E-01 ppm1      2.450 ppm2      0.889 CV     1
 OR { 3779}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 104  and name HD1%)
 ASSI { 3780}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 15   and name HG2%)
      6.000     4.500     0.000 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.784 ppm2      0.859 CV     1
 ASSI { 3782}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      6.000     4.500     0.000 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.795 ppm2      0.700 CV     1
 ASSI { 3786}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.906 ppm2      6.675 CV     1
 ASSI { 3787}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.066 ppm2      0.764 CV     1
 ASSI { 3789}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HE  ))
      3.800     1.800     1.800 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.22650E-02 ppm1      3.367 ppm2      7.269 CV     1
 ASSI { 3791}
   (( segid "    " and resid 15   and name HG12))
   (( segid "    " and resid 7    and name HE  ))
      4.500     2.600     1.500 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.79974E-03 ppm1      1.260 ppm2      7.267 CV     1
 ASSI { 3792}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.662 ppm2      7.150 CV     1
 ASSI { 3794}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
      4.100     2.100     1.900 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.14929E-02 ppm1      2.569 ppm2      1.637 CV     1
 ASSI { 3795}
   (( segid "    " and resid 52   and name HB3 ))
   (  segid "    " and resid 66   and name HE% )
      6.000     4.500     0.000 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.161 CV     1
 ASSI { 3796}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      6.000     4.500     0.000 peak  3796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.261 ppm2      7.157 CV     1
 ASSI { 3797}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB3 ))
      6.000     4.500     0.000 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      1.267 CV     1
 ASSI { 3798}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HD2 ))
      6.000     4.500     0.000 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      1.452 CV     1
 ASSI { 3799}
   (( segid "    " and resid 107  and name HG2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.595 ppm2      0.673 CV     1
 ASSI { 3800}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 28   and name HZ3 ))
      2.800     1.000     1.000 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.15607E-01 ppm1      3.919 ppm2      6.902 CV     1
 ASSI { 3802}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 5    and name HZ3 ))
      6.000     4.500     0.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.015 ppm2      6.955 CV     1
 OR { 3802}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 5    and name HZ3 ))
 ASSI { 3803}
   (  segid "    " and resid 23   and name HB% )
   (( segid "    " and resid 28   and name HD1 ))
      6.000     4.500     0.000 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      6.955 CV     1
 ASSI { 3804}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.459 ppm2      9.242 CV     1
 ASSI { 3805}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      7.154 CV     1
 ASSI { 3806}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.603 ppm2      7.158 CV     1
 ASSI { 3807}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 50   and name HD% )
      3.800     1.800     1.800 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.24850E-02 ppm1      1.770 ppm2      6.456 CV     1
 OR { 3807}
   (( segid "    " and resid 102  and name HG2 ))
   (  segid "    " and resid 50   and name HD% )
 ASSI { 3808}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 50   and name HE% )
      6.000     4.500     0.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      6.180 CV     1
 ASSI { 3811}
   (  segid "    " and resid 105  and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  3811 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      0.311 ppm2      9.801 CV     1
 ASSI { 3813}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.700     1.300 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.67383E-03 ppm1      9.144 ppm2      9.354 CV     1
 ASSI { 3814}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     3.700     2.300 peak  3814 spectrum    1 weight  0.10000E+01 volume  0.29084E-02 ppm1      8.805 ppm2      9.281 CV     1
 ASSI { 3815}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.400     2.400     1.600 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.92288E-03 ppm1      8.348 ppm2      8.934 CV     1
 OR { 3815}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 3816}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      5.000     3.200     1.000 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.43308E-03 ppm1      8.544 ppm2      9.126 CV     1
 OR { 3816}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 3817}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 13   and name HN  ))
      5.100     3.200     0.900 peak  3817 spectrum    1 weight  0.10000E+01 volume  0.39987E-03 ppm1      7.257 ppm2      9.186 CV     1
 ASSI { 3820}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  3820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.384 ppm2      9.361 CV     1
 ASSI { 3821}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 23   and name HN  ))
      5.200     3.400     0.800 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.34176E-03 ppm1      6.359 ppm2      8.968 CV     1
 ASSI { 3822}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.385 ppm2      8.967 CV     1
 ASSI { 3824}
   (( segid "    " and resid 102  and name HG2 ))
   (( segid "    " and resid 103  and name HN  ))
      4.000     2.000     2.000 peak  3824 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      1.744 ppm2      8.951 CV     1
 ASSI { 3827}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.176 ppm2      8.844 CV     1
 ASSI { 3828}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     3.000     3.000 peak  3828 spectrum    1 weight  0.10000E+01 volume  0.93755E-02 ppm1      7.218 ppm2      8.582 CV     1
 ASSI { 3831}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      4.700     2.800     1.300 peak  3831 spectrum    1 weight  0.10000E+01 volume  0.62817E-03 ppm1      3.519 ppm2      7.606 CV     1
 ASSI { 3833}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 28   and name HH2 ))
      5.400     3.700     0.600 peak  3833 spectrum    1 weight  0.10000E+01 volume  0.27396E-03 ppm1      3.089 ppm2      7.037 CV     1
 OR { 3833}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 28   and name HH2 ))
 ASSI { 3834}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 19   and name HZ  ))
      3.700     1.700     1.700 peak  3834 spectrum    1 weight  0.10000E+01 volume  0.28434E-02 ppm1      2.822 ppm2      7.247 CV     1
 OR { 3834}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 19   and name HZ  ))
 ASSI { 3836}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 19   and name HZ  ))
      4.900     3.100     1.100 peak  3836 spectrum    1 weight  0.10000E+01 volume  0.47735E-03 ppm1      1.923 ppm2      7.247 CV     1
 OR { 3836}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 19   and name HZ  ))
 ASSI { 3837}
   (( segid "    " and resid 109  and name HG2 ))
   (  segid "    " and resid 19   and name HE% )
      4.400     2.400     1.600 peak  3837 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      2.010 ppm2      7.299 CV     1
 OR { 3837}
   (( segid "    " and resid 109  and name HG3 ))
   (  segid "    " and resid 19   and name HE% )
 ASSI { 3838}
   (( segid "    " and resid 109  and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
      4.400     2.500     1.600 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.91735E-03 ppm1      1.916 ppm2      7.299 CV     1
 OR { 3838}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
 ASSI { 3840}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 66   and name HD% )
      3.000     1.100     1.100 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.92205E-02 ppm1      1.290 ppm2      7.006 CV     1
 ASSI { 3841}
   (  segid "    " and resid 63   and name HD1%)
   (  segid "    " and resid 97   and name HD% )
      3.100     1.200     1.200 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.80071E-02 ppm1      0.818 ppm2      7.277 CV     1
 ASSI { 3842}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 28   and name HZ3 ))
      3.400     1.400     1.400 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.48814E-02 ppm1      0.782 ppm2      6.901 CV     1
 ASSI { 3843}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 28   and name HD1 ))
      4.000     2.000     2.000 peak  3843 spectrum    1 weight  0.10000E+01 volume  0.15787E-02 ppm1      0.405 ppm2      6.956 CV     1
 OR { 3843}
   (( segid "    " and resid 105  and name HG13))
   (( segid "    " and resid 28   and name HD1 ))
 OR { 3843}
   (( segid "    " and resid 105  and name HG12))
   (( segid "    " and resid 28   and name HD1 ))
 OR { 3843}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3844}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 22   and name HE% )
      5.000     3.100     1.000 peak  3844 spectrum    1 weight  0.10000E+01 volume  0.44691E-03 ppm1      0.856 ppm2      6.710 CV     1
 OR { 3844}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 22   and name HE% )
 ASSI { 3845}
   (( segid "    " and resid 6    and name HE2 ))
   (  segid "    " and resid 22   and name HE% )
      2.900     2.900     3.100 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.11364E-01 ppm1      2.448 ppm2      6.709 CV     1
 OR { 3845}
   (( segid "    " and resid 6    and name HE3 ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 3846}
   (( segid "    " and resid 52   and name HE2 ))
   (  segid "    " and resid 62   and name HE% )
      4.300     2.300     1.700 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.11304E-02 ppm1      2.578 ppm2      6.413 CV     1
 OR { 3846}
   (( segid "    " and resid 52   and name HE3 ))
   (  segid "    " and resid 62   and name HE% )
 ASSI { 3848}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HE% )
      3.600     1.600     1.600 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.33761E-02 ppm1      2.909 ppm2      6.710 CV     1
 OR { 3848}
   (( segid "    " and resid 107  and name HD2 ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 3849}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 50   and name HD% )
      3.100     1.200     1.200 peak  3849 spectrum    1 weight  0.10000E+01 volume  0.77123E-02 ppm1      3.186 ppm2      6.455 CV     1
 OR { 3849}
   (( segid "    " and resid 59   and name HD3 ))
   (  segid "    " and resid 50   and name HD% )
 ASSI { 3850}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 62   and name HE% )
      3.600     3.600     2.400 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.31187E-02 ppm1      3.289 ppm2      6.412 CV     1
 ASSI { 3851}
   (( segid "    " and resid 67   and name HA1 ))
   (  segid "    " and resid 62   and name HD% )
      4.200     2.200     1.800 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.11996E-02 ppm1      3.975 ppm2      6.522 CV     1
 ASSI { 3856}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  3856 spectrum    1 weight  0.10000E+01 volume  0.25403E-02 ppm1      4.229 ppm2      5.282 CV     1
 OR { 3856}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 3857}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.10806E-02 ppm1      3.491 ppm2      5.604 CV     1
 OR { 3857}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 3857}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR { 3857}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 3859}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      4.900     2.900     1.100 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.53270E-03 ppm1      4.483 ppm2      3.791 CV     1
 OR { 3859}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 3860}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      5.300     3.600     0.700 peak  3860 spectrum    1 weight  0.10000E+01 volume  0.29748E-03 ppm1      4.461 ppm2      3.766 CV     1
 ASSI { 3862}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 34   and name HE2 ))
      5.000     3.100     1.000 peak  3862 spectrum    1 weight  0.10000E+01 volume  0.46075E-03 ppm1      3.877 ppm2      3.065 CV     1
 OR { 3862}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 34   and name HE3 ))
 OR { 3862}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 34   and name HE2 ))
 OR { 3862}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 34   and name HE3 ))
 ASSI { 3864}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.500     2.500     1.500 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.87030E-03 ppm1      3.349 ppm2      3.071 CV     1
 OR { 3864}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HD3 ))
 ASSI { 3865}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      5.400     3.600     0.600 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.29333E-03 ppm1      4.586 ppm2      3.082 CV     1
 OR { 3865}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
 OR { 3865}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 34   and name HE2 ))
 ASSI { 3866}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.800     2.900     1.200 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.55345E-03 ppm1      5.613 ppm2      3.488 CV     1
 OR { 3866}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR { 3866}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
 ASSI { 3868}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.900     2.900     1.100 peak  3868 spectrum    1 weight  0.10000E+01 volume  0.53270E-03 ppm1      4.256 ppm2      2.905 CV     1
 ASSI { 3869}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
      4.000     2.000     2.000 peak  3869 spectrum    1 weight  0.10000E+01 volume  0.17268E-02 ppm1      4.262 ppm2      2.677 CV     1
 ASSI { 3874}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 99   and name HB2 ))
      4.700     2.700     1.300 peak  3874 spectrum    1 weight  0.10000E+01 volume  0.67106E-03 ppm1      3.169 ppm2      2.790 CV     1
 OR { 3874}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI { 3875}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 80   and name HB2 ))
      4.700     2.700     1.300 peak  3875 spectrum    1 weight  0.10000E+01 volume  0.66829E-03 ppm1      3.169 ppm2      2.766 CV     1
 OR { 3875}
   (( segid "    " and resid 59   and name HD3 ))
   (( segid "    " and resid 80   and name HB3 ))
 OR { 3875}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 3876}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      4.800     2.900     1.200 peak  3876 spectrum    1 weight  0.10000E+01 volume  0.56867E-03 ppm1      2.429 ppm2      1.975 CV     1
 ASSI { 3877}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      4.400     2.400     1.600 peak  3877 spectrum    1 weight  0.10000E+01 volume  0.95055E-03 ppm1      4.329 ppm2      1.882 CV     1
 ASSI { 3880}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.200     3.200     2.800 peak  3880 spectrum    1 weight  0.10000E+01 volume  0.65210E-02 ppm1      4.001 ppm2      1.648 CV     1
 OR { 3880}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HD1%)
 ASSI { 3881}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 102  and name HG2 ))
      5.400     3.700     0.600 peak  3881 spectrum    1 weight  0.10000E+01 volume  0.27673E-03 ppm1      3.665 ppm2      1.759 CV     1
 ASSI { 3886}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 112  and name HB3 ))
      5.300     3.600     0.700 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.30301E-03 ppm1      2.910 ppm2      1.771 CV     1
 OR { 3886}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 112  and name HB2 ))
 OR { 3886}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 112  and name HB3 ))
 ASSI { 3891}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  3891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.903 ppm2      1.311 CV     1
 ASSI { 3892}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 105  and name HB  ))
      4.800     2.800     1.200 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.60326E-03 ppm1      3.368 ppm2      1.407 CV     1
 ASSI { 3895}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 20   and name HD2%)
      3.800     1.800     1.800 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.24878E-02 ppm1      1.200 ppm2      0.767 CV     1
 OR { 3895}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 20   and name HD2%)
 OR { 3895}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 42   and name HD1%)
 OR { 3895}
   (  segid "    " and resid 16   and name HB% )
   (  segid "    " and resid 20   and name HD2%)
 ASSI { 3896}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 45   and name HG13))
      4.700     2.800     1.300 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.63647E-03 ppm1      2.024 ppm2      1.210 CV     1
 OR { 3896}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI { 3900}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 51   and name HG2%)
      3.500     1.600     1.600 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.36196E-02 ppm1      2.283 ppm2      1.095 CV     1
 OR { 3900}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI { 3901}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 20   and name HD1%)
      4.700     2.800     1.300 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.61848E-03 ppm1      2.580 ppm2      0.985 CV     1
 OR { 3901}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 3902}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.900     1.900     1.900 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.18790E-02 ppm1      2.700 ppm2      1.188 CV     1
 OR { 3902}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 6    and name HD2 ))
 OR { 3902}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
 OR { 3902}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 3903}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 57   and name HD2%)
      4.700     2.800     1.300 peak  3903 spectrum    1 weight  0.10000E+01 volume  0.64062E-03 ppm1      2.657 ppm2      1.173 CV     1
 OR { 3903}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 57   and name HD1%)
 ASSI { 3907}
   (( segid "    " and resid 59   and name HD3 ))
   (  segid "    " and resid 63   and name HD1%)
      3.400     1.500     1.500 peak  3907 spectrum    1 weight  0.10000E+01 volume  0.42934E-02 ppm1      3.189 ppm2      0.823 CV     1
 OR { 3907}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 3908}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 18   and name HG3 ))
      3.200     1.300     1.300 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.60506E-02 ppm1      3.190 ppm2      0.769 CV     1
 ASSI { 3909}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 45   and name HD1%)
      3.700     1.700     1.700 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.26344E-02 ppm1      2.821 ppm2      0.860 CV     1
 OR { 3909}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 3910}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HG  ))
      5.200     3.400     0.800 peak  3910 spectrum    1 weight  0.10000E+01 volume  0.35836E-03 ppm1      2.902 ppm2      0.864 CV     1
 OR { 3910}
   (( segid "    " and resid 107  and name HD2 ))
   (( segid "    " and resid 21   and name HG  ))
 OR { 3910}
   (( segid "    " and resid 107  and name HD3 ))
   (( segid "    " and resid 21   and name HG  ))
 ASSI { 3911}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.500     1.500     1.500 peak  3911 spectrum    1 weight  0.10000E+01 volume  0.40983E-02 ppm1      4.002 ppm2      0.947 CV     1
 OR { 3911}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 21   and name HD2%)
 ASSI { 3912}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     3.800     2.200 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.22235E-02 ppm1      4.001 ppm2      0.864 CV     1
 OR { 3912}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 21   and name HG  ))
 ASSI { 3914}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.700     1.300 peak  3914 spectrum    1 weight  0.10000E+01 volume  0.66691E-03 ppm1      3.798 ppm2      0.858 CV     1
 ASSI { 3915}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 23   and name HB% )
      2.900     1.100     1.100 peak  3915 spectrum    1 weight  0.10000E+01 volume  0.11048E-01 ppm1      4.354 ppm2      1.025 CV     1
 ASSI { 3916}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
      4.600     2.600     1.400 peak  3916 spectrum    1 weight  0.10000E+01 volume  0.75823E-03 ppm1      5.601 ppm2      0.409 CV     1
 OR { 3916}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
 OR { 3916}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 3919}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      5.100     3.200     0.900 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.41094E-03 ppm1      4.235 ppm2      0.766 CV     1
 OR { 3919}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 20   and name HD2%)
 OR { 3919}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
 OR { 3919}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 20   and name HD2%)
 ASSI { 3920}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
      3.500     1.500     1.500 peak  3920 spectrum    1 weight  0.10000E+01 volume  0.37427E-02 ppm1      4.244 ppm2      0.414 CV     1
 OR { 3920}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
 ASSI { 3921}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      5.100     3.200     0.900 peak  3921 spectrum    1 weight  0.10000E+01 volume  0.40955E-03 ppm1      4.155 ppm2      0.414 CV     1
 OR { 3921}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
 OR { 3921}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 105  and name HG13))
 ASSI { 3922}
   (( segid "    " and resid 46   and name HA1 ))
   (  segid "    " and resid 105  and name HD1%)
      5.100     3.200     0.900 peak  3922 spectrum    1 weight  0.10000E+01 volume  0.40540E-03 ppm1      4.289 ppm2      0.317 CV     1
 OR { 3922}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 105  and name HD1%)
 ASSI { 3923}
   (( segid "    " and resid 43   and name HA2 ))
   (  segid "    " and resid 105  and name HD1%)
      3.500     1.500     1.500 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.38036E-02 ppm1      3.608 ppm2      0.317 CV     1
 ASSI { 3924}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
      3.200     1.300     1.300 peak  3924 spectrum    1 weight  0.10000E+01 volume  0.67175E-02 ppm1      3.492 ppm2      0.766 CV     1
 OR { 3924}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI { 3928}
   (  segid "    " and resid 56   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
      4.400     2.400     1.600 peak  3928 spectrum    1 weight  0.10000E+01 volume  0.96301E-03 ppm1      0.786 ppm2     -0.815 CV     1
 ASSI { 3929}
   (  segid "    " and resid 104  and name HD2%)
   (  segid "    " and resid 33   and name HD2%)
      6.000     4.500     0.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.835 ppm2     -0.815 CV     1
 ASSI { 3930}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 34   and name HD2 ))
      6.000     4.500     0.000 peak  3930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      1.698 CV     1
 OR { 3930}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HD3 ))
 OR { 3930}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 34   and name HD3 ))
 OR { 3930}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 3931}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HB3 ))
      6.000     4.500     0.000 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.077 ppm2      1.266 CV     1
 OR { 3931}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI { 3932}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HG2 ))
      6.000     4.500     0.000 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.071 ppm2      1.110 CV     1
 OR { 3932}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 3933}
   (( segid "    " and resid 34   and name HE2 ))
   (( segid "    " and resid 34   and name HG3 ))
      6.000     4.500     0.000 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.071 ppm2      1.070 CV     1
 OR { 3933}
   (( segid "    " and resid 34   and name HE3 ))
   (( segid "    " and resid 34   and name HG3 ))
 ASSI { 3934}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.390 ppm2      7.834 CV     1
 ASSI { 3935}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  3935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.066 ppm2      7.835 CV     1
 OR { 3935}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 3936}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HG3 ))
      6.000     4.500     0.000 peak  3936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      1.388 CV     1
 ASSI { 3937}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG3 ))
      6.000     4.500     0.000 peak  3937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.946 ppm2      1.388 CV     1
 ASSI { 3938}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HG3 ))
      6.000     4.500     0.000 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.572 ppm2      1.388 CV     1
 ASSI { 3939}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG3 ))
      6.000     4.500     0.000 peak  3939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      1.395 CV     1
 ASSI { 3940}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.064 ppm2      1.950 CV     1
 OR { 3940}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3941}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HG2 ))
      6.000     4.500     0.000 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.065 ppm2      1.576 CV     1
 OR { 3941}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 3942}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HG3 ))
      6.000     4.500     0.000 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.065 ppm2      1.388 CV     1
 OR { 3942}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HG3 ))
 ASSI { 3943}
   (( segid "    " and resid 64   and name HD3 ))
   (( segid "    " and resid 64   and name HB3 ))
      6.000     4.500     0.000 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.066 ppm2      1.875 CV     1
 OR { 3943}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI { 3944}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak  3944 spectrum    1 weight  0.10000E+01 volume  0.84540E-03 ppm1      0.936 ppm2      9.802 CV     1
 OR { 3944}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 3945}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.100     2.000 peak  3945 spectrum    1 weight  0.10000E+01 volume  0.15746E-02 ppm1      8.325 ppm2     10.176 CV     1
 ASSI { 3946}
   (( segid "    " and resid 6    and name HE2 ))
   (  segid "    " and resid 22   and name HD% )
      4.800     2.900     1.200 peak  3946 spectrum    1 weight  0.10000E+01 volume  0.56314E-03 ppm1      2.446 ppm2      7.223 CV     1
 OR { 3946}
   (( segid "    " and resid 6    and name HE3 ))
   (  segid "    " and resid 22   and name HD% )
 ASSI { 3947}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 22   and name HD% )
      3.500     3.500     2.500 peak  3947 spectrum    1 weight  0.10000E+01 volume  0.39516E-02 ppm1      0.403 ppm2      7.223 CV     1
 OR { 3947}
   (( segid "    " and resid 105  and name HG13))
   (  segid "    " and resid 22   and name HD% )
 ASSI { 3948}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      3.600     1.600     1.600 peak  3948 spectrum    1 weight  0.10000E+01 volume  0.32211E-02 ppm1      1.968 ppm2      6.521 CV     1
 OR { 3948}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
 ASSI { 3949}
   (  segid "    " and resid 55   and name HE% )
   (( segid "    " and resid 66   and name HZ  ))
      4.300     2.300     1.700 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      2.227 ppm2      7.095 CV     1
 ASSI { 3952}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      4.900     3.000     1.100 peak  3952 spectrum    1 weight  0.10000E+01 volume  0.52855E-03 ppm1      2.889 ppm2      9.064 CV     1
 ASSI { 3955}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 51   and name HN  ))
      5.800     4.200     0.200 peak  3955 spectrum    1 weight  0.10000E+01 volume  0.18679E-03 ppm1      6.170 ppm2      8.567 CV     1
 ASSI { 3959}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      4.700     2.800     1.300 peak  3959 spectrum    1 weight  0.10000E+01 volume  0.61710E-03 ppm1      4.558 ppm2      8.890 CV     1
 ASSI { 3960}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak  3960 spectrum    1 weight  0.10000E+01 volume  0.30661E-02 ppm1      0.227 ppm2      8.580 CV     1
 ASSI { 3961}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      3.300     1.400     1.400 peak  3961 spectrum    1 weight  0.10000E+01 volume  0.54169E-02 ppm1      0.404 ppm2      8.745 CV     1
 ASSI { 3962}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  3962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.193 ppm2      8.368 CV     1
 ASSI { 3963}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      5.600     4.000     0.400 peak  3963 spectrum    1 weight  0.10000E+01 volume  0.22000E-03 ppm1      2.163 ppm2      7.562 CV     1
 OR { 3963}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 3964}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 28   and name HE3 ))
      3.200     1.200     1.200 peak  3964 spectrum    1 weight  0.10000E+01 volume  0.70911E-02 ppm1      0.501 ppm2      7.156 CV     1
 OR { 3964}
   (( segid "    " and resid 52   and name HG3 ))
   (  segid "    " and resid 66   and name HE% )
 ASSI { 3965}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HZ  ))
      6.000     4.500     0.000 peak  3965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.146 ppm2      7.249 CV     1
 ASSI { 3968}
   (  segid "    " and resid 66   and name HD% )
   (( segid "    " and resid 66   and name HZ  ))
      6.000     4.500     0.000 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.001 ppm2      7.095 CV     1
 ASSI { 3971}
   (  segid "    " and resid 108  and name HD1%)
   (  segid "    " and resid 22   and name HE% )
      3.400     1.400     1.400 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.45466E-02 ppm1      0.949 ppm2      6.710 CV     1
 OR { 3971}
   (  segid "    " and resid 108  and name HD2%)
   (  segid "    " and resid 22   and name HE% )
 ASSI { 3972}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 28   and name HD1 ))
      4.400     2.400     1.600 peak  3972 spectrum    1 weight  0.10000E+01 volume  0.99345E-03 ppm1      1.849 ppm2      6.954 CV     1
 ASSI { 3973}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      4.000     2.000     2.000 peak  3973 spectrum    1 weight  0.10000E+01 volume  0.17600E-02 ppm1      1.188 ppm2      0.005 CV     1
 ASSI { 3976}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 65   and name HD1%)
      2.800     1.000     1.000 peak  3976 spectrum    1 weight  0.10000E+01 volume  0.13919E-01 ppm1      1.162 ppm2      0.699 CV     1
 OR { 3976}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 65   and name HD1%)
 ASSI { 3977}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      3.400     1.400     1.400 peak  3977 spectrum    1 weight  0.10000E+01 volume  0.45950E-02 ppm1      4.639 ppm2      0.416 CV     1
 ASSI { 3978}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      4.500     2.600     1.500 peak  3978 spectrum    1 weight  0.10000E+01 volume  0.81081E-03 ppm1      4.639 ppm2      0.672 CV     1
 ASSI { 3981}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 42   and name HD2%)
      3.700     1.700     1.700 peak  3981 spectrum    1 weight  0.10000E+01 volume  0.26192E-02 ppm1      2.820 ppm2      0.415 CV     1
 ASSI { 3982}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 50   and name HD% )
      3.700     3.700     2.300 peak  3982 spectrum    1 weight  0.10000E+01 volume  0.28281E-02 ppm1      3.991 ppm2      6.453 CV     1
 ASSI { 3983}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      4.000     2.000     2.000 peak  3983 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      2.812 ppm2      6.171 CV     1
 OR { 3983}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 50   and name HE% )
 OR { 3983}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 3984}
   (  segid "    " and resid 57   and name HD2%)
   (  segid "    " and resid 66   and name HD% )
      3.000     1.100     1.100 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.93118E-02 ppm1      1.168 ppm2      7.007 CV     1
 ASSI { 3986}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      4.700     2.700     1.300 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.67106E-03 ppm1      4.354 ppm2      3.376 CV     1
 ASSI { 3987}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 23   and name HB% )
      3.100     1.200     1.200 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.74951E-02 ppm1      2.429 ppm2      1.028 CV     1
 OR { 3987}
   (( segid "    " and resid 24   and name HG3 ))
   (  segid "    " and resid 23   and name HB% )
 ASSI { 3988}
   (( segid "    " and resid 6    and name HE2 ))
   (  segid "    " and resid 20   and name HD1%)
      3.300     1.400     1.400 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.49811E-02 ppm1      2.429 ppm2      0.988 CV     1
 OR { 3988}
   (( segid "    " and resid 6    and name HE3 ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI { 3989}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      4.300     2.400     1.700 peak  3989 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      4.465 ppm2      6.377 CV     1
 ASSI { 3990}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 108  and name HN  ))
      3.600     1.700     1.700 peak  3990 spectrum    1 weight  0.10000E+01 volume  0.29610E-02 ppm1      0.858 ppm2      9.152 CV     1
 ASSI { 3991}
   (  segid "    " and resid 20   and name HD2%)
   (( segid "    " and resid 108  and name HN  ))
      4.900     3.000     1.100 peak  3991 spectrum    1 weight  0.10000E+01 volume  0.48565E-03 ppm1      0.757 ppm2      9.151 CV     1
 ASSI { 3992}
   (  segid "    " and resid 20   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      5.100     3.200     0.900 peak  3992 spectrum    1 weight  0.10000E+01 volume  0.39849E-03 ppm1      0.758 ppm2      9.133 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -14.805   4.097  -6.443
    2   2H    GLY   1          2H        GLY   1 -15.998   4.211  -5.250
    3   3H    GLY   1          3H        GLY   1 -14.360   4.342  -4.825
    4   1HA   GLY   1          2HA       GLY   1 -16.059   6.412  -5.338
    5   2HA   GLY   1          1HA       GLY   1 -14.307   6.501  -5.239
    6    H    SER   2           H        SER   2 -13.296   7.288  -6.935
    7    HA   SER   2           HA       SER   2 -14.602   7.976  -9.352
    8   1HB   SER   2          2HB       SER   2 -11.641   7.643  -9.301
    9   2HB   SER   2          1HB       SER   2 -12.612   8.976  -9.928
   10    HG   SER   2           HG       SER   2 -13.095   9.446  -7.647
   11    H    LEU   3           H        LEU   3 -12.820   5.200  -8.246
   12    HA   LEU   3           HA       LEU   3 -13.680   3.781 -10.657
   13   1HB   LEU   3          2HB       LEU   3 -11.473   2.358 -10.071
   14   2HB   LEU   3          1HB       LEU   3 -11.512   3.639 -11.267
   15    HG   LEU   3           HG       LEU   3 -10.950   4.781  -8.705
   16   1HD1  LEU   3          1HD1      LEU   3 -10.151   2.566  -8.082
   17   2HD1  LEU   3          2HD1      LEU   3  -9.130   2.523  -9.519
   18   3HD1  LEU   3          3HD1      LEU   3  -8.811   3.701  -8.247
   19   1HD2  LEU   3          1HD2      LEU   3  -8.715   5.171 -10.046
   20   2HD2  LEU   3          2HD2      LEU   3  -9.697   4.599 -11.396
   21   3HD2  LEU   3          3HD2      LEU   3 -10.203   6.018 -10.476
   22    H    SER   4           H        SER   4 -12.864   1.242  -9.899
   23    HA   SER   4           HA       SER   4 -14.751   0.649  -7.806
   24   1HB   SER   4          2HB       SER   4 -12.874  -1.407  -8.898
   25   2HB   SER   4          1HB       SER   4 -14.582  -1.555  -8.482
   26    HG   SER   4           HG       SER   4 -14.880  -0.034 -10.347
   27    H    TRP   5           H        TRP   5 -14.221  -0.553  -5.882
   28    HA   TRP   5           HA       TRP   5 -12.028   0.562  -4.497
   29   1HB   TRP   5          2HB       TRP   5 -14.247  -1.240  -3.883
   30   2HB   TRP   5          1HB       TRP   5 -12.779  -1.619  -2.985
   31    HD1  TRP   5           HD       TRP   5 -13.123   2.010  -3.773
   32    HE1  TRP   5           1HE      TRP   5 -13.810   3.315  -1.664
   33    HE3  TRP   5           3HE      TRP   5 -14.291  -1.936  -0.748
   34    HZ2  TRP   5           2HZ      TRP   5 -14.726   2.731   0.941
   35    HZ3  TRP   5           3HZ      TRP   5 -15.062  -1.476   1.541
   36    HH2  TRP   5           HH       TRP   5 -15.273   0.804   2.365
   37    H    LYS   6           H        LYS   6 -10.131  -0.311  -3.805
   38    HA   LYS   6           HA       LYS   6  -9.255  -2.708  -5.253
   39   1HB   LYS   6          2HB       LYS   6  -7.058  -1.074  -4.379
   40   2HB   LYS   6          1HB       LYS   6  -7.500  -1.552  -6.011
   41   1HG   LYS   6          2HG       LYS   6  -9.323   0.381  -5.555
   42   2HG   LYS   6          1HG       LYS   6  -7.973   0.968  -4.583
   43   1HD   LYS   6          2HD       LYS   6  -6.843   0.127  -6.998
   44   2HD   LYS   6          1HD       LYS   6  -8.323   0.983  -7.440
   45   1HE   LYS   6          2HE       LYS   6  -7.624   2.917  -6.159
   46   2HE   LYS   6          1HE       LYS   6  -6.192   2.059  -5.596
   47   1HZ   LYS   6          1HZ       LYS   6  -6.504   3.582  -7.926
   48   2HZ   LYS   6          2HZ       LYS   6  -6.218   1.976  -8.396
   49   3HZ   LYS   6          3HZ       LYS   6  -5.117   2.774  -7.377
   50    H    ARG   7           H        ARG   7 -10.197  -1.778  -2.380
   51    HA   ARG   7           HA       ARG   7 -10.108  -2.592  -0.275
   52   1HB   ARG   7          2HB       ARG   7  -9.980  -4.852  -0.112
   53   2HB   ARG   7          1HB       ARG   7 -10.032  -4.725  -1.864
   54   1HG   ARG   7          2HG       ARG   7  -7.875  -5.386  -2.115
   55   2HG   ARG   7          1HG       ARG   7  -7.360  -4.671  -0.587
   56   1HD   ARG   7          2HD       ARG   7  -9.245  -6.838  -0.221
   57   2HD   ARG   7          1HD       ARG   7  -7.799  -7.338  -1.097
   58    HE   ARG   7           HE       ARG   7  -7.442  -5.822   1.379
   59   1HH1  ARG   7          2HH1      ARG   7  -7.408  -8.939  -0.242
   60   2HH1  ARG   7          1HH1      ARG   7  -6.347  -9.680   0.918
   61   1HH2  ARG   7          2HH2      ARG   7  -6.027  -6.782   2.885
   62   2HH2  ARG   7          1HH2      ARG   7  -5.526  -8.437   2.686
   63    H    CYS   8           H        CYS   8  -8.845  -2.935   1.622
   64    HA   CYS   8           HA       CYS   8  -6.207  -1.743   1.512
   65   1HB   CYS   8          2HB       CYS   8  -7.775  -1.281   3.423
   66   2HB   CYS   8          1HB       CYS   8  -7.590  -2.965   3.915
   67    H    ALA   9           H        ALA   9  -4.480  -2.881   1.076
   68    HA   ALA   9           HA       ALA   9  -4.503  -5.779   1.288
   69   1HB   ALA   9          1HB       ALA   9  -2.179  -4.032   0.513
   70   2HB   ALA   9          2HB       ALA   9  -2.426  -5.740   0.151
   71   3HB   ALA   9          3HB       ALA   9  -3.441  -4.520  -0.618
   72    H    GLY  10           H        GLY  10  -4.144  -3.357   3.424
   73   1HA   GLY  10          1HA       GLY  10  -1.863  -4.396   4.885
   74   2HA   GLY  10          2HA       GLY  10  -2.875  -3.035   5.348
   75    H    CYS  11           H        CYS  11  -5.389  -4.167   5.409
   76    HA   CYS  11           HA       CYS  11  -5.032  -6.182   7.517
   77   1HB   CYS  11          2HB       CYS  11  -7.110  -5.253   8.552
   78   2HB   CYS  11          1HB       CYS  11  -5.753  -4.138   8.528
   79    H    GLY  12           H        GLY  12  -8.244  -5.669   7.129
   80   1HA   GLY  12          1HA       GLY  12  -8.622  -8.306   6.124
   81   2HA   GLY  12          2HA       GLY  12  -9.886  -7.166   6.553
   82    H    GLY  13           H        GLY  13  -9.980  -5.241   4.891
   83   1HA   GLY  13          1HA       GLY  13  -9.262  -5.562   2.231
   84   2HA   GLY  13          2HA       GLY  13 -10.768  -6.441   2.438
   85    H    LYS  14           H        LYS  14 -12.602  -5.204   3.365
   86    HA   LYS  14           HA       LYS  14 -12.975  -2.835   1.865
   87   1HB   LYS  14          2HB       LYS  14 -14.566  -4.431   3.781
   88   2HB   LYS  14          1HB       LYS  14 -15.019  -2.738   3.640
   89   1HG   LYS  14          2HG       LYS  14 -16.367  -3.683   2.056
   90   2HG   LYS  14          1HG       LYS  14 -14.968  -3.242   1.075
   91   1HD   LYS  14          2HD       LYS  14 -14.113  -5.596   1.522
   92   2HD   LYS  14          1HD       LYS  14 -15.730  -5.951   2.132
   93   1HE   LYS  14          2HE       LYS  14 -15.259  -4.772  -0.589
   94   2HE   LYS  14          1HE       LYS  14 -15.265  -6.512  -0.304
   95   1HZ   LYS  14          1HZ       LYS  14 -17.428  -5.849  -1.004
   96   2HZ   LYS  14          2HZ       LYS  14 -17.505  -4.618   0.157
   97   3HZ   LYS  14          3HZ       LYS  14 -17.525  -6.242   0.643
   98    H    ILE  15           H        ILE  15 -12.544  -0.787   2.325
   99    HA   ILE  15           HA       ILE  15 -11.589  -0.132   5.014
  100    HB   ILE  15           HB       ILE  15 -11.329   1.532   2.506
  101   1HG1  ILE  15          2HG1      ILE  15  -9.538  -0.585   3.689
  102   1HG2  ILE  15          1HG2      ILE  15  -9.674   1.730   5.003
  103   2HG2  ILE  15          2HG2      ILE  15  -9.864   2.911   3.710
  104   3HG2  ILE  15          3HG2      ILE  15 -11.194   2.603   4.826
  105   1HD1  ILE  15          1HD1      ILE  15  -8.678   1.921   2.431
  106   2HD1  ILE  15          2HD1      ILE  15  -7.788   0.790   3.453
  107   3HD1  ILE  15          3HD1      ILE  15  -7.999   0.450   1.733
  108    H    ALA  16           H        ALA  16 -13.474   0.249   6.139
  109    HA   ALA  16           HA       ALA  16 -15.341   2.242   5.061
  110   1HB   ALA  16          1HB       ALA  16 -16.831   0.852   5.975
  111   2HB   ALA  16          2HB       ALA  16 -15.578  -0.024   6.852
  112   3HB   ALA  16          3HB       ALA  16 -16.284   1.435   7.547
  113    H    ASP  17           H        ASP  17 -12.613   2.792   6.023
  114    HA   ASP  17           HA       ASP  17 -13.116   4.369   8.439
  115   1HB   ASP  17          2HB       ASP  17 -10.731   3.083   7.244
  116   2HB   ASP  17          1HB       ASP  17 -10.459   4.631   8.042
  117    H    ARG  18           H        ARG  18 -11.858   6.469   8.512
  118    HA   ARG  18           HA       ARG  18 -12.497   8.017   6.126
  119   1HB   ARG  18          2HB       ARG  18 -13.062   8.760   8.494
  120   2HB   ARG  18          1HB       ARG  18 -11.340   9.013   8.731
  121   1HG   ARG  18          2HG       ARG  18 -11.567  10.501   6.581
  122   2HG   ARG  18          1HG       ARG  18 -13.269  10.539   7.055
  123   1HD   ARG  18          2HD       ARG  18 -12.813  12.092   8.568
  124   2HD   ARG  18          1HD       ARG  18 -11.704  10.986   9.379
  125    HE   ARG  18           HE       ARG  18 -10.153  11.898   7.425
  126   1HH1  ARG  18          2HH1      ARG  18 -12.306  13.636   9.583
  127   2HH1  ARG  18          1HH1      ARG  18 -11.374  15.106   9.527
  128   1HH2  ARG  18          2HH2      ARG  18  -8.934  13.797   7.347
  129   2HH2  ARG  18          1HH2      ARG  18  -9.441  15.198   8.252
  130    H    PHE  19           H        PHE  19  -9.797   6.771   7.917
  131    HA   PHE  19           HA       PHE  19  -7.891   8.345   6.378
  132   1HB   PHE  19          2HB       PHE  19  -7.668   6.542   8.776
  133   2HB   PHE  19          1HB       PHE  19  -6.235   7.040   7.883
  134    HD1  PHE  19           1HD      PHE  19  -5.637   7.971  10.206
  135    HD2  PHE  19           2HD      PHE  19  -8.785   9.497   7.785
  136    HE1  PHE  19           1HE      PHE  19  -5.580  10.088  11.462
  137    HE2  PHE  19           2HE      PHE  19  -8.742  11.603   9.031
  138    HZ   PHE  19           HZ       PHE  19  -7.130  11.911  10.873
  139    H    LEU  20           H        LEU  20  -7.939   7.522   4.331
  140    HA   LEU  20           HA       LEU  20  -7.066   4.729   4.048
  141   1HB   LEU  20          2HB       LEU  20  -8.799   4.365   2.709
  142   2HB   LEU  20          1HB       LEU  20  -9.339   6.012   2.953
  143    HG   LEU  20           HG       LEU  20  -7.200   5.799   0.971
  144   1HD1  LEU  20          1HD1      LEU  20  -8.615   3.632   0.762
  145   2HD1  LEU  20          2HD1      LEU  20  -9.837   4.710   0.083
  146   3HD1  LEU  20          3HD1      LEU  20  -8.250   4.579  -0.682
  147   1HD2  LEU  20          1HD2      LEU  20  -8.153   7.715   0.409
  148   2HD2  LEU  20          2HD2      LEU  20  -9.625   6.857  -0.044
  149   3HD2  LEU  20          3HD2      LEU  20  -9.420   7.444   1.606
  150    H    LEU  21           H        LEU  21  -5.643   4.259   2.357
  151    HA   LEU  21           HA       LEU  21  -4.280   6.511   1.057
  152   1HB   LEU  21          2HB       LEU  21  -3.215   5.242   3.246
  153   2HB   LEU  21          1HB       LEU  21  -2.547   4.295   1.932
  154    HG   LEU  21           HG       LEU  21  -2.306   7.280   1.885
  155   1HD1  LEU  21          1HD1      LEU  21   0.061   6.099   2.924
  156   2HD1  LEU  21          2HD1      LEU  21  -0.956   7.358   3.628
  157   3HD1  LEU  21          3HD1      LEU  21  -1.299   5.659   3.960
  158   1HD2  LEU  21          1HD2      LEU  21  -1.411   5.104   0.287
  159   2HD2  LEU  21          2HD2      LEU  21  -1.134   6.830   0.058
  160   3HD2  LEU  21          3HD2      LEU  21  -0.003   5.877   1.016
  161    H    TYR  22           H        TYR  22  -3.278   5.890  -0.936
  162    HA   TYR  22           HA       TYR  22  -4.166   3.263  -1.959
  163   1HB   TYR  22          2HB       TYR  22  -3.297   5.609  -3.645
  164   2HB   TYR  22          1HB       TYR  22  -4.032   4.122  -4.197
  165    HD1  TYR  22           1HD      TYR  22  -5.205   6.427  -1.468
  166    HD2  TYR  22           2HD      TYR  22  -5.890   4.791  -5.339
  167    HE1  TYR  22           1HE      TYR  22  -7.383   7.562  -1.560
  168    HE2  TYR  22           2HE      TYR  22  -8.076   5.918  -5.431
  169    HH   TYR  22           HH       TYR  22  -9.373   7.511  -4.472
  170    H    ALA  23           H        ALA  23  -2.599   1.833  -2.423
  171    HA   ALA  23           HA       ALA  23  -0.089   2.761  -3.421
  172   1HB   ALA  23          1HB       ALA  23   1.343   1.650  -1.777
  173   2HB   ALA  23          2HB       ALA  23   0.380   2.933  -1.039
  174   3HB   ALA  23          3HB       ALA  23  -0.081   1.244  -0.816
  175    H    MET  24           H        MET  24   0.904   1.279  -4.694
  176    HA   MET  24           HA       MET  24   1.221  -0.581  -5.952
  177   1HB   MET  24          2HB       MET  24   0.266  -1.719  -3.375
  178   2HB   MET  24          1HB       MET  24   0.247  -2.783  -4.773
  179   1HG   MET  24          2HG       MET  24   2.598  -2.531  -5.086
  180   2HG   MET  24          1HG       MET  24   2.676  -1.262  -3.863
  181   1HE   MET  24          1HE       MET  24   1.899  -5.685  -3.351
  182   2HE   MET  24          2HE       MET  24   2.003  -4.717  -4.824
  183   3HE   MET  24          3HE       MET  24   3.476  -5.268  -4.025
  184    H    ASP  25           H        ASP  25  -1.323   1.000  -6.026
  185    HA   ASP  25           HA       ASP  25  -3.220   1.033  -7.276
  186   1HB   ASP  25          2HB       ASP  25  -1.890  -1.346  -8.352
  187   2HB   ASP  25          1HB       ASP  25  -3.645  -1.418  -8.455
  188    H    SER  26           H        SER  26  -2.748  -0.394  -4.594
  189    HA   SER  26           HA       SER  26  -5.494  -1.431  -4.353
  190   1HB   SER  26          2HB       SER  26  -3.638  -2.184  -2.205
  191   2HB   SER  26          1HB       SER  26  -4.775  -3.190  -3.108
  192    HG   SER  26           HG       SER  26  -2.859  -2.531  -4.788
  193    H    TYR  27           H        TYR  27  -5.911  -1.253  -1.739
  194    HA   TYR  27           HA       TYR  27  -5.260   1.544  -1.096
  195   1HB   TYR  27          2HB       TYR  27  -7.689  -0.100  -0.385
  196   2HB   TYR  27          1HB       TYR  27  -7.301   1.428   0.393
  197    HD1  TYR  27           1HD      TYR  27  -9.839   0.841  -1.021
  198    HD2  TYR  27           2HD      TYR  27  -6.180   2.521  -2.466
  199    HE1  TYR  27           1HE      TYR  27 -11.086   2.027  -2.773
  200    HE2  TYR  27           2HE      TYR  27  -7.441   3.702  -4.206
  201    HH   TYR  27           HH       TYR  27 -10.960   3.687  -4.334
  202    H    TRP  28           H        TRP  28  -5.039   1.970   1.195
  203    HA   TRP  28           HA       TRP  28  -4.367  -0.296   2.897
  204   1HB   TRP  28          2HB       TRP  28  -2.404   1.916   2.212
  205   2HB   TRP  28          1HB       TRP  28  -2.177   0.745   3.503
  206    HD1  TRP  28           HD       TRP  28  -2.344   0.909  -0.349
  207    HE1  TRP  28           1HE      TRP  28  -1.000  -1.065  -1.303
  208    HE3  TRP  28           3HE      TRP  28  -1.232  -1.494   4.022
  209    HZ2  TRP  28           2HZ      TRP  28   0.367  -3.332  -0.324
  210    HZ3  TRP  28           3HZ      TRP  28   0.104  -3.557   3.927
  211    HH2  TRP  28           HH       TRP  28   0.887  -4.456   1.796
  212    H    HIS  29           H        HIS  29  -3.833   0.543   5.120
  213    HA   HIS  29           HA       HIS  29  -5.337   3.005   5.702
  214   1HB   HIS  29          2HB       HIS  29  -4.703   0.571   7.350
  215   2HB   HIS  29          1HB       HIS  29  -4.971   2.115   8.148
  216    HD2  HIS  29           2HD      HIS  29  -7.604   3.218   7.651
  217    HE1  HIS  29           1HE      HIS  29  -9.201  -0.629   6.880
  218    HE2  HIS  29           2HE      HIS  29  -9.729   1.726   7.678
  219    H    SER  30           H        SER  30  -4.247   4.345   7.476
  220    HA   SER  30           HA       SER  30  -1.771   5.183   6.587
  221   1HB   SER  30          2HB       SER  30  -2.236   5.718   9.432
  222   2HB   SER  30          1HB       SER  30  -2.050   6.838   8.081
  223    HG   SER  30           HG       SER  30  -4.146   6.938   7.847
  224    H    ARG  31           H        ARG  31  -2.516   3.027   9.307
  225    HA   ARG  31           HA       ARG  31   0.354   2.543   9.672
  226   1HB   ARG  31          2HB       ARG  31  -2.042   2.302  11.404
  227   2HB   ARG  31          1HB       ARG  31  -0.748   1.139  11.673
  228   1HG   ARG  31          2HG       ARG  31   0.820   3.121  11.812
  229   2HG   ARG  31          1HG       ARG  31  -0.627   4.130  11.881
  230   1HD   ARG  31          2HD       ARG  31  -0.068   3.785  14.118
  231   2HD   ARG  31          1HD       ARG  31  -1.358   2.622  13.815
  232    HE   ARG  31           HE       ARG  31   1.116   1.379  13.328
  233   1HH1  ARG  31          2HH1      ARG  31  -0.723   2.694  16.017
  234   2HH1  ARG  31          1HH1      ARG  31  -0.084   1.555  17.165
  235   1HH2  ARG  31          2HH2      ARG  31   1.963  -0.103  14.852
  236   2HH2  ARG  31          1HH2      ARG  31   1.433  -0.024  16.513
  237    H    CYS  32           H        CYS  32  -2.090   1.273   7.885
  238    HA   CYS  32           HA       CYS  32  -1.439  -1.535   8.229
  239   1HB   CYS  32          2HB       CYS  32  -3.277   0.010   6.438
  240   2HB   CYS  32          1HB       CYS  32  -2.803  -1.620   5.977
  241    H    LEU  33           H        LEU  33  -0.891   1.065   5.903
  242    HA   LEU  33           HA       LEU  33   0.658  -0.370   4.037
  243   1HB   LEU  33          2HB       LEU  33  -0.323   1.853   3.609
  244   2HB   LEU  33          1HB       LEU  33   0.771   2.560   4.778
  245    HG   LEU  33           HG       LEU  33   2.668   2.146   3.374
  246   1HD1  LEU  33          1HD1      LEU  33   0.980   0.969   1.216
  247   2HD1  LEU  33          2HD1      LEU  33   2.717   0.831   1.489
  248   3HD1  LEU  33          3HD1      LEU  33   1.589  -0.065   2.508
  249   1HD2  LEU  33          1HD2      LEU  33   0.981   3.058   1.200
  250   2HD2  LEU  33          2HD2      LEU  33   0.601   3.856   2.725
  251   3HD2  LEU  33          3HD2      LEU  33   2.243   3.911   2.087
  252    H    LYS  34           H        LYS  34   1.896   2.103   6.233
  253    HA   LYS  34           HA       LYS  34   3.794   2.306   7.460
  254   1HB   LYS  34          2HB       LYS  34   3.699   0.883   9.177
  255   2HB   LYS  34          1HB       LYS  34   2.346   0.163   8.324
  256   1HG   LYS  34          2HG       LYS  34   4.653  -1.048   7.278
  257   2HG   LYS  34          1HG       LYS  34   4.871  -0.986   9.027
  258   1HD   LYS  34          2HD       LYS  34   3.210  -2.460   9.416
  259   2HD   LYS  34          1HD       LYS  34   2.197  -1.819   8.120
  260   1HE   LYS  34          2HE       LYS  34   4.631  -3.165   7.198
  261   2HE   LYS  34          1HE       LYS  34   3.503  -4.215   8.060
  262   1HZ   LYS  34          1HZ       LYS  34   1.836  -3.827   6.512
  263   2HZ   LYS  34          2HZ       LYS  34   3.223  -3.955   5.546
  264   3HZ   LYS  34          3HZ       LYS  34   2.573  -2.430   5.901
  265    H    CYS  35           H        CYS  35   5.911   1.586   7.961
  266    HA   CYS  35           HA       CYS  35   7.453   1.500   5.604
  267   1HB   CYS  35          2HB       CYS  35   7.821   1.709   8.531
  268   2HB   CYS  35          1HB       CYS  35   9.206   1.228   7.596
  269    H    SER  36           H        SER  36   9.647   0.095   6.045
  270    HA   SER  36           HA       SER  36   8.775  -2.698   6.296
  271   1HB   SER  36          2HB       SER  36  11.100  -1.398   4.909
  272   2HB   SER  36          1HB       SER  36  11.171  -3.100   5.367
  273    HG   SER  36           HG       SER  36   9.134  -1.908   3.772
  274    H    SER  37           H        SER  37  11.504  -0.569   7.189
  275    HA   SER  37           HA       SER  37  12.032  -2.336   9.454
  276   1HB   SER  37          2HB       SER  37  13.788  -0.043   8.627
  277   2HB   SER  37          1HB       SER  37  14.242  -1.557   9.420
  278    HG   SER  37           HG       SER  37  13.607  -1.054   6.718
  279    H    CYS  38           H        CYS  38  11.696   1.168   8.803
  280    HA   CYS  38           HA       CYS  38  11.914   1.934  11.490
  281   1HB   CYS  38          2HB       CYS  38  10.292   3.671   9.746
  282   2HB   CYS  38          1HB       CYS  38  11.728   4.048  10.695
  283    H    GLN  39           H        GLN  39   9.119   1.108   9.553
  284    HA   GLN  39           HA       GLN  39   6.926   0.770  10.022
  285   1HB   GLN  39          2HB       GLN  39   8.195   0.285  12.664
  286   2HB   GLN  39          1HB       GLN  39   6.454   0.554  12.645
  287   1HG   GLN  39          2HG       GLN  39   7.460  -1.353  10.651
  288   2HG   GLN  39          1HG       GLN  39   7.637  -1.845  12.334
  289   1HE2  GLN  39          1HE2      GLN  39   6.116  -3.476  11.189
  290   2HE2  GLN  39          2HE2      GLN  39   4.421  -3.181  11.427
  291    H    ALA  40           H        ALA  40   7.666   3.339   9.540
  292    HA   ALA  40           HA       ALA  40   6.363   4.967  11.581
  293   1HB   ALA  40          1HB       ALA  40   7.488   6.808  10.708
  294   2HB   ALA  40          2HB       ALA  40   8.664   5.501  10.583
  295   3HB   ALA  40          3HB       ALA  40   7.771   6.022   9.155
  296    H    GLN  41           H        GLN  41   5.657   7.069   9.851
  297    HA   GLN  41           HA       GLN  41   3.296   5.892   8.555
  298   1HB   GLN  41          2HB       GLN  41   3.338   7.855  10.393
  299   2HB   GLN  41          1HB       GLN  41   3.493   8.826   8.936
  300   1HG   GLN  41          2HG       GLN  41   1.224   8.776   9.207
  301   2HG   GLN  41          1HG       GLN  41   1.474   7.417   8.106
  302   1HE2  GLN  41          1HE2      GLN  41  -0.327   8.292  10.566
  303   2HE2  GLN  41          2HE2      GLN  41  -0.510   6.789  11.416
  304    H    LEU  42           H        LEU  42   3.931   5.397   6.538
  305    HA   LEU  42           HA       LEU  42   5.806   6.662   4.967
  306   1HB   LEU  42          2HB       LEU  42   3.962   4.565   4.674
  307   2HB   LEU  42          1HB       LEU  42   3.663   5.649   3.329
  308    HG   LEU  42           HG       LEU  42   6.146   5.525   2.832
  309   1HD1  LEU  42          1HD1      LEU  42   7.522   4.030   3.881
  310   2HD1  LEU  42          2HD1      LEU  42   6.481   4.490   5.230
  311   3HD1  LEU  42          3HD1      LEU  42   6.191   2.979   4.367
  312   1HD2  LEU  42          1HD2      LEU  42   4.082   4.025   1.954
  313   2HD2  LEU  42          2HD2      LEU  42   5.729   3.898   1.338
  314   3HD2  LEU  42          3HD2      LEU  42   5.159   2.770   2.568
  315    H    GLY  43           H        GLY  43   2.387   7.421   5.333
  316   1HA   GLY  43          1HA       GLY  43   2.423   9.348   3.180
  317   2HA   GLY  43          2HA       GLY  43   1.083   9.018   4.263
  318    H    ASP  44           H        ASP  44   3.724   9.544   6.197
  319    HA   ASP  44           HA       ASP  44   2.951  12.371   6.509
  320   1HB   ASP  44          2HB       ASP  44   2.590  10.808   8.454
  321   2HB   ASP  44          1HB       ASP  44   4.340  10.649   8.563
  322    H    ILE  45           H        ILE  45   5.555  10.307   5.682
  323    HA   ILE  45           HA       ILE  45   7.620  12.261   6.258
  324    HB   ILE  45           HB       ILE  45   9.190  10.684   5.399
  325   1HG1  ILE  45          2HG1      ILE  45   7.293   8.580   4.621
  326   1HG2  ILE  45          1HG2      ILE  45   9.023   9.233   7.105
  327   2HG2  ILE  45          2HG2      ILE  45   7.614  10.198   7.543
  328   3HG2  ILE  45          3HG2      ILE  45   7.410   8.703   6.632
  329   1HD1  ILE  45          1HD1      ILE  45   9.017   7.880   3.426
  330   2HD1  ILE  45          2HD1      ILE  45   9.113   9.420   2.569
  331   3HD1  ILE  45          3HD1      ILE  45   9.957   9.210   4.104
  332    H    GLY  46           H        GLY  46   5.314  12.026   3.979
  333   1HA   GLY  46          1HA       GLY  46   5.434  13.825   2.224
  334   2HA   GLY  46          2HA       GLY  46   7.007  13.131   1.834
  335    H    THR  47           H        THR  47   5.454  13.131  -0.291
  336    HA   THR  47           HA       THR  47   3.927  10.634  -0.298
  337    HB   THR  47           HB       THR  47   3.996  11.820  -2.882
  338    HG1  THR  47           1HG      THR  47   3.384  13.687  -0.798
  339   1HG2  THR  47          1HG2      THR  47   1.785  12.034  -0.843
  340   2HG2  THR  47          2HG2      THR  47   2.146  10.546  -1.718
  341   3HG2  THR  47          3HG2      THR  47   1.641  11.988  -2.599
  342    H    SER  48           H        SER  48   5.390   8.999  -0.339
  343    HA   SER  48           HA       SER  48   6.623   8.422  -2.838
  344   1HB   SER  48          2HB       SER  48   8.305   9.382  -0.574
  345   2HB   SER  48          1HB       SER  48   8.899   7.977  -1.456
  346    HG   SER  48           HG       SER  48   8.283   9.482  -3.375
  347    H    SER  49           H        SER  49   7.165   6.219  -3.023
  348    HA   SER  49           HA       SER  49   7.057   4.493  -0.727
  349   1HB   SER  49          2HB       SER  49   5.173   3.200  -2.251
  350   2HB   SER  49          1HB       SER  49   4.815   4.185  -0.831
  351    HG   SER  49           HG       SER  49   4.087   5.747  -2.074
  352    H    TYR  50           H        TYR  50   8.344   2.787  -1.078
  353    HA   TYR  50           HA       TYR  50   9.059   2.206  -3.876
  354   1HB   TYR  50          2HB       TYR  50  10.693   2.178  -1.355
  355   2HB   TYR  50          1HB       TYR  50  11.189   1.255  -2.771
  356    HD1  TYR  50           1HD      TYR  50  11.257   2.625  -5.022
  357    HD2  TYR  50           2HD      TYR  50  11.432   4.356  -1.141
  358    HE1  TYR  50           1HE      TYR  50  12.323   4.632  -5.972
  359    HE2  TYR  50           2HE      TYR  50  12.494   6.365  -2.075
  360    HH   TYR  50           HH       TYR  50  12.817   6.856  -5.527
  361    H    THR  51           H        THR  51   8.647   0.268  -4.622
  362    HA   THR  51           HA       THR  51   7.881  -1.844  -2.715
  363    HB   THR  51           HB       THR  51   6.928  -1.750  -5.559
  364    HG1  THR  51           1HG      THR  51   6.417   0.123  -3.791
  365   1HG2  THR  51          1HG2      THR  51   6.520  -3.439  -3.290
  366   2HG2  THR  51          2HG2      THR  51   5.878  -3.611  -4.923
  367   3HG2  THR  51          3HG2      THR  51   4.987  -2.680  -3.720
  368    H    LYS  52           H        LYS  52   9.480  -3.256  -2.593
  369    HA   LYS  52           HA       LYS  52  10.401  -4.572  -4.995
  370   1HB   LYS  52          2HB       LYS  52  12.041  -2.613  -3.631
  371   2HB   LYS  52          1HB       LYS  52  12.789  -4.203  -3.562
  372   1HG   LYS  52          2HG       LYS  52  13.371  -4.130  -5.704
  373   2HG   LYS  52          1HG       LYS  52  11.764  -3.593  -6.203
  374   1HD   LYS  52          2HD       LYS  52  12.327  -1.299  -5.619
  375   2HD   LYS  52          1HD       LYS  52  13.914  -1.821  -5.048
  376   1HE   LYS  52          2HE       LYS  52  14.724  -2.145  -7.157
  377   2HE   LYS  52          1HE       LYS  52  13.137  -2.517  -7.828
  378   1HZ   LYS  52          1HZ       LYS  52  12.572  -0.146  -7.632
  379   2HZ   LYS  52          2HZ       LYS  52  13.904  -0.404  -8.652
  380   3HZ   LYS  52          3HZ       LYS  52  14.145   0.178  -7.077
  381    H    SER  53           H        SER  53  11.075  -6.668  -4.591
  382    HA   SER  53           HA       SER  53  11.178  -8.663  -3.490
  383   1HB   SER  53          2HB       SER  53  11.495  -7.101  -0.915
  384   2HB   SER  53          1HB       SER  53  11.996  -8.766  -1.237
  385    HG   SER  53           HG       SER  53  13.384  -7.742  -2.936
  386    H    GLY  54           H        GLY  54   8.695  -6.894  -3.692
  387   1HA   GLY  54          1HA       GLY  54   6.457  -7.205  -3.199
  388   2HA   GLY  54          2HA       GLY  54   6.902  -8.628  -2.263
  389    H    MET  55           H        MET  55   8.663  -5.854  -1.459
  390    HA   MET  55           HA       MET  55   7.122  -5.584   1.025
  391   1HB   MET  55          2HB       MET  55   9.993  -5.098   0.293
  392   2HB   MET  55          1HB       MET  55   9.293  -4.297   1.693
  393   1HG   MET  55          2HG       MET  55   8.644  -6.573   2.535
  394   2HG   MET  55          1HG       MET  55   9.627  -7.244   1.232
  395   1HE   MET  55          1HE       MET  55  12.039  -5.027   1.149
  396   2HE   MET  55          2HE       MET  55  13.199  -5.950   2.103
  397   3HE   MET  55          3HE       MET  55  12.173  -6.769   0.927
  398    H    ILE  56           H        ILE  56   7.134  -3.402   1.985
  399    HA   ILE  56           HA       ILE  56   6.940  -1.278  -0.053
  400    HB   ILE  56           HB       ILE  56   5.202  -1.637   2.396
  401   1HG1  ILE  56          2HG1      ILE  56   3.618  -1.237   0.140
  402   1HG2  ILE  56          1HG2      ILE  56   4.816   0.573   0.430
  403   2HG2  ILE  56          2HG2      ILE  56   4.319   0.471   2.120
  404   3HG2  ILE  56          3HG2      ILE  56   6.014   0.753   1.712
  405   1HD1  ILE  56          1HD1      ILE  56   3.391  -2.891   2.091
  406   2HD1  ILE  56          2HD1      ILE  56   2.772  -3.356   0.507
  407   3HD1  ILE  56          3HD1      ILE  56   4.319  -3.987   1.069
  408    H    LEU  57           H        LEU  57   8.492   0.148   0.232
  409    HA   LEU  57           HA       LEU  57   9.498   0.603   2.964
  410   1HB   LEU  57          2HB       LEU  57  11.100   0.694   0.412
  411   2HB   LEU  57          1HB       LEU  57  11.716   0.838   2.046
  412    HG   LEU  57           HG       LEU  57  10.387  -1.633   1.967
  413   1HD1  LEU  57          1HD1      LEU  57  11.766  -0.980  -0.587
  414   2HD1  LEU  57          2HD1      LEU  57  11.920  -2.608   0.076
  415   3HD1  LEU  57          3HD1      LEU  57  10.324  -1.954  -0.297
  416   1HD2  LEU  57          1HD2      LEU  57  12.707  -2.508   2.180
  417   2HD2  LEU  57          2HD2      LEU  57  13.299  -0.880   1.856
  418   3HD2  LEU  57          3HD2      LEU  57  12.325  -1.192   3.295
  419    H    CYS  58           H        CYS  58  10.244   2.642   3.480
  420    HA   CYS  58           HA       CYS  58   9.155   4.867   1.988
  421   1HB   CYS  58          2HB       CYS  58   9.949   6.237   3.817
  422   2HB   CYS  58          1HB       CYS  58   9.151   4.823   4.493
  423    H    ARG  59           H        ARG  59  11.045   6.788   2.142
  424    HA   ARG  59           HA       ARG  59  12.879   6.072   0.084
  425   1HB   ARG  59          2HB       ARG  59  11.876   8.384   0.582
  426   2HB   ARG  59          1HB       ARG  59  13.121   8.517   1.818
  427   1HG   ARG  59          2HG       ARG  59  14.375   9.388   0.200
  428   2HG   ARG  59          1HG       ARG  59  14.562   7.726  -0.359
  429   1HD   ARG  59          2HD       ARG  59  13.293   8.071  -2.177
  430   2HD   ARG  59          1HD       ARG  59  12.113   9.035  -1.288
  431    HE   ARG  59           HE       ARG  59  13.329  10.961  -1.758
  432   1HH1  ARG  59          2HH1      ARG  59  14.820   8.103  -3.137
  433   2HH1  ARG  59          1HH1      ARG  59  16.029   8.983  -4.015
  434   1HH2  ARG  59          2HH2      ARG  59  14.895  12.139  -2.947
  435   2HH2  ARG  59          1HH2      ARG  59  16.074  11.299  -3.909
  436    H    ASN  60           H        ASN  60  13.211   6.694   3.563
  437    HA   ASN  60           HA       ASN  60  16.025   6.303   3.667
  438   1HB   ASN  60          2HB       ASN  60  15.076   7.473   5.488
  439   2HB   ASN  60          1HB       ASN  60  13.838   6.248   5.743
  440   1HD2  ASN  60          1HD2      ASN  60  14.157   4.933   7.379
  441   2HD2  ASN  60          2HD2      ASN  60  15.680   4.554   8.102
  442    H    ASP  61           H        ASP  61  13.257   4.173   4.237
  443    HA   ASP  61           HA       ASP  61  14.599   1.848   5.052
  444   1HB   ASP  61          2HB       ASP  61  11.989   2.511   3.861
  445   2HB   ASP  61          1HB       ASP  61  12.542   0.876   3.544
  446    H    TYR  62           H        TYR  62  13.776   3.074   1.858
  447    HA   TYR  62           HA       TYR  62  14.630   0.912   0.319
  448   1HB   TYR  62          2HB       TYR  62  13.280   2.930  -0.414
  449   2HB   TYR  62          1HB       TYR  62  14.805   3.804  -0.516
  450    HD1  TYR  62           1HD      TYR  62  13.453   0.506  -1.639
  451    HD2  TYR  62           2HD      TYR  62  15.691   3.985  -2.622
  452    HE1  TYR  62           1HE      TYR  62  13.767  -0.349  -3.917
  453    HE2  TYR  62           2HE      TYR  62  16.013   3.137  -4.910
  454    HH   TYR  62           HH       TYR  62  16.001   0.561  -5.933
  455    H    ILE  63           H        ILE  63  16.391   3.847   1.272
  456    HA   ILE  63           HA       ILE  63  18.788   3.252  -0.067
  457    HB   ILE  63           HB       ILE  63  18.449   4.879   2.456
  458   1HG1  ILE  63          2HG1      ILE  63  16.969   5.673   0.672
  459   1HG2  ILE  63          1HG2      ILE  63  20.506   5.925   1.959
  460   2HG2  ILE  63          2HG2      ILE  63  20.790   4.190   1.809
  461   3HG2  ILE  63          3HG2      ILE  63  20.584   5.180   0.362
  462   1HD1  ILE  63          1HD1      ILE  63  18.922   4.902  -1.104
  463   2HD1  ILE  63          2HD1      ILE  63  17.490   5.862  -1.473
  464   3HD1  ILE  63          3HD1      ILE  63  19.018   6.661  -1.113
  465    H    ARG  64           H        ARG  64  17.520   2.173   2.993
  466    HA   ARG  64           HA       ARG  64  20.031   1.135   3.936
  467   1HB   ARG  64          2HB       ARG  64  17.189   0.931   4.894
  468   2HB   ARG  64          1HB       ARG  64  18.475  -0.014   5.636
  469   1HG   ARG  64          2HG       ARG  64  19.679   2.030   6.184
  470   2HG   ARG  64          1HG       ARG  64  18.409   2.987   5.420
  471   1HD   ARG  64          2HD       ARG  64  16.812   1.851   7.052
  472   2HD   ARG  64          1HD       ARG  64  18.258   1.333   7.920
  473    HE   ARG  64           HE       ARG  64  18.238   4.145   7.382
  474   1HH1  ARG  64          2HH1      ARG  64  16.986   1.697   9.550
  475   2HH1  ARG  64          1HH1      ARG  64  16.863   2.787  10.903
  476   1HH2  ARG  64          2HH2      ARG  64  18.064   5.576   9.144
  477   2HH2  ARG  64          1HH2      ARG  64  17.455   4.992  10.663
  478    H    LEU  65           H        LEU  65  17.162  -0.177   2.350
  479    HA   LEU  65           HA       LEU  65  18.155  -2.883   2.525
  480   1HB   LEU  65          2HB       LEU  65  15.658  -1.611   1.955
  481   2HB   LEU  65          1HB       LEU  65  16.038  -2.723   0.657
  482    HG   LEU  65           HG       LEU  65  14.720  -3.936   2.204
  483   1HD1  LEU  65          1HD1      LEU  65  16.555  -5.244   1.379
  484   2HD1  LEU  65          2HD1      LEU  65  17.632  -4.598   2.618
  485   3HD1  LEU  65          3HD1      LEU  65  16.293  -5.651   3.076
  486   1HD2  LEU  65          1HD2      LEU  65  15.002  -3.964   4.540
  487   2HD2  LEU  65          2HD2      LEU  65  16.595  -3.213   4.437
  488   3HD2  LEU  65          3HD2      LEU  65  15.150  -2.270   4.069
  489    H    PHE  66           H        PHE  66  17.298  -0.788  -0.242
  490    HA   PHE  66           HA       PHE  66  19.260  -2.293  -1.854
  491   1HB   PHE  66          2HB       PHE  66  16.888  -0.910  -3.073
  492   2HB   PHE  66          1HB       PHE  66  17.832  -2.254  -3.706
  493    HD1  PHE  66           1HD      PHE  66  14.919  -1.285  -1.878
  494    HD2  PHE  66           2HD      PHE  66  17.603  -4.513  -2.576
  495    HE1  PHE  66           1HE      PHE  66  13.247  -2.861  -1.001
  496    HE2  PHE  66           2HE      PHE  66  15.935  -6.093  -1.699
  497    HZ   PHE  66           HZ       PHE  66  13.754  -5.268  -0.911
  498    H    GLY  67           H        GLY  67  19.988  -0.046  -0.375
  499   1HA   GLY  67          1HA       GLY  67  19.863   2.295  -2.038
  500   2HA   GLY  67          2HA       GLY  67  20.738   2.137  -0.523
  501    H    ASN  68           H        ASN  68  20.857   1.032  -3.893
  502    HA   ASN  68           HA       ASN  68  23.659   0.523  -3.913
  503   1HB   ASN  68          2HB       ASN  68  22.605  -0.559  -5.663
  504   2HB   ASN  68          1HB       ASN  68  21.491   0.770  -5.954
  505   1HD2  ASN  68          1HD2      ASN  68  21.793   1.776  -7.788
  506   2HD2  ASN  68          2HD2      ASN  68  23.292   1.943  -8.640
  507    H    SER  69           H        SER  69  25.355   1.869  -4.373
  508    HA   SER  69           HA       SER  69  25.043   4.593  -3.854
  509   1HB   SER  69          2HB       SER  69  27.470   3.724  -5.332
  510   2HB   SER  69          1HB       SER  69  27.327   4.670  -3.850
  511    HG   SER  69           HG       SER  69  27.791   2.048  -4.127
  512    H    GLY  70           H        GLY  70  23.722   5.717  -5.189
  513   1HA   GLY  70          1HA       GLY  70  24.557   5.901  -8.020
  514   2HA   GLY  70          2HA       GLY  70  22.884   6.055  -7.496
  515    H    ALA  71           H        ALA  71  25.830   7.408  -6.103
  516    HA   ALA  71           HA       ALA  71  24.873  10.109  -6.750
  517   1HB   ALA  71          1HB       ALA  71  24.450  10.518  -4.606
  518   2HB   ALA  71          2HB       ALA  71  25.038   8.922  -4.144
  519   3HB   ALA  71          3HB       ALA  71  26.162  10.276  -4.257
  520    H    GLY  72           H        GLY  72  26.384  10.739  -8.173
  521   1HA   GLY  72          1HA       GLY  72  28.750  11.772  -7.852
  522   2HA   GLY  72          2HA       GLY  72  29.198  10.084  -7.637
  523    H    GLY  73           H        GLY  73  27.373   9.022  -9.540
  524   1HA   GLY  73          1HA       GLY  73  28.574  10.039 -12.044
  525   2HA   GLY  73          2HA       GLY  73  28.112   8.361 -11.781
  526    H    SER  74           H        SER  74  26.136  10.897 -10.573
  527    HA   SER  74           HA       SER  74  24.067  10.187 -12.530
  528   1HB   SER  74          2HB       SER  74  22.998  11.491 -10.218
  529   2HB   SER  74          1HB       SER  74  22.761   9.824 -10.742
  530    HG   SER  74           HG       SER  74  23.700   9.745  -8.732
  531    H    GLY  75           H        GLY  75  24.212  11.713 -14.091
  532   1HA   GLY  75          1HA       GLY  75  24.712  14.486 -13.476
  533   2HA   GLY  75          2HA       GLY  75  24.329  13.819 -15.059
  534    H    GLY  76           H        GLY  76  21.934  12.542 -14.420
  535   1HA   GLY  76          1HA       GLY  76  20.204  14.854 -13.807
  536   2HA   GLY  76          2HA       GLY  76  19.769  13.569 -14.927
  537    H    HIS  77           H        HIS  77  18.251  12.325 -14.132
  538    HA   HIS  77           HA       HIS  77  16.967  11.101 -12.707
  539   1HB   HIS  77          2HB       HIS  77  19.530  10.182 -12.503
  540   2HB   HIS  77          1HB       HIS  77  19.149  10.518 -10.817
  541    HD1  HIS  77           1HD      HIS  77  18.951   8.124 -10.047
  542    HD2  HIS  77           2HD      HIS  77  16.500   9.003 -13.285
  543    HE1  HIS  77           1HE      HIS  77  17.451   6.126 -10.323
  544    HE2  HIS  77           2HE      HIS  77  15.834   6.781 -12.139
  545    H    MET  78           H        MET  78  16.765  13.772 -12.173
  546    HA   MET  78           HA       MET  78  16.547  13.793  -9.238
  547   1HB   MET  78          2HB       MET  78  17.979  15.590 -10.870
  548   2HB   MET  78          1HB       MET  78  16.547  16.455 -10.329
  549   1HG   MET  78          2HG       MET  78  18.583  15.092  -8.582
  550   2HG   MET  78          1HG       MET  78  18.386  16.828  -8.812
  551   1HE   MET  78          1HE       MET  78  17.092  13.587  -7.229
  552   2HE   MET  78          2HE       MET  78  18.084  14.505  -6.098
  553   3HE   MET  78          3HE       MET  78  16.376  14.238  -5.755
  554    H    GLY  79           H        GLY  79  14.835  15.341  -8.465
  555   1HA   GLY  79          1HA       GLY  79  12.713  16.387  -8.817
  556   2HA   GLY  79          2HA       GLY  79  12.564  15.496 -10.327
  557    H    SER  80           H        SER  80  13.557  13.039  -8.989
  558    HA   SER  80           HA       SER  80  11.044  12.006  -8.095
  559   1HB   SER  80          2HB       SER  80  13.334  10.330  -7.486
  560   2HB   SER  80          1HB       SER  80  12.005  10.040  -8.611
  561    HG   SER  80           HG       SER  80  14.319  10.297  -9.424
  562    H    GLY  81           H        GLY  81  10.638  11.086  -6.014
  563   1HA   GLY  81          1HA       GLY  81  11.097  10.861  -3.683
  564   2HA   GLY  81          2HA       GLY  81  12.329  12.109  -3.837
  565    H    GLY  82           H        GLY  82   8.916  11.457  -3.552
  566   1HA   GLY  82          1HA       GLY  82   8.226  14.289  -3.578
  567   2HA   GLY  82          2HA       GLY  82   7.110  12.940  -3.377
  568    H    ASP  83           H        ASP  83   9.689  12.406  -1.463
  569    HA   ASP  83           HA       ASP  83   8.303  12.776   0.969
  570   1HB   ASP  83          2HB       ASP  83  10.347  12.011   2.016
  571   2HB   ASP  83          1HB       ASP  83  10.085  11.067   0.552
  572    H    VAL  84           H        VAL  84   9.293  13.963   2.813
  573    HA   VAL  84           HA       VAL  84  10.420  16.554   1.971
  574    HB   VAL  84           HB       VAL  84   9.374  17.393   4.201
  575   1HG1  VAL  84          1HG1      VAL  84   8.699  17.674   1.607
  576   2HG1  VAL  84          2HG1      VAL  84   7.208  16.988   2.250
  577   3HG1  VAL  84          3HG1      VAL  84   7.861  18.477   2.934
  578   1HG2  VAL  84          1HG2      VAL  84   8.152  14.754   3.916
  579   2HG2  VAL  84          2HG2      VAL  84   8.256  15.809   5.326
  580   3HG2  VAL  84          3HG2      VAL  84   6.981  16.057   4.133
  581    H    MET  85           H        MET  85  11.774  14.116   2.625
  582    HA   MET  85           HA       MET  85  12.978  14.744   5.237
  583   1HB   MET  85          2HB       MET  85  11.928  12.394   4.494
  584   2HB   MET  85          1HB       MET  85  13.557  12.169   3.873
  585   1HG   MET  85          2HG       MET  85  13.909  11.349   5.935
  586   2HG   MET  85          1HG       MET  85  14.151  13.052   6.322
  587   1HE   MET  85          1HE       MET  85  12.698  14.228   8.331
  588   2HE   MET  85          2HE       MET  85  12.258  12.933   9.445
  589   3HE   MET  85          3HE       MET  85  13.831  12.911   8.647
  590    H    VAL  86           H        VAL  86  13.713  13.925   1.871
  591    HA   VAL  86           HA       VAL  86  16.414  15.021   2.324
  592    HB   VAL  86           HB       VAL  86  16.850  12.763   1.917
  593   1HG1  VAL  86          1HG1      VAL  86  15.342  12.387  -0.567
  594   2HG1  VAL  86          2HG1      VAL  86  15.565  11.307   0.808
  595   3HG1  VAL  86          3HG1      VAL  86  14.358  12.591   0.882
  596   1HG2  VAL  86          1HG2      VAL  86  17.612  14.637   0.000
  597   2HG2  VAL  86          2HG2      VAL  86  18.370  13.078   0.331
  598   3HG2  VAL  86          3HG2      VAL  86  17.131  13.208  -0.917
  599    H    VAL  87           H        VAL  87  13.644  14.790   0.154
  600    HA   VAL  87           HA       VAL  87  14.848  16.907  -1.509
  601    HB   VAL  87           HB       VAL  87  12.353  15.628  -2.452
  602   1HG1  VAL  87          1HG1      VAL  87  14.971  16.323  -3.787
  603   2HG1  VAL  87          2HG1      VAL  87  13.511  15.772  -4.610
  604   3HG1  VAL  87          3HG1      VAL  87  13.518  17.323  -3.767
  605   1HG2  VAL  87          1HG2      VAL  87  14.166  13.883  -1.455
  606   2HG2  VAL  87          2HG2      VAL  87  13.093  13.533  -2.811
  607   3HG2  VAL  87          3HG2      VAL  87  14.751  14.057  -3.109
  608    H    GLY  88           H        GLY  88  13.040  16.787   1.104
  609   1HA   GLY  88          1HA       GLY  88  10.735  18.336   0.386
  610   2HA   GLY  88          2HA       GLY  88  11.350  18.075   2.013
  611    H    GLU  89           H        GLU  89  13.909  19.065   1.733
  612    HA   GLU  89           HA       GLU  89  13.503  21.879   0.973
  613   1HB   GLU  89          2HB       GLU  89  14.045  20.823   3.578
  614   2HB   GLU  89          1HB       GLU  89  15.456  21.725   3.038
  615   1HG   GLU  89          2HG       GLU  89  13.007  23.153   2.488
  616   2HG   GLU  89          1HG       GLU  89  13.157  22.749   4.198
  617    HA   PRO  90           HA       PRO  90  16.925  21.251  -1.706
  618   1HB   PRO  90          2HB       PRO  90  17.707  24.025  -0.961
  619   2HB   PRO  90          1HB       PRO  90  17.429  23.325  -2.559
  620   1HG   PRO  90          2HG       PRO  90  15.633  24.951  -1.452
  621   2HG   PRO  90          1HG       PRO  90  15.129  23.541  -2.401
  622   1HD   PRO  90          2HD       PRO  90  15.146  23.931   0.557
  623   2HD   PRO  90          1HD       PRO  90  13.988  23.049  -0.459
  624    H    THR  91           H        THR  91  18.306  19.824  -0.727
  625    HA   THR  91           HA       THR  91  20.356  20.991   1.041
  626    HB   THR  91           HB       THR  91  19.979  18.057   1.110
  627    HG1  THR  91           1HG      THR  91  17.821  19.478   1.279
  628   1HG2  THR  91          1HG2      THR  91  21.049  20.190   2.756
  629   2HG2  THR  91          2HG2      THR  91  21.370  18.456   2.813
  630   3HG2  THR  91          3HG2      THR  91  19.985  19.126   3.677
  631    H    LEU  92           H        LEU  92  19.676  18.476  -1.364
  632    HA   LEU  92           HA       LEU  92  22.106  19.095  -2.756
  633   1HB   LEU  92          2HB       LEU  92  22.556  17.310  -0.842
  634   2HB   LEU  92          1HB       LEU  92  21.896  16.211  -2.036
  635    HG   LEU  92           HG       LEU  92  24.519  16.780  -1.819
  636   1HD1  LEU  92          1HD1      LEU  92  24.677  16.048  -4.233
  637   2HD1  LEU  92          2HD1      LEU  92  23.767  14.993  -3.151
  638   3HD1  LEU  92          3HD1      LEU  92  22.914  16.072  -4.254
  639   1HD2  LEU  92          1HD2      LEU  92  25.225  18.313  -3.522
  640   2HD2  LEU  92          2HD2      LEU  92  23.556  18.618  -4.005
  641   3HD2  LEU  92          3HD2      LEU  92  24.130  19.157  -2.426
  642    H    MET  93           H        MET  93  20.921  19.526  -4.521
  643    HA   MET  93           HA       MET  93  19.012  17.576  -5.538
  644   1HB   MET  93          2HB       MET  93  19.040  20.294  -5.593
  645   2HB   MET  93          1HB       MET  93  19.722  19.933  -7.171
  646   1HG   MET  93          2HG       MET  93  17.678  19.645  -7.945
  647   2HG   MET  93          1HG       MET  93  17.504  18.248  -6.884
  648   1HE   MET  93          1HE       MET  93  17.221  22.377  -5.542
  649   2HE   MET  93          2HE       MET  93  17.526  21.902  -7.212
  650   3HE   MET  93          3HE       MET  93  15.904  22.383  -6.714
  651    H    GLY  94           H        GLY  94  21.502  16.505  -5.424
  652   1HA   GLY  94          1HA       GLY  94  22.682  16.761  -8.096
  653   2HA   GLY  94          2HA       GLY  94  23.432  15.994  -6.704
  654    H    GLY  95           H        GLY  95  20.303  14.978  -6.787
  655   1HA   GLY  95          1HA       GLY  95  19.233  13.088  -7.538
  656   2HA   GLY  95          2HA       GLY  95  20.391  13.036  -8.861
  657    H    GLU  96           H        GLU  96  20.670  12.725  -5.328
  658    HA   GLU  96           HA       GLU  96  22.508  10.512  -5.632
  659   1HB   GLU  96          2HB       GLU  96  21.635  10.799  -2.929
  660   2HB   GLU  96          1HB       GLU  96  23.209  11.175  -3.615
  661   1HG   GLU  96          2HG       GLU  96  22.778  13.262  -2.964
  662   2HG   GLU  96          1HG       GLU  96  21.743  13.334  -4.389
  663    H    PHE  97           H        PHE  97  21.304   8.916  -6.588
  664    HA   PHE  97           HA       PHE  97  19.870   7.188  -6.807
  665   1HB   PHE  97          2HB       PHE  97  20.811   6.936  -4.267
  666   2HB   PHE  97          1HB       PHE  97  19.078   7.046  -3.966
  667    HD1  PHE  97           1HD      PHE  97  18.413   4.898  -3.412
  668    HD2  PHE  97           2HD      PHE  97  20.901   5.488  -6.814
  669    HE1  PHE  97           1HE      PHE  97  18.144   2.529  -4.016
  670    HE2  PHE  97           2HE      PHE  97  20.635   3.120  -7.424
  671    HZ   PHE  97           HZ       PHE  97  19.258   1.636  -6.022
  672    H    GLY  98           H        GLY  98  18.740   9.300  -7.645
  673   1HA   GLY  98          1HA       GLY  98  16.237   9.851  -6.243
  674   2HA   GLY  98          2HA       GLY  98  16.808  10.639  -7.711
  675    H    ASP  99           H        ASP  99  15.986   7.356  -6.639
  676    HA   ASP  99           HA       ASP  99  15.323   6.483  -9.228
  677   1HB   ASP  99          2HB       ASP  99  15.867   5.211  -6.912
  678   2HB   ASP  99          1HB       ASP  99  14.113   5.034  -6.948
  679    H    GLU 100           H        GLU 100  13.540   6.599 -10.384
  680    HA   GLU 100           HA       GLU 100  11.214   7.942  -9.278
  681   1HB   GLU 100          2HB       GLU 100  11.045   6.996 -12.049
  682   2HB   GLU 100          1HB       GLU 100  10.764   8.599 -11.388
  683   1HG   GLU 100          2HG       GLU 100  12.575   9.050 -12.667
  684   2HG   GLU 100          1HG       GLU 100  13.403   8.576 -11.184
  685    H    ASP 101           H        ASP 101  12.063   5.042  -8.770
  686    HA   ASP 101           HA       ASP 101   9.931   3.453  -9.838
  687   1HB   ASP 101          2HB       ASP 101  12.276   2.699  -9.016
  688   2HB   ASP 101          1HB       ASP 101  11.555   2.730  -7.412
  689    H    GLU 102           H        GLU 102   9.993   5.821  -7.550
  690    HA   GLU 102           HA       GLU 102   8.160   4.617  -5.666
  691   1HB   GLU 102          2HB       GLU 102   8.200   6.959  -4.660
  692   2HB   GLU 102          1HB       GLU 102   9.712   6.066  -4.654
  693   1HG   GLU 102          2HG       GLU 102  10.681   7.807  -5.617
  694   2HG   GLU 102          1HG       GLU 102   9.701   7.510  -7.053
  695    H    ARG 103           H        ARG 103   6.961   7.466  -5.432
  696    HA   ARG 103           HA       ARG 103   5.017   8.485  -5.962
  697   1HB   ARG 103          2HB       ARG 103   6.524   8.430  -8.244
  698   2HB   ARG 103          1HB       ARG 103   5.016   7.717  -8.798
  699   1HG   ARG 103          2HG       ARG 103   5.377  10.283  -8.940
  700   2HG   ARG 103          1HG       ARG 103   3.813   9.636  -8.439
  701   1HD   ARG 103          2HD       ARG 103   4.330  11.393  -6.937
  702   2HD   ARG 103          1HD       ARG 103   4.598   9.887  -6.060
  703    HE   ARG 103           HE       ARG 103   6.983  10.214  -6.394
  704   1HH1  ARG 103          2HH1      ARG 103   4.892  12.982  -6.878
  705   2HH1  ARG 103          1HH1      ARG 103   6.177  14.138  -6.696
  706   1HH2  ARG 103          2HH2      ARG 103   8.663  11.705  -6.207
  707   2HH2  ARG 103          1HH2      ARG 103   8.334  13.417  -6.329
  708    H    LEU 104           H        LEU 104   4.585   6.032  -4.895
  709    HA   LEU 104           HA       LEU 104   2.406   4.932  -6.533
  710   1HB   LEU 104          2HB       LEU 104   4.187   3.688  -4.462
  711   2HB   LEU 104          1HB       LEU 104   2.651   2.960  -4.887
  712    HG   LEU 104           HG       LEU 104   4.183   3.537  -7.265
  713   1HD1  LEU 104          1HD1      LEU 104   5.530   1.393  -5.767
  714   2HD1  LEU 104          2HD1      LEU 104   6.182   2.569  -6.910
  715   3HD1  LEU 104          3HD1      LEU 104   5.891   3.036  -5.234
  716   1HD2  LEU 104          1HD2      LEU 104   2.692   1.325  -6.013
  717   2HD2  LEU 104          2HD2      LEU 104   2.656   1.929  -7.669
  718   3HD2  LEU 104          3HD2      LEU 104   3.956   0.857  -7.151
  719    H    ILE 105           H        ILE 105   2.961   6.937  -3.937
  720    HA   ILE 105           HA       ILE 105   0.699   5.969  -2.374
  721    HB   ILE 105           HB       ILE 105   2.862   7.965  -1.852
  722   1HG1  ILE 105          2HG1      ILE 105   1.632   5.725  -0.231
  723   1HG2  ILE 105          1HG2      ILE 105   1.600   8.576   0.278
  724   2HG2  ILE 105          2HG2      ILE 105   1.045   9.323  -1.215
  725   3HG2  ILE 105          3HG2      ILE 105   0.160   7.962  -0.527
  726   1HD1  ILE 105          1HD1      ILE 105   3.886   5.956   0.991
  727   2HD1  ILE 105          2HD1      ILE 105   3.884   7.598   0.345
  728   3HD1  ILE 105          3HD1      ILE 105   2.574   7.062   1.398
  729    H    THR 106           H        THR 106  -1.240   6.673  -2.534
  730    HA   THR 106           HA       THR 106  -1.767   9.403  -3.520
  731    HB   THR 106           HB       THR 106  -3.923   7.387  -3.770
  732    HG1  THR 106           1HG      THR 106  -1.513   6.853  -4.762
  733   1HG2  THR 106          1HG2      THR 106  -3.741   9.914  -4.558
  734   2HG2  THR 106          2HG2      THR 106  -4.702   8.713  -5.424
  735   3HG2  THR 106          3HG2      THR 106  -3.090   9.139  -6.004
  736    H    ARG 107           H        ARG 107  -2.413  10.556  -1.758
  737    HA   ARG 107           HA       ARG 107  -3.962   9.106   0.291
  738   1HB   ARG 107          2HB       ARG 107  -1.477   9.365   0.747
  739   2HB   ARG 107          1HB       ARG 107  -1.781  11.089   0.906
  740   1HG   ARG 107          2HG       ARG 107  -3.354   9.140   2.535
  741   2HG   ARG 107          1HG       ARG 107  -1.721   9.600   3.021
  742   1HD   ARG 107          2HD       ARG 107  -2.749  12.029   2.528
  743   2HD   ARG 107          1HD       ARG 107  -4.223  11.182   2.992
  744    HE   ARG 107           HE       ARG 107  -3.363  10.892   5.155
  745   1HH1  ARG 107          2HH1      ARG 107  -1.101  12.601   3.081
  746   2HH1  ARG 107          1HH1      ARG 107  -0.172  13.215   4.415
  747   1HH2  ARG 107          2HH2      ARG 107  -2.132  11.671   6.884
  748   2HH2  ARG 107          1HH2      ARG 107  -0.736  12.672   6.582
  749    H    LEU 108           H        LEU 108  -5.753   9.987   0.795
  750    HA   LEU 108           HA       LEU 108  -5.805  12.734   1.575
  751   1HB   LEU 108          2HB       LEU 108  -7.299  11.860  -0.792
  752   2HB   LEU 108          1HB       LEU 108  -8.324  12.572   0.437
  753    HG   LEU 108           HG       LEU 108  -7.853  14.474  -0.694
  754   1HD1  LEU 108          1HD1      LEU 108  -5.285  14.231   0.864
  755   2HD1  LEU 108          2HD1      LEU 108  -6.000  15.725   0.256
  756   3HD1  LEU 108          3HD1      LEU 108  -6.826  14.795   1.507
  757   1HD2  LEU 108          1HD2      LEU 108  -5.082  14.097  -1.487
  758   2HD2  LEU 108          2HD2      LEU 108  -6.149  12.831  -2.098
  759   3HD2  LEU 108          3HD2      LEU 108  -6.491  14.524  -2.457
  760    H    GLU 109           H        GLU 109  -6.126  12.155   3.663
  761    HA   GLU 109           HA       GLU 109  -7.821   9.883   4.218
  762   1HB   GLU 109          2HB       GLU 109  -5.913  11.549   5.805
  763   2HB   GLU 109          1HB       GLU 109  -7.082  10.543   6.652
  764   1HG   GLU 109          2HG       GLU 109  -6.213   8.564   5.693
  765   2HG   GLU 109          1HG       GLU 109  -5.245   9.469   4.531
  766    H    ASN 110           H        ASN 110  -9.760  10.748   3.538
  767    HA   ASN 110           HA       ASN 110 -11.513  11.505   5.524
  768   1HB   ASN 110          2HB       ASN 110 -10.206  13.713   5.203
  769   2HB   ASN 110          1HB       ASN 110 -11.060  13.852   3.671
  770   1HD2  ASN 110          1HD2      ASN 110 -11.486  15.874   5.179
  771   2HD2  ASN 110          2HD2      ASN 110 -13.020  15.813   5.995
  772    H    THR 111           H        THR 111 -13.556  12.686   4.099
  773    HA   THR 111           HA       THR 111 -14.248  10.667   2.182
  774    HB   THR 111           HB       THR 111 -16.028  12.839   1.933
  775    HG1  THR 111           1HG      THR 111 -16.518  13.145   4.215
  776   1HG2  THR 111          1HG2      THR 111 -17.131  10.862   1.938
  777   2HG2  THR 111          2HG2      THR 111 -17.267  11.175   3.668
  778   3HG2  THR 111          3HG2      THR 111 -15.994  10.113   3.060
  779    H    GLN 112           H        GLN 112 -12.023  12.839   1.826
  780    HA   GLN 112           HA       GLN 112 -12.715  14.254  -0.557
  781   1HB   GLN 112          2HB       GLN 112  -9.898  13.598   0.307
  782   2HB   GLN 112          1HB       GLN 112 -10.471  15.007  -0.576
  783   1HG   GLN 112          2HG       GLN 112 -10.873  14.388   2.337
  784   2HG   GLN 112          1HG       GLN 112  -9.900  15.677   1.636
  785   1HE2  GLN 112          1HE2      GLN 112 -11.071  17.310   0.370
  786   2HE2  GLN 112          2HE2      GLN 112 -12.665  17.761   0.890
  787    H    PHE 113           H        PHE 113 -10.808  11.370   0.182
  788    HA   PHE 113           HA       PHE 113 -10.801  10.674  -2.663
  789   1HB   PHE 113          2HB       PHE 113  -8.897  10.326  -0.490
  790   2HB   PHE 113          1HB       PHE 113  -9.204   8.816  -1.337
  791    HD1  PHE 113           1HD      PHE 113  -6.550   9.841  -1.423
  792    HD2  PHE 113           2HD      PHE 113  -9.884  10.904  -3.841
  793    HE1  PHE 113           1HE      PHE 113  -5.022  10.547  -3.211
  794    HE2  PHE 113           2HE      PHE 113  -8.360  11.615  -5.636
  795    HZ   PHE 113           HZ       PHE 113  -5.925  11.439  -5.321
  796    H    ASP 114           H        ASP 114 -10.436   7.871  -2.298
  797    HA   ASP 114           HA       ASP 114 -13.184   7.136  -2.041
  798   1HB   ASP 114          2HB       ASP 114 -11.214   6.206  -3.565
  799   2HB   ASP 114          1HB       ASP 114 -11.074   5.053  -2.242
  800    H    ALA 115           H        ALA 115 -12.422   8.050   0.433
  801    HA   ALA 115           HA       ALA 115 -12.176   5.649   2.106
  802   1HB   ALA 115          1HB       ALA 115 -11.938   7.222   3.990
  803   2HB   ALA 115          2HB       ALA 115 -10.733   7.515   2.736
  804   3HB   ALA 115          3HB       ALA 115 -12.137   8.574   2.874
  805    H    ALA 116           H        ALA 116 -14.484   6.896   0.429
  806    HA   ALA 116           HA       ALA 116 -16.513   7.088   2.528
  807   1HB   ALA 116          1HB       ALA 116 -16.102   8.576   0.230
  808   2HB   ALA 116          2HB       ALA 116 -17.465   7.531  -0.178
  809   3HB   ALA 116          3HB       ALA 116 -17.550   8.583   1.237
  810    H    ASN 117           H        ASN 117 -16.695   4.894   3.026
  811    HA   ASN 117           HA       ASN 117 -17.414   2.972   0.978
  812   1HB   ASN 117          2HB       ASN 117 -16.211   2.078   2.841
  813   2HB   ASN 117          1HB       ASN 117 -17.279   2.864   3.997
  814   1HD2  ASN 117          1HD2      ASN 117 -18.795   1.667   4.870
  815   2HD2  ASN 117          2HD2      ASN 117 -19.382   0.153   4.249
  816    H    GLY 118           H        GLY 118 -18.926   4.812   3.548
  817   1HA   GLY 118          1HA       GLY 118 -21.368   5.121   2.188
  818   2HA   GLY 118          2HA       GLY 118 -21.535   3.828   3.372
  819    H    ILE 119           H        ILE 119 -22.782   6.502   3.281
  820    HA   ILE 119           HA       ILE 119 -21.637   7.658   5.734
  821    HB   ILE 119           HB       ILE 119 -23.608   8.971   3.857
  822   1HG1  ILE 119          2HG1      ILE 119 -20.707   9.728   4.016
  823   1HG2  ILE 119          1HG2      ILE 119 -23.831  10.191   5.761
  824   2HG2  ILE 119          2HG2      ILE 119 -22.221   9.772   6.348
  825   3HG2  ILE 119          3HG2      ILE 119 -22.412  10.997   5.094
  826   1HD1  ILE 119          1HD1      ILE 119 -22.227  11.211   2.802
  827   2HD1  ILE 119          2HD1      ILE 119 -21.027  10.472   1.739
  828   3HD1  ILE 119          3HD1      ILE 119 -22.685   9.870   1.753
  829    H    ASP 120           H        ASP 120 -22.575   6.312   7.225
  830    HA   ASP 120           HA       ASP 120 -25.490   6.577   7.490
  831   1HB   ASP 120          2HB       ASP 120 -24.823   4.317   6.558
  832   2HB   ASP 120          1HB       ASP 120 -23.992   4.019   8.083
  833    H    ASP 121           H        ASP 121 -26.134   7.169   9.444
  834    HA   ASP 121           HA       ASP 121 -24.129   7.557  11.504
  835   1HB   ASP 121          2HB       ASP 121 -26.221   9.083  10.743
  836   2HB   ASP 121          1HB       ASP 121 -26.975   8.187  12.058
  837    H    GLU 122           H        GLU 122 -25.207   7.173  13.857
  838    HA   GLU 122           HA       GLU 122 -25.376   4.301  14.005
  839   1HB   GLU 122          2HB       GLU 122 -25.627   6.250  16.292
  840   2HB   GLU 122          1HB       GLU 122 -25.130   4.565  16.363
  841   1HG   GLU 122          2HG       GLU 122 -23.546   6.594  14.833
  842   2HG   GLU 122          1HG       GLU 122 -23.337   6.379  16.569
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -16.572   6.376 -12.634
    2   2H    GLY   1          2H        GLY   1 -16.918   5.356 -11.325
    3   3H    GLY   1          3H        GLY   1 -17.317   4.878 -12.901
    4   1HA   GLY   1          2HA       GLY   1 -15.320   4.030 -13.275
    5   2HA   GLY   1          1HA       GLY   1 -14.555   5.509 -12.705
    6    H    SER   2           H        SER   2 -13.003   3.827 -11.913
    7    HA   SER   2           HA       SER   2 -12.002   2.730 -10.204
    8   1HB   SER   2          2HB       SER   2 -14.112   3.905  -8.389
    9   2HB   SER   2          1HB       SER   2 -12.469   3.424  -7.968
   10    HG   SER   2           HG       SER   2 -11.895   5.377  -8.441
   11    H    LEU   3           H        LEU   3 -12.584   0.707 -11.051
   12    HA   LEU   3           HA       LEU   3 -14.977  -0.600 -10.049
   13   1HB   LEU   3          2HB       LEU   3 -13.290  -0.942 -12.280
   14   2HB   LEU   3          1HB       LEU   3 -13.120  -2.396 -11.315
   15    HG   LEU   3           HG       LEU   3 -15.904  -1.689 -11.560
   16   1HD1  LEU   3          1HD1      LEU   3 -16.258  -1.773 -13.863
   17   2HD1  LEU   3          2HD1      LEU   3 -14.906  -0.654 -13.681
   18   3HD1  LEU   3          3HD1      LEU   3 -14.613  -2.317 -14.190
   19   1HD2  LEU   3          1HD2      LEU   3 -16.119  -3.921 -11.704
   20   2HD2  LEU   3          2HD2      LEU   3 -14.858  -4.067 -12.926
   21   3HD2  LEU   3          3HD2      LEU   3 -14.422  -3.934 -11.223
   22    H    SER   4           H        SER   4 -11.894  -0.021  -8.924
   23    HA   SER   4           HA       SER   4 -11.516  -2.478  -7.472
   24   1HB   SER   4          2HB       SER   4  -9.970  -0.447  -6.290
   25   2HB   SER   4          1HB       SER   4  -9.424  -1.661  -7.445
   26    HG   SER   4           HG       SER   4  -8.952   0.383  -8.250
   27    H    TRP   5           H        TRP   5 -11.828  -2.794  -5.270
   28    HA   TRP   5           HA       TRP   5 -13.755  -0.927  -4.092
   29   1HB   TRP   5          2HB       TRP   5 -13.881  -3.659  -4.371
   30   2HB   TRP   5          1HB       TRP   5 -13.367  -3.466  -2.695
   31    HD1  TRP   5           HD       TRP   5 -16.147  -2.156  -5.038
   32    HE1  TRP   5           1HE      TRP   5 -18.266  -1.754  -3.618
   33    HE3  TRP   5           3HE      TRP   5 -14.241  -3.273  -0.431
   34    HZ2  TRP   5           2HZ      TRP   5 -19.007  -1.888  -0.894
   35    HZ3  TRP   5           3HZ      TRP   5 -15.709  -3.104   1.533
   36    HH2  TRP   5           HH       TRP   5 -18.046  -2.427   1.304
   37    H    LYS   6           H        LYS   6 -13.651  -0.443  -1.848
   38    HA   LYS   6           HA       LYS   6 -11.011   0.282  -1.080
   39   1HB   LYS   6          2HB       LYS   6 -13.391   1.395  -0.618
   40   2HB   LYS   6          1HB       LYS   6 -13.228   0.490   0.882
   41   1HG   LYS   6          2HG       LYS   6 -11.813   1.977   1.704
   42   2HG   LYS   6          1HG       LYS   6 -10.782   1.871   0.274
   43   1HD   LYS   6          2HD       LYS   6 -11.477   3.872  -0.396
   44   2HD   LYS   6          1HD       LYS   6 -13.149   3.307  -0.402
   45   1HE   LYS   6          2HE       LYS   6 -12.953   3.677   2.188
   46   2HE   LYS   6          1HE       LYS   6 -11.633   4.751   1.723
   47   1HZ   LYS   6          1HZ       LYS   6 -13.097   6.082   0.465
   48   2HZ   LYS   6          2HZ       LYS   6 -13.871   5.815   1.947
   49   3HZ   LYS   6          3HZ       LYS   6 -14.359   4.952   0.568
   50    H    ARG   7           H        ARG   7 -10.070  -1.833  -0.953
   51    HA   ARG   7           HA       ARG   7 -10.474  -2.987   1.716
   52   1HB   ARG   7          2HB       ARG   7 -10.446  -5.137   0.966
   53   2HB   ARG   7          1HB       ARG   7 -11.096  -4.387  -0.484
   54   1HG   ARG   7          2HG       ARG   7  -9.350  -5.027  -1.690
   55   2HG   ARG   7          1HG       ARG   7  -8.206  -4.395  -0.503
   56   1HD   ARG   7          2HD       ARG   7  -9.632  -6.883   0.213
   57   2HD   ARG   7          1HD       ARG   7  -8.436  -7.001  -1.077
   58    HE   ARG   7           HE       ARG   7  -7.526  -5.647   1.312
   59   1HH1  ARG   7          2HH1      ARG   7  -7.829  -8.721  -0.347
   60   2HH1  ARG   7          1HH1      ARG   7  -6.507  -9.458   0.511
   61   1HH2  ARG   7          2HH2      ARG   7  -5.777  -6.589   2.414
   62   2HH2  ARG   7          1HH2      ARG   7  -5.312  -8.231   2.071
   63    H    CYS   8           H        CYS   8  -8.709  -3.180   2.934
   64    HA   CYS   8           HA       CYS   8  -6.359  -1.791   2.030
   65   1HB   CYS   8          2HB       CYS   8  -7.210  -1.221   4.185
   66   2HB   CYS   8          1HB       CYS   8  -7.249  -2.904   4.689
   67    H    ALA   9           H        ALA   9  -4.456  -2.630   1.528
   68    HA   ALA   9           HA       ALA   9  -4.136  -5.535   1.549
   69   1HB   ALA   9          1HB       ALA   9  -2.745  -5.272  -0.207
   70   2HB   ALA   9          2HB       ALA   9  -3.501  -3.684  -0.326
   71   3HB   ALA   9          3HB       ALA   9  -1.953  -3.862   0.500
   72    H    GLY  10           H        GLY  10  -3.671  -3.143   3.697
   73   1HA   GLY  10          1HA       GLY  10  -0.992  -3.842   4.578
   74   2HA   GLY  10          2HA       GLY  10  -2.064  -2.662   5.317
   75    H    CYS  11           H        CYS  11  -4.210  -3.897   6.118
   76    HA   CYS  11           HA       CYS  11  -3.173  -5.887   7.990
   77   1HB   CYS  11          2HB       CYS  11  -5.339  -5.496   9.202
   78   2HB   CYS  11          1HB       CYS  11  -4.292  -4.091   9.085
   79    H    GLY  12           H        GLY  12  -5.745  -5.408   5.634
   80   1HA   GLY  12          1HA       GLY  12  -5.993  -7.325   4.106
   81   2HA   GLY  12          2HA       GLY  12  -6.014  -8.346   5.531
   82    H    GLY  13           H        GLY  13  -7.792  -5.465   5.990
   83   1HA   GLY  13          1HA       GLY  13 -10.248  -6.991   5.515
   84   2HA   GLY  13          2HA       GLY  13 -10.073  -5.717   6.713
   85    H    LYS  14           H        LYS  14 -11.825  -4.678   5.878
   86    HA   LYS  14           HA       LYS  14 -11.509  -3.407   3.241
   87   1HB   LYS  14          2HB       LYS  14 -13.904  -4.070   4.907
   88   2HB   LYS  14          1HB       LYS  14 -13.978  -2.691   3.820
   89   1HG   LYS  14          2HG       LYS  14 -14.286  -4.000   2.058
   90   2HG   LYS  14          1HG       LYS  14 -12.897  -5.004   2.480
   91   1HD   LYS  14          2HD       LYS  14 -14.936  -5.617   4.331
   92   2HD   LYS  14          1HD       LYS  14 -15.687  -5.585   2.735
   93   1HE   LYS  14          2HE       LYS  14 -14.610  -7.430   2.055
   94   2HE   LYS  14          1HE       LYS  14 -13.098  -6.948   2.823
   95   1HZ   LYS  14          1HZ       LYS  14 -13.615  -8.693   4.137
   96   2HZ   LYS  14          2HZ       LYS  14 -15.282  -8.567   3.870
   97   3HZ   LYS  14          3HZ       LYS  14 -14.518  -7.526   4.968
   98    H    ILE  15           H        ILE  15 -11.793  -1.114   3.101
   99    HA   ILE  15           HA       ILE  15 -11.084   0.215   5.619
  100    HB   ILE  15           HB       ILE  15 -11.028   1.672   3.021
  101   1HG1  ILE  15          2HG1      ILE  15  -8.969  -0.368   3.903
  102   1HG2  ILE  15          1HG2      ILE  15 -10.456   2.440   5.504
  103   2HG2  ILE  15          2HG2      ILE  15  -8.874   1.795   5.055
  104   3HG2  ILE  15          3HG2      ILE  15  -9.607   3.082   4.096
  105   1HD1  ILE  15          1HD1      ILE  15  -7.566   1.241   3.086
  106   2HD1  ILE  15          2HD1      ILE  15  -7.961   0.354   1.615
  107   3HD1  ILE  15          3HD1      ILE  15  -8.771   1.880   1.967
  108    H    ALA  16           H        ALA  16 -12.915   0.682   6.660
  109    HA   ALA  16           HA       ALA  16 -15.099   1.999   5.197
  110   1HB   ALA  16          1HB       ALA  16 -14.926   0.380   7.646
  111   2HB   ALA  16          2HB       ALA  16 -16.004   1.772   7.747
  112   3HB   ALA  16          3HB       ALA  16 -16.248   0.557   6.493
  113    H    ASP  17           H        ASP  17 -12.355   2.667   6.866
  114    HA   ASP  17           HA       ASP  17 -13.093   4.900   8.444
  115   1HB   ASP  17          2HB       ASP  17 -10.546   3.733   7.428
  116   2HB   ASP  17          1HB       ASP  17 -10.516   5.405   7.982
  117    H    ARG  18           H        ARG  18 -12.940   7.086   8.011
  118    HA   ARG  18           HA       ARG  18 -13.619   7.882   5.379
  119   1HB   ARG  18          2HB       ARG  18 -14.194   8.975   7.666
  120   2HB   ARG  18          1HB       ARG  18 -12.645   9.786   7.489
  121   1HG   ARG  18          2HG       ARG  18 -13.365  10.807   5.430
  122   2HG   ARG  18          1HG       ARG  18 -14.887   9.914   5.486
  123   1HD   ARG  18          2HD       ARG  18 -14.158  11.609   7.820
  124   2HD   ARG  18          1HD       ARG  18 -14.707  12.408   6.348
  125    HE   ARG  18           HE       ARG  18 -16.507  10.345   6.950
  126   1HH1  ARG  18          2HH1      ARG  18 -15.435  13.400   8.309
  127   2HH1  ARG  18          1HH1      ARG  18 -16.970  13.748   9.045
  128   1HH2  ARG  18          2HH2      ARG  18 -18.531  10.824   7.911
  129   2HH2  ARG  18          1HH2      ARG  18 -18.729  12.313   8.796
  130    H    PHE  19           H        PHE  19 -10.643   7.773   7.176
  131    HA   PHE  19           HA       PHE  19  -9.227   9.147   4.998
  132   1HB   PHE  19          2HB       PHE  19  -8.315   8.489   7.808
  133   2HB   PHE  19          1HB       PHE  19  -7.346   9.324   6.605
  134    HD1  PHE  19           1HD      PHE  19  -7.507  10.639   9.048
  135    HD2  PHE  19           2HD      PHE  19 -10.422  10.596   5.949
  136    HE1  PHE  19           1HE      PHE  19  -8.397  12.785   9.859
  137    HE2  PHE  19           2HE      PHE  19 -11.315  12.739   6.750
  138    HZ   PHE  19           HZ       PHE  19 -10.302  13.840   8.709
  139    H    LEU  20           H        LEU  20  -7.946   7.997   3.656
  140    HA   LEU  20           HA       LEU  20  -6.747   5.532   4.508
  141   1HB   LEU  20          2HB       LEU  20  -7.817   4.028   3.048
  142   2HB   LEU  20          1HB       LEU  20  -9.074   4.875   3.910
  143    HG   LEU  20           HG       LEU  20 -10.061   4.945   1.901
  144   1HD1  LEU  20          1HD1      LEU  20 -10.052   7.015   1.100
  145   2HD1  LEU  20          2HD1      LEU  20  -8.793   7.340   2.293
  146   3HD1  LEU  20          3HD1      LEU  20  -8.350   6.925   0.634
  147   1HD2  LEU  20          1HD2      LEU  20  -7.724   3.727   1.113
  148   2HD2  LEU  20          2HD2      LEU  20  -9.185   3.932   0.146
  149   3HD2  LEU  20          3HD2      LEU  20  -7.873   5.103   0.019
  150    H    LEU  21           H        LEU  21  -5.684   4.432   2.479
  151    HA   LEU  21           HA       LEU  21  -4.536   6.546   0.776
  152   1HB   LEU  21          2HB       LEU  21  -3.191   5.490   2.851
  153   2HB   LEU  21          1HB       LEU  21  -2.804   4.296   1.627
  154    HG   LEU  21           HG       LEU  21  -2.424   7.026   0.679
  155   1HD1  LEU  21          1HD1      LEU  21  -0.902   6.068   3.095
  156   2HD1  LEU  21          2HD1      LEU  21  -0.327   7.340   2.017
  157   3HD1  LEU  21          3HD1      LEU  21  -1.826   7.561   2.921
  158   1HD2  LEU  21          1HD2      LEU  21  -0.496   4.727   0.932
  159   2HD2  LEU  21          2HD2      LEU  21  -1.641   4.915  -0.397
  160   3HD2  LEU  21          3HD2      LEU  21  -0.377   6.118  -0.147
  161    H    TYR  22           H        TYR  22  -3.550   5.742  -1.184
  162    HA   TYR  22           HA       TYR  22  -4.513   3.105  -2.054
  163   1HB   TYR  22          2HB       TYR  22  -4.303   5.429  -3.956
  164   2HB   TYR  22          1HB       TYR  22  -5.190   3.926  -4.155
  165    HD1  TYR  22           1HD      TYR  22  -7.420   3.677  -3.294
  166    HD2  TYR  22           2HD      TYR  22  -5.254   7.276  -2.601
  167    HE1  TYR  22           1HE      TYR  22  -9.503   4.805  -2.645
  168    HE2  TYR  22           2HE      TYR  22  -7.330   8.405  -1.949
  169    HH   TYR  22           HH       TYR  22  -9.540   7.914  -1.166
  170    H    ALA  23           H        ALA  23  -2.874   1.856  -2.794
  171    HA   ALA  23           HA       ALA  23  -0.577   3.102  -4.058
  172   1HB   ALA  23          1HB       ALA  23  -0.348   1.603  -1.456
  173   2HB   ALA  23          2HB       ALA  23   1.019   1.932  -2.520
  174   3HB   ALA  23          3HB       ALA  23   0.131   3.268  -1.789
  175    H    MET  24           H        MET  24   0.048   1.925  -5.706
  176    HA   MET  24           HA       MET  24   0.384   0.187  -7.122
  177   1HB   MET  24          2HB       MET  24   0.779  -0.951  -4.462
  178   2HB   MET  24          1HB       MET  24   0.288  -2.152  -5.645
  179   1HG   MET  24          2HG       MET  24   2.744  -0.453  -5.560
  180   2HG   MET  24          1HG       MET  24   2.598  -2.197  -5.767
  181   1HE   MET  24          1HE       MET  24   4.358  -0.086  -7.153
  182   2HE   MET  24          2HE       MET  24   4.588  -1.539  -8.124
  183   3HE   MET  24          3HE       MET  24   4.144  -0.021  -8.901
  184    H    ASP  25           H        ASP  25  -2.220   1.146  -6.748
  185    HA   ASP  25           HA       ASP  25  -4.357   0.741  -7.344
  186   1HB   ASP  25          2HB       ASP  25  -2.897  -1.384  -8.707
  187   2HB   ASP  25          1HB       ASP  25  -4.568  -1.815  -8.355
  188    H    SER  26           H        SER  26  -2.943  -0.652  -4.871
  189    HA   SER  26           HA       SER  26  -5.385  -2.057  -4.027
  190   1HB   SER  26          2HB       SER  26  -3.025  -2.348  -2.291
  191   2HB   SER  26          1HB       SER  26  -4.147  -3.575  -2.878
  192    HG   SER  26           HG       SER  26  -2.624  -2.616  -4.898
  193    H    TYR  27           H        TYR  27  -6.295  -1.401  -2.050
  194    HA   TYR  27           HA       TYR  27  -5.543   1.327  -1.372
  195   1HB   TYR  27          2HB       TYR  27  -7.985  -0.287  -0.616
  196   2HB   TYR  27          1HB       TYR  27  -7.706   1.389  -0.161
  197    HD1  TYR  27           1HD      TYR  27  -6.350   1.316  -3.309
  198    HD2  TYR  27           2HD      TYR  27 -10.144   0.987  -1.408
  199    HE1  TYR  27           1HE      TYR  27  -7.456   2.016  -5.392
  200    HE2  TYR  27           2HE      TYR  27 -11.253   1.692  -3.481
  201    HH   TYR  27           HH       TYR  27 -10.946   1.945  -5.731
  202    H    TRP  28           H        TRP  28  -5.395   1.967   0.852
  203    HA   TRP  28           HA       TRP  28  -4.479  -0.153   2.670
  204   1HB   TRP  28          2HB       TRP  28  -2.926   2.273   1.734
  205   2HB   TRP  28          1HB       TRP  28  -2.488   1.353   3.164
  206    HD1  TRP  28           HD       TRP  28  -2.731   0.899  -0.677
  207    HE1  TRP  28           1HE      TRP  28  -0.992  -0.878  -1.379
  208    HE3  TRP  28           3HE      TRP  28  -1.129  -0.513   3.962
  209    HZ2  TRP  28           2HZ      TRP  28   0.806  -2.639  -0.107
  210    HZ3  TRP  28           3HZ      TRP  28   0.599  -2.254   4.136
  211    HH2  TRP  28           HH       TRP  28   1.546  -3.296   2.144
  212    H    HIS  29           H        HIS  29  -4.098   0.676   4.854
  213    HA   HIS  29           HA       HIS  29  -5.882   2.893   5.582
  214   1HB   HIS  29          2HB       HIS  29  -4.499   0.725   7.140
  215   2HB   HIS  29          1HB       HIS  29  -4.977   2.209   7.951
  216    HD2  HIS  29           2HD      HIS  29  -7.888   2.721   7.547
  217    HE1  HIS  29           1HE      HIS  29  -8.588  -1.456   7.620
  218    HE2  HIS  29           2HE      HIS  29  -9.643   0.838   7.923
  219    H    SER  30           H        SER  30  -4.925   4.617   6.952
  220    HA   SER  30           HA       SER  30  -2.570   5.649   5.831
  221   1HB   SER  30          2HB       SER  30  -3.171   6.625   8.537
  222   2HB   SER  30          1HB       SER  30  -3.081   7.510   7.014
  223    HG   SER  30           HG       SER  30  -5.195   7.564   7.775
  224    H    ARG  31           H        ARG  31  -3.137   4.116   8.984
  225    HA   ARG  31           HA       ARG  31  -0.357   4.164   9.693
  226   1HB   ARG  31          2HB       ARG  31  -2.144   4.289  11.376
  227   2HB   ARG  31          1HB       ARG  31  -2.677   2.673  10.937
  228   1HG   ARG  31          2HG       ARG  31   0.056   2.456  11.547
  229   2HG   ARG  31          1HG       ARG  31  -0.661   3.476  12.799
  230   1HD   ARG  31          2HD       ARG  31  -0.731   1.076  13.368
  231   2HD   ARG  31          1HD       ARG  31  -2.334   1.802  13.265
  232    HE   ARG  31           HE       ARG  31  -2.677   0.674  11.195
  233   1HH1  ARG  31          2HH1      ARG  31   0.242  -0.263  12.890
  234   2HH1  ARG  31          1HH1      ARG  31   0.438  -1.743  11.991
  235   1HH2  ARG  31          2HH2      ARG  31  -2.416  -1.254  10.009
  236   2HH2  ARG  31          1HH2      ARG  31  -1.082  -2.308  10.370
  237    H    CYS  32           H        CYS  32  -2.347   2.053   7.871
  238    HA   CYS  32           HA       CYS  32  -0.764  -0.313   8.298
  239   1HB   CYS  32          2HB       CYS  32  -3.039   0.392   6.471
  240   2HB   CYS  32          1HB       CYS  32  -2.117  -1.083   6.214
  241    H    LEU  33           H        LEU  33  -0.771   2.379   6.093
  242    HA   LEU  33           HA       LEU  33   1.124   1.119   4.295
  243   1HB   LEU  33          2HB       LEU  33  -0.680   3.053   3.848
  244   2HB   LEU  33          1HB       LEU  33   0.702   4.057   4.239
  245    HG   LEU  33           HG       LEU  33   0.076   3.070   1.743
  246   1HD1  LEU  33          1HD1      LEU  33   2.517   4.243   2.981
  247   2HD1  LEU  33          2HD1      LEU  33   2.559   3.712   1.299
  248   3HD1  LEU  33          3HD1      LEU  33   1.400   4.939   1.808
  249   1HD2  LEU  33          1HD2      LEU  33   1.965   1.561   1.184
  250   2HD2  LEU  33          2HD2      LEU  33   2.297   1.401   2.908
  251   3HD2  LEU  33          3HD2      LEU  33   0.767   0.827   2.250
  252    H    LYS  34           H        LYS  34   2.509   0.616   6.137
  253    HA   LYS  34           HA       LYS  34   4.229   2.882   6.902
  254   1HB   LYS  34          2HB       LYS  34   4.538   1.919   9.031
  255   2HB   LYS  34          1HB       LYS  34   2.822   1.715   8.710
  256   1HG   LYS  34          2HG       LYS  34   4.474  -0.539   7.839
  257   2HG   LYS  34          1HG       LYS  34   4.503  -0.243   9.577
  258   1HD   LYS  34          2HD       LYS  34   2.239  -0.650   9.816
  259   2HD   LYS  34          1HD       LYS  34   1.892  -0.283   8.124
  260   1HE   LYS  34          2HE       LYS  34   3.678  -2.479   8.176
  261   2HE   LYS  34          1HE       LYS  34   2.401  -2.811   9.344
  262   1HZ   LYS  34          1HZ       LYS  34   1.916  -3.609   7.074
  263   2HZ   LYS  34          2HZ       LYS  34   1.919  -2.005   6.529
  264   3HZ   LYS  34          3HZ       LYS  34   0.756  -2.514   7.653
  265    H    CYS  35           H        CYS  35   6.476   2.156   7.490
  266    HA   CYS  35           HA       CYS  35   7.646   0.709   5.340
  267   1HB   CYS  35          2HB       CYS  35   8.770   2.546   6.637
  268   2HB   CYS  35          1HB       CYS  35   8.895   1.436   8.000
  269    H    SER  36           H        SER  36   8.446  -1.359   5.296
  270    HA   SER  36           HA       SER  36   7.303  -3.261   7.116
  271   1HB   SER  36          2HB       SER  36   9.480  -3.811   5.096
  272   2HB   SER  36          1HB       SER  36   8.283  -4.936   5.736
  273    HG   SER  36           HG       SER  36   7.759  -2.683   4.075
  274    H    SER  37           H        SER  37  10.010  -1.292   7.211
  275    HA   SER  37           HA       SER  37  11.374  -3.101   9.088
  276   1HB   SER  37          2HB       SER  37  12.923  -0.801   8.180
  277   2HB   SER  37          1HB       SER  37  13.340  -2.514   8.166
  278    HG   SER  37           HG       SER  37  12.074  -0.965   6.203
  279    H    CYS  38           H        CYS  38  10.527   0.315   8.533
  280    HA   CYS  38           HA       CYS  38  11.274   1.062  11.214
  281   1HB   CYS  38          2HB       CYS  38   9.824   2.577   9.035
  282   2HB   CYS  38          1HB       CYS  38  10.330   3.278  10.566
  283    H    GLN  39           H        GLN  39   8.345   0.261   9.495
  284    HA   GLN  39           HA       GLN  39   6.191  -0.063  10.121
  285   1HB   GLN  39          2HB       GLN  39   7.189   0.050  12.972
  286   2HB   GLN  39          1HB       GLN  39   5.621  -0.537  12.438
  287   1HG   GLN  39          2HG       GLN  39   8.274  -1.767  11.731
  288   2HG   GLN  39          1HG       GLN  39   7.175  -2.350  12.979
  289   1HE2  GLN  39          1HE2      GLN  39   8.108  -3.837  10.765
  290   2HE2  GLN  39          2HE2      GLN  39   6.736  -4.239   9.782
  291    H    ALA  40           H        ALA  40   7.573   2.574   9.953
  292    HA   ALA  40           HA       ALA  40   5.747   4.244  11.488
  293   1HB   ALA  40          1HB       ALA  40   8.456   4.626  10.379
  294   2HB   ALA  40          2HB       ALA  40   7.372   6.011  10.275
  295   3HB   ALA  40          3HB       ALA  40   7.726   5.285  11.842
  296    H    GLN  41           H        GLN  41   4.233   5.345  10.518
  297    HA   GLN  41           HA       GLN  41   3.178   4.606   8.081
  298   1HB   GLN  41          2HB       GLN  41   1.873   5.755   9.791
  299   2HB   GLN  41          1HB       GLN  41   2.816   7.218   9.560
  300   1HG   GLN  41          2HG       GLN  41   1.938   7.486   7.333
  301   2HG   GLN  41          1HG       GLN  41   1.077   5.954   7.455
  302   1HE2  GLN  41          1HE2      GLN  41   0.289   6.418  10.233
  303   2HE2  GLN  41          2HE2      GLN  41  -0.965   7.616  10.179
  304    H    LEU  42           H        LEU  42   3.740   4.974   6.047
  305    HA   LEU  42           HA       LEU  42   5.933   6.678   5.407
  306   1HB   LEU  42          2HB       LEU  42   4.257   4.723   4.042
  307   2HB   LEU  42          1HB       LEU  42   4.672   6.080   3.014
  308    HG   LEU  42           HG       LEU  42   6.712   5.273   2.653
  309   1HD1  LEU  42          1HD1      LEU  42   7.124   4.647   5.566
  310   2HD1  LEU  42          2HD1      LEU  42   8.347   4.930   4.324
  311   3HD1  LEU  42          3HD1      LEU  42   7.332   6.261   4.882
  312   1HD2  LEU  42          1HD2      LEU  42   5.605   2.978   4.241
  313   2HD2  LEU  42          2HD2      LEU  42   5.706   3.157   2.488
  314   3HD2  LEU  42          3HD2      LEU  42   7.175   2.913   3.436
  315    H    GLY  43           H        GLY  43   2.476   7.000   5.342
  316   1HA   GLY  43          1HA       GLY  43   2.489   9.453   3.808
  317   2HA   GLY  43          2HA       GLY  43   1.104   8.730   4.613
  318    H    ASP  44           H        ASP  44   3.483   8.773   6.858
  319    HA   ASP  44           HA       ASP  44   2.368  11.122   8.158
  320   1HB   ASP  44          2HB       ASP  44   2.838   8.871   9.302
  321   2HB   ASP  44          1HB       ASP  44   4.536   9.327   9.243
  322    H    ILE  45           H        ILE  45   5.028  10.298   6.232
  323    HA   ILE  45           HA       ILE  45   6.547  12.650   7.137
  324    HB   ILE  45           HB       ILE  45   8.503  11.732   6.185
  325   1HG1  ILE  45          2HG1      ILE  45   6.813   9.568   4.900
  326   1HG2  ILE  45          1HG2      ILE  45   8.053   9.131   7.009
  327   2HG2  ILE  45          2HG2      ILE  45   8.586  10.475   8.020
  328   3HG2  ILE  45          3HG2      ILE  45   6.871  10.074   7.917
  329   1HD1  ILE  45          1HD1      ILE  45   9.344   9.202   5.535
  330   2HD1  ILE  45          2HD1      ILE  45   8.682   8.643   3.998
  331   3HD1  ILE  45          3HD1      ILE  45   9.598  10.148   4.068
  332    H    GLY  46           H        GLY  46   4.157  12.160   5.186
  333   1HA   GLY  46          1HA       GLY  46   3.587  13.917   3.580
  334   2HA   GLY  46          2HA       GLY  46   5.247  13.815   2.997
  335    H    THR  47           H        THR  47   4.695  13.286   0.875
  336    HA   THR  47           HA       THR  47   3.354  10.678   0.541
  337    HB   THR  47           HB       THR  47   3.769  11.796  -1.991
  338    HG1  THR  47           1HG      THR  47   4.182  13.806  -0.746
  339   1HG2  THR  47          1HG2      THR  47   1.346  11.715  -0.197
  340   2HG2  THR  47          2HG2      THR  47   1.795  10.570  -1.462
  341   3HG2  THR  47          3HG2      THR  47   1.280  12.202  -1.891
  342    H    SER  48           H        SER  48   5.007   9.211   0.784
  343    HA   SER  48           HA       SER  48   6.916   9.013  -1.335
  344   1HB   SER  48          2HB       SER  48   8.656   8.797   0.851
  345   2HB   SER  48          1HB       SER  48   8.630  10.092  -0.347
  346    HG   SER  48           HG       SER  48   6.756  10.336   1.660
  347    H    SER  49           H        SER  49   7.643   6.921  -1.588
  348    HA   SER  49           HA       SER  49   7.803   5.019   0.451
  349   1HB   SER  49          2HB       SER  49   5.892   3.525  -0.238
  350   2HB   SER  49          1HB       SER  49   5.401   5.006   0.580
  351    HG   SER  49           HG       SER  49   5.485   4.685  -2.237
  352    H    TYR  50           H        TYR  50   8.643   3.086  -0.234
  353    HA   TYR  50           HA       TYR  50   9.118   2.816  -3.133
  354   1HB   TYR  50          2HB       TYR  50  10.934   2.430  -0.801
  355   2HB   TYR  50          1HB       TYR  50  11.099   1.321  -2.157
  356    HD1  TYR  50           1HD      TYR  50  11.268   2.480  -4.522
  357    HD2  TYR  50           2HD      TYR  50  12.135   4.398  -0.828
  358    HE1  TYR  50           1HE      TYR  50  12.666   4.116  -5.708
  359    HE2  TYR  50           2HE      TYR  50  13.520   6.050  -2.003
  360    HH   TYR  50           HH       TYR  50  13.859   6.963  -4.187
  361    H    THR  51           H        THR  51   8.728   0.802  -4.022
  362    HA   THR  51           HA       THR  51   7.867  -1.325  -2.193
  363    HB   THR  51           HB       THR  51   6.277  -0.653  -4.668
  364    HG1  THR  51           1HG      THR  51   6.305   0.600  -2.260
  365   1HG2  THR  51          1HG2      THR  51   5.353  -2.181  -2.254
  366   2HG2  THR  51          2HG2      THR  51   6.257  -2.977  -3.542
  367   3HG2  THR  51          3HG2      THR  51   4.711  -2.207  -3.897
  368    H    LYS  52           H        LYS  52   9.445  -2.731  -2.584
  369    HA   LYS  52           HA       LYS  52   9.675  -3.806  -5.295
  370   1HB   LYS  52          2HB       LYS  52  11.896  -2.625  -3.660
  371   2HB   LYS  52          1HB       LYS  52  12.235  -3.956  -4.758
  372   1HG   LYS  52          2HG       LYS  52  10.690  -2.006  -6.137
  373   2HG   LYS  52          1HG       LYS  52  12.049  -1.208  -5.345
  374   1HD   LYS  52          2HD       LYS  52  13.189  -3.477  -6.390
  375   2HD   LYS  52          1HD       LYS  52  12.006  -3.026  -7.613
  376   1HE   LYS  52          2HE       LYS  52  13.672  -0.854  -6.514
  377   2HE   LYS  52          1HE       LYS  52  14.485  -2.032  -7.541
  378   1HZ   LYS  52          1HZ       LYS  52  13.724  -0.256  -8.897
  379   2HZ   LYS  52          2HZ       LYS  52  12.154  -0.335  -8.257
  380   3HZ   LYS  52          3HZ       LYS  52  12.739  -1.597  -9.233
  381    H    SER  53           H        SER  53   9.870  -5.986  -5.323
  382    HA   SER  53           HA       SER  53   9.945  -8.156  -4.580
  383   1HB   SER  53          2HB       SER  53  10.935  -7.087  -1.924
  384   2HB   SER  53          1HB       SER  53  11.040  -8.751  -2.507
  385    HG   SER  53           HG       SER  53  12.178  -7.000  -4.253
  386    H    GLY  54           H        GLY  54   7.873  -5.933  -3.887
  387   1HA   GLY  54          1HA       GLY  54   5.712  -6.026  -2.998
  388   2HA   GLY  54          2HA       GLY  54   6.081  -7.614  -2.328
  389    H    MET  55           H        MET  55   8.634  -5.745  -1.612
  390    HA   MET  55           HA       MET  55   7.771  -5.355   1.134
  391   1HB   MET  55          2HB       MET  55  10.322  -5.682  -0.267
  392   2HB   MET  55          1HB       MET  55  10.363  -4.417   0.953
  393   1HG   MET  55          2HG       MET  55  10.523  -5.911   2.566
  394   2HG   MET  55          1HG       MET  55   9.065  -6.733   2.013
  395   1HE   MET  55          1HE       MET  55  13.387  -7.394   1.157
  396   2HE   MET  55          2HE       MET  55  12.660  -7.024  -0.407
  397   3HE   MET  55          3HE       MET  55  12.487  -5.892   0.936
  398    H    ILE  56           H        ILE  56   7.031  -3.517   1.806
  399    HA   ILE  56           HA       ILE  56   7.451  -1.092   0.211
  400    HB   ILE  56           HB       ILE  56   5.507  -1.586   2.478
  401   1HG1  ILE  56          2HG1      ILE  56   4.097  -1.036   0.143
  402   1HG2  ILE  56          1HG2      ILE  56   6.246   0.769   2.272
  403   2HG2  ILE  56          2HG2      ILE  56   5.671   0.770   0.604
  404   3HG2  ILE  56          3HG2      ILE  56   4.531   0.547   1.931
  405   1HD1  ILE  56          1HD1      ILE  56   4.506  -3.884   0.637
  406   2HD1  ILE  56          2HD1      ILE  56   4.009  -2.956   2.051
  407   3HD1  ILE  56          3HD1      ILE  56   3.020  -2.935   0.589
  408    H    LEU  57           H        LEU  57   9.103   0.123   0.799
  409    HA   LEU  57           HA       LEU  57   9.770   0.297   3.664
  410   1HB   LEU  57          2HB       LEU  57  11.855   0.656   1.552
  411   2HB   LEU  57          1HB       LEU  57  12.049   0.192   3.230
  412    HG   LEU  57           HG       LEU  57  10.618  -1.710   1.449
  413   1HD1  LEU  57          1HD1      LEU  57  12.258  -1.836  -0.045
  414   2HD1  LEU  57          2HD1      LEU  57  13.255  -0.701   0.863
  415   3HD1  LEU  57          3HD1      LEU  57  13.303  -2.423   1.247
  416   1HD2  LEU  57          1HD2      LEU  57  10.784  -2.512   3.602
  417   2HD2  LEU  57          2HD2      LEU  57  12.210  -3.228   2.850
  418   3HD2  LEU  57          3HD2      LEU  57  12.374  -1.792   3.862
  419    H    CYS  58           H        CYS  58  11.325   2.231   3.983
  420    HA   CYS  58           HA       CYS  58   9.991   4.593   2.986
  421   1HB   CYS  58          2HB       CYS  58  11.603   5.771   4.519
  422   2HB   CYS  58          1HB       CYS  58  10.550   4.616   5.325
  423    H    ARG  59           H        ARG  59  11.686   6.452   2.488
  424    HA   ARG  59           HA       ARG  59  12.988   5.721   0.064
  425   1HB   ARG  59          2HB       ARG  59  12.213   7.922   0.078
  426   2HB   ARG  59          1HB       ARG  59  12.789   8.222   1.711
  427   1HG   ARG  59          2HG       ARG  59  14.376   9.395   0.644
  428   2HG   ARG  59          1HG       ARG  59  15.132   7.812   0.449
  429   1HD   ARG  59          2HD       ARG  59  15.013   9.177  -1.644
  430   2HD   ARG  59          1HD       ARG  59  14.264   7.584  -1.759
  431    HE   ARG  59           HE       ARG  59  12.101   8.875  -1.290
  432   1HH1  ARG  59          2HH1      ARG  59  14.829  10.173  -3.058
  433   2HH1  ARG  59          1HH1      ARG  59  13.850  11.208  -4.057
  434   1HH2  ARG  59          2HH2      ARG  59  10.830  10.273  -2.526
  435   2HH2  ARG  59          1HH2      ARG  59  11.576  11.302  -3.726
  436    H    ASN  60           H        ASN  60  14.007   6.347   3.351
  437    HA   ASN  60           HA       ASN  60  16.804   6.248   2.841
  438   1HB   ASN  60          2HB       ASN  60  16.580   7.272   4.842
  439   2HB   ASN  60          1HB       ASN  60  15.034   6.501   5.165
  440   1HD2  ASN  60          1HD2      ASN  60  14.942   4.794   6.498
  441   2HD2  ASN  60          2HD2      ASN  60  16.307   4.109   7.311
  442    H    ASP  61           H        ASP  61  14.468   3.840   4.044
  443    HA   ASP  61           HA       ASP  61  16.417   1.867   4.548
  444   1HB   ASP  61          2HB       ASP  61  13.481   1.977   4.529
  445   2HB   ASP  61          1HB       ASP  61  14.154   0.391   4.165
  446    H    TYR  62           H        TYR  62  14.675   2.704   1.640
  447    HA   TYR  62           HA       TYR  62  15.099   0.313   0.229
  448   1HB   TYR  62          2HB       TYR  62  13.561   1.976  -0.626
  449   2HB   TYR  62          1HB       TYR  62  14.864   3.148  -0.798
  450    HD1  TYR  62           1HD      TYR  62  16.424   3.011  -2.639
  451    HD2  TYR  62           2HD      TYR  62  13.329   0.121  -2.213
  452    HE1  TYR  62           1HE      TYR  62  16.839   2.242  -4.931
  453    HE2  TYR  62           2HE      TYR  62  13.729  -0.658  -4.517
  454    HH   TYR  62           HH       TYR  62  16.420  -0.083  -6.199
  455    H    ILE  63           H        ILE  63  17.127   3.186   0.626
  456    HA   ILE  63           HA       ILE  63  19.160   2.266  -1.167
  457    HB   ILE  63           HB       ILE  63  19.736   4.244   1.007
  458   1HG1  ILE  63          2HG1      ILE  63  17.487   4.789   0.046
  459   1HG2  ILE  63          1HG2      ILE  63  21.034   5.303  -0.835
  460   2HG2  ILE  63          2HG2      ILE  63  21.565   3.673  -0.423
  461   3HG2  ILE  63          3HG2      ILE  63  20.589   3.943  -1.865
  462   1HD1  ILE  63          1HD1      ILE  63  18.809   5.612  -2.488
  463   2HD1  ILE  63          2HD1      ILE  63  18.199   3.968  -2.318
  464   3HD1  ILE  63          3HD1      ILE  63  17.103   5.338  -2.140
  465    H    ARG  64           H        ARG  64  18.319   1.530   2.040
  466    HA   ARG  64           HA       ARG  64  20.984   0.608   2.765
  467   1HB   ARG  64          2HB       ARG  64  18.359   0.457   4.255
  468   2HB   ARG  64          1HB       ARG  64  19.913  -0.052   4.900
  469   1HG   ARG  64          2HG       ARG  64  20.596   2.419   4.304
  470   2HG   ARG  64          1HG       ARG  64  18.855   2.684   4.424
  471   1HD   ARG  64          2HD       ARG  64  19.289   2.982   6.610
  472   2HD   ARG  64          1HD       ARG  64  19.297   1.219   6.655
  473    HE   ARG  64           HE       ARG  64  21.764   1.389   6.354
  474   1HH1  ARG  64          2HH1      ARG  64  19.943   4.021   7.785
  475   2HH1  ARG  64          1HH1      ARG  64  21.309   4.667   8.644
  476   1HH2  ARG  64          2HH2      ARG  64  23.571   2.248   7.472
  477   2HH2  ARG  64          1HH2      ARG  64  23.376   3.685   8.439
  478    H    LEU  65           H        LEU  65  17.848  -0.676   1.839
  479    HA   LEU  65           HA       LEU  65  18.733  -3.404   2.237
  480   1HB   LEU  65          2HB       LEU  65  16.336  -2.225   2.532
  481   2HB   LEU  65          1HB       LEU  65  16.155  -2.840   0.901
  482    HG   LEU  65           HG       LEU  65  16.371  -5.085   1.598
  483   1HD1  LEU  65          1HD1      LEU  65  17.946  -3.956   3.709
  484   2HD1  LEU  65          2HD1      LEU  65  16.716  -5.025   4.382
  485   3HD1  LEU  65          3HD1      LEU  65  17.841  -5.631   3.166
  486   1HD2  LEU  65          1HD2      LEU  65  14.202  -4.108   2.101
  487   2HD2  LEU  65          2HD2      LEU  65  14.633  -5.322   3.307
  488   3HD2  LEU  65          3HD2      LEU  65  14.781  -3.606   3.691
  489    H    PHE  66           H        PHE  66  17.865  -1.322  -0.502
  490    HA   PHE  66           HA       PHE  66  18.737  -3.466  -2.325
  491   1HB   PHE  66          2HB       PHE  66  16.970  -1.056  -2.786
  492   2HB   PHE  66          1HB       PHE  66  17.550  -2.094  -4.081
  493    HD1  PHE  66           1HD      PHE  66  15.584  -2.158  -0.922
  494    HD2  PHE  66           2HD      PHE  66  16.364  -3.989  -4.683
  495    HE1  PHE  66           1HE      PHE  66  13.655  -3.648  -0.591
  496    HE2  PHE  66           2HE      PHE  66  14.440  -5.486  -4.355
  497    HZ   PHE  66           HZ       PHE  66  13.083  -5.316  -2.308
  498    H    GLY  67           H        GLY  67  19.034  -0.003  -1.664
  499   1HA   GLY  67          1HA       GLY  67  20.732   1.476  -2.089
  500   2HA   GLY  67          2HA       GLY  67  21.783   0.085  -2.314
  501    H    ASN  68           H        ASN  68  22.774   0.161  -4.178
  502    HA   ASN  68           HA       ASN  68  23.180   0.231  -6.402
  503   1HB   ASN  68          2HB       ASN  68  20.846  -0.844  -6.538
  504   2HB   ASN  68          1HB       ASN  68  20.277   0.761  -6.986
  505   1HD2  ASN  68          1HD2      ASN  68  20.595  -1.910  -8.394
  506   2HD2  ASN  68          2HD2      ASN  68  21.372  -1.497  -9.889
  507    H    SER  69           H        SER  69  20.615   2.616  -5.713
  508    HA   SER  69           HA       SER  69  22.296   4.609  -7.081
  509   1HB   SER  69          2HB       SER  69  19.306   4.775  -6.708
  510   2HB   SER  69          1HB       SER  69  20.317   5.695  -7.828
  511    HG   SER  69           HG       SER  69  20.820   3.519  -8.753
  512    H    GLY  70           H        GLY  70  23.122   6.159  -5.865
  513   1HA   GLY  70          1HA       GLY  70  21.744   6.850  -3.333
  514   2HA   GLY  70          2HA       GLY  70  23.497   6.837  -3.503
  515    H    ALA  71           H        ALA  71  22.649   7.894  -6.356
  516    HA   ALA  71           HA       ALA  71  22.603   9.861  -7.463
  517   1HB   ALA  71          1HB       ALA  71  20.962  11.320  -6.945
  518   2HB   ALA  71          2HB       ALA  71  20.494  10.040  -5.828
  519   3HB   ALA  71          3HB       ALA  71  21.428  11.419  -5.247
  520    H    GLY  72           H        GLY  72  24.886   9.872  -7.353
  521   1HA   GLY  72          1HA       GLY  72  26.665  11.462  -7.255
  522   2HA   GLY  72          2HA       GLY  72  25.917  12.168  -5.829
  523    H    GLY  73           H        GLY  73  26.189  11.210  -3.836
  524   1HA   GLY  73          1HA       GLY  73  28.201   9.048  -3.735
  525   2HA   GLY  73          2HA       GLY  73  28.019  10.262  -2.473
  526    H    SER  74           H        SER  74  27.850   7.407  -2.120
  527    HA   SER  74           HA       SER  74  25.001   7.155  -1.420
  528   1HB   SER  74          2HB       SER  74  26.460   4.641  -1.472
  529   2HB   SER  74          1HB       SER  74  24.979   5.096  -2.315
  530    HG   SER  74           HG       SER  74  26.335   6.182  -3.866
  531    H    GLY  75           H        GLY  75  28.244   6.081  -0.410
  532   1HA   GLY  75          1HA       GLY  75  27.438   5.237   2.170
  533   2HA   GLY  75          2HA       GLY  75  29.087   5.564   1.660
  534    H    GLY  76           H        GLY  76  29.056   8.216   1.087
  535   1HA   GLY  76          1HA       GLY  76  28.982   9.352   3.737
  536   2HA   GLY  76          2HA       GLY  76  29.507  10.159   2.268
  537    H    HIS  77           H        HIS  77  26.704   9.013   1.321
  538    HA   HIS  77           HA       HIS  77  25.311  11.507   1.804
  539   1HB   HIS  77          2HB       HIS  77  25.437   9.987  -0.382
  540   2HB   HIS  77          1HB       HIS  77  24.038   9.225   0.363
  541    HD1  HIS  77           1HD      HIS  77  23.108  10.308  -2.054
  542    HD2  HIS  77           2HD      HIS  77  23.744  12.851   1.177
  543    HE1  HIS  77           1HE      HIS  77  21.751  12.371  -2.533
  544    HE2  HIS  77           2HE      HIS  77  22.015  13.819  -0.485
  545    H    MET  78           H        MET  78  25.585   8.584   3.359
  546    HA   MET  78           HA       MET  78  24.447   7.504   4.997
  547   1HB   MET  78          2HB       MET  78  24.201  10.099   5.643
  548   2HB   MET  78          1HB       MET  78  22.505   9.720   5.382
  549   1HG   MET  78          2HG       MET  78  22.860   7.768   6.973
  550   2HG   MET  78          1HG       MET  78  24.389   8.543   7.397
  551   1HE   MET  78          1HE       MET  78  21.570   8.864  10.159
  552   2HE   MET  78          2HE       MET  78  20.529   8.615   8.757
  553   3HE   MET  78          3HE       MET  78  21.967   7.615   8.977
  554    H    GLY  79           H        GLY  79  23.685   7.162   2.308
  555   1HA   GLY  79          1HA       GLY  79  21.965   5.664   1.521
  556   2HA   GLY  79          2HA       GLY  79  20.844   6.461   2.619
  557    H    SER  80           H        SER  80  19.667   8.115   1.893
  558    HA   SER  80           HA       SER  80  20.391   9.270  -0.721
  559   1HB   SER  80          2HB       SER  80  17.743   9.734  -0.639
  560   2HB   SER  80          1HB       SER  80  18.426   8.256  -1.318
  561    HG   SER  80           HG       SER  80  17.605   7.150   0.277
  562    H    GLY  81           H        GLY  81  19.308   9.787   2.543
  563   1HA   GLY  81          1HA       GLY  81  19.867  11.832   3.691
  564   2HA   GLY  81          2HA       GLY  81  19.671  12.689   2.165
  565    H    GLY  82           H        GLY  82  17.319  10.342   2.555
  566   1HA   GLY  82          1HA       GLY  82  15.173  10.428   3.567
  567   2HA   GLY  82          2HA       GLY  82  15.433  12.130   3.912
  568    H    ASP  83           H        ASP  83  13.249  12.341   2.986
  569    HA   ASP  83           HA       ASP  83  13.143  12.088   0.074
  570   1HB   ASP  83          2HB       ASP  83  11.075  11.406   0.743
  571   2HB   ASP  83          1HB       ASP  83  11.144  12.328   2.242
  572    H    VAL  84           H        VAL  84  13.257  13.768  -1.283
  573    HA   VAL  84           HA       VAL  84  14.362  16.186  -0.333
  574    HB   VAL  84           HB       VAL  84  14.145  16.926  -2.751
  575   1HG1  VAL  84          1HG1      VAL  84  15.561  14.338  -2.123
  576   2HG1  VAL  84          2HG1      VAL  84  15.896  15.370  -3.513
  577   3HG1  VAL  84          3HG1      VAL  84  16.189  15.967  -1.880
  578   1HG2  VAL  84          1HG2      VAL  84  12.963  15.749  -4.230
  579   2HG2  VAL  84          2HG2      VAL  84  13.732  14.241  -3.740
  580   3HG2  VAL  84          3HG2      VAL  84  12.317  14.831  -2.871
  581    H    MET  85           H        MET  85  11.098  15.238  -0.850
  582    HA   MET  85           HA       MET  85  10.073  17.853  -1.418
  583   1HB   MET  85          2HB       MET  85   9.042  15.346  -1.631
  584   2HB   MET  85          1HB       MET  85   8.244  15.911  -0.169
  585   1HG   MET  85          2HG       MET  85   7.312  17.785  -1.330
  586   2HG   MET  85          1HG       MET  85   8.242  17.407  -2.778
  587   1HE   MET  85          1HE       MET  85   7.895  15.765  -4.345
  588   2HE   MET  85          2HE       MET  85   6.416  14.846  -4.626
  589   3HE   MET  85          3HE       MET  85   6.410  16.601  -4.802
  590    H    VAL  86           H        VAL  86  10.746  16.021   1.483
  591    HA   VAL  86           HA       VAL  86   9.324  17.810   3.221
  592    HB   VAL  86           HB       VAL  86  10.141  15.301   3.606
  593   1HG1  VAL  86          1HG1      VAL  86  12.024  15.219   5.176
  594   2HG1  VAL  86          2HG1      VAL  86  12.523  15.783   3.583
  595   3HG1  VAL  86          3HG1      VAL  86  12.321  16.935   4.903
  596   1HG2  VAL  86          1HG2      VAL  86   8.831  15.724   5.340
  597   2HG2  VAL  86          2HG2      VAL  86  10.239  16.359   6.192
  598   3HG2  VAL  86          3HG2      VAL  86   9.206  17.446   5.266
  599    H    VAL  87           H        VAL  87  12.481  17.668   1.821
  600    HA   VAL  87           HA       VAL  87  13.634  19.645   3.594
  601    HB   VAL  87           HB       VAL  87  14.737  18.702   0.943
  602   1HG1  VAL  87          1HG1      VAL  87  16.907  19.236   2.238
  603   2HG1  VAL  87          2HG1      VAL  87  15.960  20.566   1.575
  604   3HG1  VAL  87          3HG1      VAL  87  15.856  20.179   3.292
  605   1HG2  VAL  87          1HG2      VAL  87  16.087  17.442   3.069
  606   2HG2  VAL  87          2HG2      VAL  87  14.362  17.204   3.350
  607   3HG2  VAL  87          3HG2      VAL  87  15.085  16.695   1.824
  608    H    GLY  88           H        GLY  88  12.654  19.483   0.184
  609   1HA   GLY  88          1HA       GLY  88  11.288  21.469  -0.555
  610   2HA   GLY  88          2HA       GLY  88  12.572  22.436   0.162
  611    H    GLU  89           H        GLU  89  11.814  22.696  -2.490
  612    HA   GLU  89           HA       GLU  89  12.635  22.829  -4.597
  613   1HB   GLU  89          2HB       GLU  89  15.209  22.374  -3.088
  614   2HB   GLU  89          1HB       GLU  89  15.159  22.719  -4.811
  615   1HG   GLU  89          2HG       GLU  89  15.455  24.826  -4.063
  616   2HG   GLU  89          1HG       GLU  89  13.696  24.768  -3.959
  617    HA   PRO  90           HA       PRO  90  12.772  18.249  -5.151
  618   1HB   PRO  90          2HB       PRO  90  10.353  18.415  -6.675
  619   2HB   PRO  90          1HB       PRO  90  10.582  17.693  -5.081
  620   1HG   PRO  90          2HG       PRO  90   9.083  19.958  -5.586
  621   2HG   PRO  90          1HG       PRO  90   9.772  19.530  -4.011
  622   1HD   PRO  90          2HD       PRO  90  10.776  21.464  -6.060
  623   2HD   PRO  90          1HD       PRO  90  10.789  21.588  -4.287
  624    H    THR  91           H        THR  91  13.950  20.477  -6.699
  625    HA   THR  91           HA       THR  91  13.419  19.908  -9.474
  626    HB   THR  91           HB       THR  91  15.760  21.451  -9.244
  627    HG1  THR  91           1HG      THR  91  14.315  23.055  -7.745
  628   1HG2  THR  91          1HG2      THR  91  12.876  22.011  -9.828
  629   2HG2  THR  91          2HG2      THR  91  14.260  22.034 -10.920
  630   3HG2  THR  91          3HG2      THR  91  14.039  23.335  -9.751
  631    H    LEU  92           H        LEU  92  14.023  17.686  -9.590
  632    HA   LEU  92           HA       LEU  92  16.788  16.983  -9.043
  633   1HB   LEU  92          2HB       LEU  92  14.496  15.376 -10.171
  634   2HB   LEU  92          1HB       LEU  92  16.096  14.733  -9.857
  635    HG   LEU  92           HG       LEU  92  15.065  16.001  -7.487
  636   1HD1  LEU  92          1HD1      LEU  92  12.877  15.490  -8.476
  637   2HD1  LEU  92          2HD1      LEU  92  13.359  13.802  -8.645
  638   3HD1  LEU  92          3HD1      LEU  92  13.198  14.517  -7.041
  639   1HD2  LEU  92          1HD2      LEU  92  16.849  14.162  -7.894
  640   2HD2  LEU  92          2HD2      LEU  92  15.824  14.072  -6.461
  641   3HD2  LEU  92          3HD2      LEU  92  15.469  13.064  -7.865
  642    H    MET  93           H        MET  93  18.252  16.268 -10.628
  643    HA   MET  93           HA       MET  93  17.583  17.120 -13.370
  644   1HB   MET  93          2HB       MET  93  19.385  18.397 -11.775
  645   2HB   MET  93          1HB       MET  93  20.427  17.225 -12.571
  646   1HG   MET  93          2HG       MET  93  20.350  18.306 -14.520
  647   2HG   MET  93          1HG       MET  93  18.618  18.605 -14.392
  648   1HE   MET  93          1HE       MET  93  18.726  22.098 -14.640
  649   2HE   MET  93          2HE       MET  93  17.966  20.520 -14.859
  650   3HE   MET  93          3HE       MET  93  17.741  21.407 -13.351
  651    H    GLY  94           H        GLY  94  17.079  14.588 -12.602
  652   1HA   GLY  94          1HA       GLY  94  17.446  12.470 -13.496
  653   2HA   GLY  94          2HA       GLY  94  18.945  13.058 -14.207
  654    H    GLY  95           H        GLY  95  20.545  11.837 -13.469
  655   1HA   GLY  95          1HA       GLY  95  22.129  11.321 -11.807
  656   2HA   GLY  95          2HA       GLY  95  20.917  11.661 -10.578
  657    H    GLU  96           H        GLU  96  22.018   9.554  -9.859
  658    HA   GLU  96           HA       GLU  96  21.500   7.121 -11.137
  659   1HB   GLU  96          2HB       GLU  96  21.876   7.781  -8.219
  660   2HB   GLU  96          1HB       GLU  96  21.748   6.134  -8.824
  661   1HG   GLU  96          2HG       GLU  96  23.798   6.195  -9.830
  662   2HG   GLU  96          1HG       GLU  96  23.766   7.947 -10.044
  663    H    PHE  97           H        PHE  97  19.583   8.935  -8.786
  664    HA   PHE  97           HA       PHE  97  17.226   7.498  -9.690
  665   1HB   PHE  97          2HB       PHE  97  18.457   6.842  -7.239
  666   2HB   PHE  97          1HB       PHE  97  17.040   7.798  -6.828
  667    HD1  PHE  97           1HD      PHE  97  16.031   6.503  -9.762
  668    HD2  PHE  97           2HD      PHE  97  17.019   5.171  -5.844
  669    HE1  PHE  97           1HE      PHE  97  14.603   4.527 -10.078
  670    HE2  PHE  97           2HE      PHE  97  15.596   3.191  -6.156
  671    HZ   PHE  97           HZ       PHE  97  14.391   2.863  -8.276
  672    H    GLY  98           H        GLY  98  15.988   9.085 -10.388
  673   1HA   GLY  98          1HA       GLY  98  15.912  11.609  -8.860
  674   2HA   GLY  98          2HA       GLY  98  15.418  11.419 -10.540
  675    H    ASP  99           H        ASP  99  14.669   9.468  -7.706
  676    HA   ASP  99           HA       ASP  99  12.744   8.870  -6.676
  677   1HB   ASP  99          2HB       ASP  99  11.667  11.376  -7.986
  678   2HB   ASP  99          1HB       ASP  99  10.750  10.379  -6.863
  679    H    GLU 100           H        GLU 100  13.481   7.977  -9.367
  680    HA   GLU 100           HA       GLU 100  11.332   7.772 -11.106
  681   1HB   GLU 100          2HB       GLU 100  13.851   6.280 -10.681
  682   2HB   GLU 100          1HB       GLU 100  12.610   5.448 -11.605
  683   1HG   GLU 100          2HG       GLU 100  13.895   6.515 -13.211
  684   2HG   GLU 100          1HG       GLU 100  12.493   7.567 -13.023
  685    H    ASP 101           H        ASP 101  12.282   5.537  -8.512
  686    HA   ASP 101           HA       ASP 101   9.865   3.966  -9.006
  687   1HB   ASP 101          2HB       ASP 101  12.497   3.312  -8.246
  688   2HB   ASP 101          1HB       ASP 101  11.497   2.977  -6.837
  689    H    GLU 102           H        GLU 102  10.363   6.655  -7.441
  690    HA   GLU 102           HA       GLU 102   9.097   5.884  -4.919
  691   1HB   GLU 102          2HB       GLU 102  11.079   7.811  -5.628
  692   2HB   GLU 102          1HB       GLU 102   9.685   8.661  -4.973
  693   1HG   GLU 102          2HG       GLU 102  10.597   6.280  -3.494
  694   2HG   GLU 102          1HG       GLU 102  11.656   7.691  -3.462
  695    H    ARG 103           H        ARG 103   7.836   8.077  -4.134
  696    HA   ARG 103           HA       ARG 103   5.877   9.195  -4.205
  697   1HB   ARG 103          2HB       ARG 103   7.125   9.699  -6.780
  698   2HB   ARG 103          1HB       ARG 103   5.372   9.775  -6.885
  699   1HG   ARG 103          2HG       ARG 103   6.764  11.910  -6.317
  700   2HG   ARG 103          1HG       ARG 103   5.228  11.603  -5.510
  701   1HD   ARG 103          2HD       ARG 103   6.281  11.753  -3.560
  702   2HD   ARG 103          1HD       ARG 103   7.175  10.292  -3.977
  703    HE   ARG 103           HE       ARG 103   8.594  12.229  -5.213
  704   1HH1  ARG 103          2HH1      ARG 103   7.411  11.915  -1.913
  705   2HH1  ARG 103          1HH1      ARG 103   8.773  12.763  -1.228
  706   1HH2  ARG 103          2HH2      ARG 103  10.370  13.343  -4.270
  707   2HH2  ARG 103          1HH2      ARG 103  10.406  13.577  -2.543
  708    H    LEU 104           H        LEU 104   5.672   6.510  -4.111
  709    HA   LEU 104           HA       LEU 104   3.735   5.608  -6.061
  710   1HB   LEU 104          2HB       LEU 104   5.650   4.370  -4.470
  711   2HB   LEU 104          1HB       LEU 104   4.124   3.882  -3.757
  712    HG   LEU 104           HG       LEU 104   3.869   3.566  -6.561
  713   1HD1  LEU 104          1HD1      LEU 104   6.315   2.159  -5.508
  714   2HD1  LEU 104          2HD1      LEU 104   5.669   2.133  -7.147
  715   3HD1  LEU 104          3HD1      LEU 104   6.382   3.612  -6.505
  716   1HD2  LEU 104          1HD2      LEU 104   4.361   1.138  -5.053
  717   2HD2  LEU 104          2HD2      LEU 104   3.252   2.228  -4.221
  718   3HD2  LEU 104          3HD2      LEU 104   2.895   1.689  -5.861
  719    H    ILE 105           H        ILE 105   3.716   7.154  -3.031
  720    HA   ILE 105           HA       ILE 105   1.270   6.083  -2.026
  721    HB   ILE 105           HB       ILE 105   2.812   8.582  -1.325
  722   1HG1  ILE 105          2HG1      ILE 105   2.340   5.924   0.033
  723   1HG2  ILE 105          1HG2      ILE 105   1.279   9.064   0.430
  724   2HG2  ILE 105          2HG2      ILE 105   0.332   8.895  -1.048
  725   3HG2  ILE 105          3HG2      ILE 105   0.368   7.582   0.129
  726   1HD1  ILE 105          1HD1      ILE 105   2.664   8.386   1.349
  727   2HD1  ILE 105          2HD1      ILE 105   2.747   6.763   2.032
  728   3HD1  ILE 105          3HD1      ILE 105   4.210   7.543   1.440
  729    H    THR 106           H        THR 106  -0.685   6.451  -2.692
  730    HA   THR 106           HA       THR 106  -1.327   9.036  -3.942
  731    HB   THR 106           HB       THR 106  -2.562   6.325  -4.512
  732    HG1  THR 106           1HG      THR 106  -0.443   7.511  -5.556
  733   1HG2  THR 106          1HG2      THR 106  -3.231   8.742  -6.111
  734   2HG2  THR 106          2HG2      THR 106  -4.005   8.545  -4.541
  735   3HG2  THR 106          3HG2      THR 106  -4.195   7.303  -5.780
  736    H    ARG 107           H        ARG 107  -2.225  10.125  -2.226
  737    HA   ARG 107           HA       ARG 107  -4.144   8.589  -0.601
  738   1HB   ARG 107          2HB       ARG 107  -3.555  10.176   1.275
  739   2HB   ARG 107          1HB       ARG 107  -2.303   9.035   0.811
  740   1HG   ARG 107          2HG       ARG 107  -0.977  10.831   0.869
  741   2HG   ARG 107          1HG       ARG 107  -1.646  11.157  -0.730
  742   1HD   ARG 107          2HD       ARG 107  -1.642  13.080   0.944
  743   2HD   ARG 107          1HD       ARG 107  -3.150  12.747   0.095
  744    HE   ARG 107           HE       ARG 107  -4.134  12.130   2.088
  745   1HH1  ARG 107          2HH1      ARG 107  -0.673  12.535   2.552
  746   2HH1  ARG 107          1HH1      ARG 107  -0.771  12.450   4.284
  747   1HH2  ARG 107          2HH2      ARG 107  -4.264  12.048   4.358
  748   2HH2  ARG 107          1HH2      ARG 107  -2.803  12.112   5.313
  749    H    LEU 108           H        LEU 108  -6.136   9.210  -0.684
  750    HA   LEU 108           HA       LEU 108  -6.783  12.023  -0.723
  751   1HB   LEU 108          2HB       LEU 108  -7.147  10.312  -3.044
  752   2HB   LEU 108          1HB       LEU 108  -8.678  10.951  -2.479
  753    HG   LEU 108           HG       LEU 108  -8.183  12.670  -3.853
  754   1HD1  LEU 108          1HD1      LEU 108  -7.275  14.523  -2.765
  755   2HD1  LEU 108          2HD1      LEU 108  -7.870  13.506  -1.453
  756   3HD1  LEU 108          3HD1      LEU 108  -6.146  13.540  -1.830
  757   1HD2  LEU 108          1HD2      LEU 108  -5.909  11.246  -4.295
  758   2HD2  LEU 108          2HD2      LEU 108  -6.313  12.777  -5.076
  759   3HD2  LEU 108          3HD2      LEU 108  -5.264  12.759  -3.658
  760    H    GLU 109           H        GLU 109  -7.687  11.932   1.239
  761    HA   GLU 109           HA       GLU 109  -9.473   9.770   1.944
  762   1HB   GLU 109          2HB       GLU 109  -8.757  12.229   3.543
  763   2HB   GLU 109          1HB       GLU 109  -9.483  10.747   4.150
  764   1HG   GLU 109          2HG       GLU 109  -7.400  10.184   4.698
  765   2HG   GLU 109          1HG       GLU 109  -7.215   9.800   2.989
  766    H    ASN 110           H        ASN 110 -11.630  10.111   2.711
  767    HA   ASN 110           HA       ASN 110 -13.176  11.578   0.907
  768   1HB   ASN 110          2HB       ASN 110 -13.771   9.556   2.503
  769   2HB   ASN 110          1HB       ASN 110 -14.316  10.848   3.570
  770   1HD2  ASN 110          1HD2      ASN 110 -16.234   9.272   2.937
  771   2HD2  ASN 110          2HD2      ASN 110 -17.257   9.903   1.685
  772    H    THR 111           H        THR 111 -13.296  13.676   0.746
  773    HA   THR 111           HA       THR 111 -13.449  15.884   1.220
  774    HB   THR 111           HB       THR 111 -14.550  15.455   3.943
  775    HG1  THR 111           1HG      THR 111 -15.711  14.420   1.550
  776   1HG2  THR 111          1HG2      THR 111 -14.609  17.661   2.943
  777   2HG2  THR 111          2HG2      THR 111 -16.253  17.035   3.072
  778   3HG2  THR 111          3HG2      THR 111 -15.425  17.026   1.513
  779    H    GLN 112           H        GLN 112 -10.961  14.819   1.740
  780    HA   GLN 112           HA       GLN 112 -10.122  16.338   4.129
  781   1HB   GLN 112          2HB       GLN 112  -9.486  13.663   3.295
  782   2HB   GLN 112          1HB       GLN 112  -8.020  14.633   3.312
  783   1HG   GLN 112          2HG       GLN 112  -9.849  14.765   5.652
  784   2HG   GLN 112          1HG       GLN 112  -8.827  13.347   5.445
  785   1HE2  GLN 112          1HE2      GLN 112  -6.475  13.976   4.860
  786   2HE2  GLN 112          2HE2      GLN 112  -5.779  15.244   5.825
  787    H    PHE 113           H        PHE 113 -10.486  16.847   1.089
  788    HA   PHE 113           HA       PHE 113  -7.997  17.409  -0.070
  789   1HB   PHE 113          2HB       PHE 113 -10.787  18.426  -0.507
  790   2HB   PHE 113          1HB       PHE 113  -9.442  19.177  -1.356
  791    HD1  PHE 113           1HD      PHE 113  -8.359  18.086  -3.171
  792    HD2  PHE 113           2HD      PHE 113 -11.363  16.072  -0.925
  793    HE1  PHE 113           1HE      PHE 113  -8.472  16.340  -4.897
  794    HE2  PHE 113           2HE      PHE 113 -11.479  14.319  -2.650
  795    HZ   PHE 113           HZ       PHE 113 -10.031  14.452  -4.638
  796    H    ASP 114           H        ASP 114 -10.194  19.419   1.829
  797    HA   ASP 114           HA       ASP 114  -8.903  21.856   1.632
  798   1HB   ASP 114          2HB       ASP 114 -11.149  21.142   2.798
  799   2HB   ASP 114          1HB       ASP 114 -10.140  21.062   4.237
  800    H    ALA 115           H        ALA 115  -8.256  19.198   3.856
  801    HA   ALA 115           HA       ALA 115  -6.237  20.738   5.251
  802   1HB   ALA 115          1HB       ALA 115  -7.730  18.313   5.754
  803   2HB   ALA 115          2HB       ALA 115  -6.014  18.132   6.131
  804   3HB   ALA 115          3HB       ALA 115  -6.953  19.422   6.886
  805    H    ALA 116           H        ALA 116  -6.384  18.238   2.810
  806    HA   ALA 116           HA       ALA 116  -3.590  17.583   2.970
  807   1HB   ALA 116          1HB       ALA 116  -5.740  16.284   1.967
  808   2HB   ALA 116          2HB       ALA 116  -5.030  16.936   0.488
  809   3HB   ALA 116          3HB       ALA 116  -4.068  15.904   1.548
  810    H    ASN 117           H        ASN 117  -3.171  20.007   2.895
  811    HA   ASN 117           HA       ASN 117  -1.983  21.651   1.873
  812   1HB   ASN 117          2HB       ASN 117  -1.268  19.610   0.328
  813   2HB   ASN 117          1HB       ASN 117  -2.246  20.469  -0.856
  814   1HD2  ASN 117          1HD2      ASN 117   0.060  20.366  -1.771
  815   2HD2  ASN 117          2HD2      ASN 117   1.036  21.773  -1.469
  816    H    GLY 118           H        GLY 118  -5.114  20.831   1.243
  817   1HA   GLY 118          1HA       GLY 118  -6.930  22.152   0.701
  818   2HA   GLY 118          2HA       GLY 118  -5.829  23.507   0.472
  819    H    ILE 119           H        ILE 119  -4.598  23.563  -1.484
  820    HA   ILE 119           HA       ILE 119  -5.659  21.954  -3.689
  821    HB   ILE 119           HB       ILE 119  -4.709  24.721  -4.299
  822   1HG1  ILE 119          2HG1      ILE 119  -7.627  24.499  -4.004
  823   1HG2  ILE 119          1HG2      ILE 119  -6.871  23.041  -5.554
  824   2HG2  ILE 119          2HG2      ILE 119  -6.108  24.482  -6.224
  825   3HG2  ILE 119          3HG2      ILE 119  -5.176  22.997  -6.041
  826   1HD1  ILE 119          1HD1      ILE 119  -5.999  26.581  -2.663
  827   2HD1  ILE 119          2HD1      ILE 119  -6.080  26.576  -4.425
  828   3HD1  ILE 119          3HD1      ILE 119  -7.560  26.706  -3.476
  829    H    ASP 120           H        ASP 120  -3.993  20.622  -4.019
  830    HA   ASP 120           HA       ASP 120  -1.402  21.091  -3.142
  831   1HB   ASP 120          2HB       ASP 120  -2.589  18.876  -3.876
  832   2HB   ASP 120          1HB       ASP 120  -1.865  19.231  -5.444
  833    H    ASP 121           H        ASP 121  -2.754  21.497  -6.377
  834    HA   ASP 121           HA       ASP 121  -0.404  23.145  -7.022
  835   1HB   ASP 121          2HB       ASP 121  -0.122  21.109  -8.290
  836   2HB   ASP 121          1HB       ASP 121  -1.796  21.167  -8.839
  837    H    GLU 122           H        GLU 122  -3.472  22.271  -8.527
  838    HA   GLU 122           HA       GLU 122  -4.832  24.647  -7.977
  839   1HB   GLU 122          2HB       GLU 122  -3.114  25.523  -9.632
  840   2HB   GLU 122          1HB       GLU 122  -3.860  24.487 -10.840
  841   1HG   GLU 122          2HG       GLU 122  -5.018  26.352 -11.304
  842   2HG   GLU 122          1HG       GLU 122  -6.034  25.778  -9.985
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -20.336 -10.702  -7.498
    2   2H    GLY   1          2H        GLY   1 -21.014 -11.866  -6.466
    3   3H    GLY   1          3H        GLY   1 -19.598 -11.054  -6.013
    4   1HA   GLY   1          2HA       GLY   1 -22.290 -10.305  -5.593
    5   2HA   GLY   1          1HA       GLY   1 -20.825  -9.580  -4.943
    6    H    SER   2           H        SER   2 -22.037  -7.555  -5.192
    7    HA   SER   2           HA       SER   2 -22.699  -6.600  -7.801
    8   1HB   SER   2          2HB       SER   2 -22.281  -4.416  -6.026
    9   2HB   SER   2          1HB       SER   2 -23.815  -5.113  -6.549
   10    HG   SER   2           HG       SER   2 -23.961  -6.236  -4.734
   11    H    LEU   3           H        LEU   3 -20.136  -5.662  -5.506
   12    HA   LEU   3           HA       LEU   3 -18.352  -5.244  -7.780
   13   1HB   LEU   3          2HB       LEU   3 -17.492  -3.179  -6.431
   14   2HB   LEU   3          1HB       LEU   3 -18.862  -3.018  -7.514
   15    HG   LEU   3           HG       LEU   3 -19.900  -3.717  -4.970
   16   1HD1  LEU   3          1HD1      LEU   3 -19.016  -2.203  -3.455
   17   2HD1  LEU   3          2HD1      LEU   3 -17.584  -2.839  -4.267
   18   3HD1  LEU   3          3HD1      LEU   3 -18.219  -1.255  -4.713
   19   1HD2  LEU   3          1HD2      LEU   3 -21.342  -2.079  -5.479
   20   2HD2  LEU   3          2HD2      LEU   3 -20.057  -0.906  -5.774
   21   3HD2  LEU   3          3HD2      LEU   3 -20.512  -2.051  -7.036
   22    H    SER   4           H        SER   4 -16.412  -6.140  -7.428
   23    HA   SER   4           HA       SER   4 -15.838  -7.282  -4.833
   24   1HB   SER   4          2HB       SER   4 -13.800  -7.290  -7.006
   25   2HB   SER   4          1HB       SER   4 -14.269  -8.582  -5.903
   26    HG   SER   4           HG       SER   4 -15.229  -7.959  -8.404
   27    H    TRP   5           H        TRP   5 -14.996  -6.073  -3.291
   28    HA   TRP   5           HA       TRP   5 -13.819  -3.559  -3.887
   29   1HB   TRP   5          2HB       TRP   5 -15.043  -4.698  -1.673
   30   2HB   TRP   5          1HB       TRP   5 -13.373  -4.453  -1.164
   31    HD1  TRP   5           HD       TRP   5 -15.793  -2.260  -3.249
   32    HE1  TRP   5           1HE      TRP   5 -15.750   0.128  -2.260
   33    HE3  TRP   5           3HE      TRP   5 -12.544  -3.058   0.605
   34    HZ2  TRP   5           2HZ      TRP   5 -14.492   1.473  -0.118
   35    HZ3  TRP   5           3HZ      TRP   5 -11.975  -1.180   2.085
   36    HH2  TRP   5           HH       TRP   5 -12.923   1.041   1.729
   37    H    LYS   6           H        LYS   6 -11.768  -2.810  -3.385
   38    HA   LYS   6           HA       LYS   6  -9.674  -4.611  -4.010
   39   1HB   LYS   6          2HB       LYS   6  -8.388  -2.365  -3.133
   40   2HB   LYS   6          1HB       LYS   6  -8.941  -2.630  -4.782
   41   1HG   LYS   6          2HG       LYS   6 -11.017  -1.565  -3.035
   42   2HG   LYS   6          1HG       LYS   6  -9.609  -0.511  -3.180
   43   1HD   LYS   6          2HD       LYS   6  -9.904  -0.208  -5.450
   44   2HD   LYS   6          1HD       LYS   6 -10.796  -1.719  -5.641
   45   1HE   LYS   6          2HE       LYS   6 -12.782  -0.785  -5.032
   46   2HE   LYS   6          1HE       LYS   6 -12.021   0.363  -3.927
   47   1HZ   LYS   6          1HZ       LYS   6 -13.052   1.330  -5.993
   48   2HZ   LYS   6          2HZ       LYS   6 -11.805   0.600  -6.876
   49   3HZ   LYS   6          3HZ       LYS   6 -11.440   1.772  -5.703
   50    H    ARG   7           H        ARG   7 -10.662  -2.929  -1.161
   51    HA   ARG   7           HA       ARG   7 -10.355  -3.266   1.064
   52   1HB   ARG   7          2HB       ARG   7 -11.080  -5.424   1.096
   53   2HB   ARG   7          1HB       ARG   7  -9.963  -5.936  -0.157
   54   1HG   ARG   7          2HG       ARG   7  -8.603  -5.294   2.322
   55   2HG   ARG   7          1HG       ARG   7  -9.831  -6.546   2.525
   56   1HD   ARG   7          2HD       ARG   7  -8.654  -8.056   1.354
   57   2HD   ARG   7          1HD       ARG   7  -8.184  -6.871   0.131
   58    HE   ARG   7           HE       ARG   7  -6.686  -6.160   2.261
   59   1HH1  ARG   7          2HH1      ARG   7  -7.216  -9.251   0.681
   60   2HH1  ARG   7          1HH1      ARG   7  -5.585  -9.807   0.930
   61   1HH2  ARG   7          2HH2      ARG   7  -4.579  -6.918   2.663
   62   2HH2  ARG   7          1HH2      ARG   7  -4.085  -8.487   2.095
   63    H    CYS   8           H        CYS   8  -8.692  -3.360   2.771
   64    HA   CYS   8           HA       CYS   8  -6.373  -2.027   1.927
   65   1HB   CYS   8          2HB       CYS   8  -7.401  -1.678   4.135
   66   2HB   CYS   8          1HB       CYS   8  -6.920  -3.303   4.608
   67    H    ALA   9           H        ALA   9  -4.564  -2.760   1.152
   68    HA   ALA   9           HA       ALA   9  -3.854  -5.580   1.381
   69   1HB   ALA   9          1HB       ALA   9  -2.398  -5.246  -0.352
   70   2HB   ALA   9          2HB       ALA   9  -3.572  -3.973  -0.692
   71   3HB   ALA   9          3HB       ALA   9  -2.051  -3.580   0.113
   72    H    GLY  10           H        GLY  10  -3.511  -2.844   3.211
   73   1HA   GLY  10          1HA       GLY  10  -0.800  -3.168   4.098
   74   2HA   GLY  10          2HA       GLY  10  -2.034  -2.165   4.847
   75    H    CYS  11           H        CYS  11  -3.973  -4.048   5.419
   76    HA   CYS  11           HA       CYS  11  -2.548  -5.816   7.288
   77   1HB   CYS  11          2HB       CYS  11  -4.706  -5.749   8.638
   78   2HB   CYS  11          1HB       CYS  11  -3.754  -4.271   8.630
   79    H    GLY  12           H        GLY  12  -5.956  -5.849   6.538
   80   1HA   GLY  12          1HA       GLY  12  -6.149  -7.609   4.452
   81   2HA   GLY  12          2HA       GLY  12  -5.878  -8.642   5.852
   82    H    GLY  13           H        GLY  13  -7.922  -5.935   4.787
   83   1HA   GLY  13          1HA       GLY  13 -10.346  -7.193   5.347
   84   2HA   GLY  13          2HA       GLY  13  -9.873  -6.223   6.740
   85    H    LYS  14           H        LYS  14 -12.009  -5.981   4.677
   86    HA   LYS  14           HA       LYS  14 -11.537  -3.833   2.962
   87   1HB   LYS  14          2HB       LYS  14 -14.165  -4.451   4.323
   88   2HB   LYS  14          1HB       LYS  14 -13.942  -3.562   2.823
   89   1HG   LYS  14          2HG       LYS  14 -13.217  -5.538   1.684
   90   2HG   LYS  14          1HG       LYS  14 -13.196  -6.454   3.193
   91   1HD   LYS  14          2HD       LYS  14 -15.744  -5.139   2.449
   92   2HD   LYS  14          1HD       LYS  14 -15.247  -6.529   1.481
   93   1HE   LYS  14          2HE       LYS  14 -15.591  -7.992   3.169
   94   2HE   LYS  14          1HE       LYS  14 -15.017  -6.866   4.400
   95   1HZ   LYS  14          1HZ       LYS  14 -17.682  -6.795   3.082
   96   2HZ   LYS  14          2HZ       LYS  14 -17.133  -5.693   4.251
   97   3HZ   LYS  14          3HZ       LYS  14 -17.369  -7.318   4.665
   98    H    ILE  15           H        ILE  15 -11.101  -1.789   3.354
   99    HA   ILE  15           HA       ILE  15 -10.948  -0.756   5.968
  100    HB   ILE  15           HB       ILE  15 -11.005   1.042   3.577
  101   1HG1  ILE  15          2HG1      ILE  15  -8.720  -0.810   4.314
  102   1HG2  ILE  15          1HG2      ILE  15 -10.006   2.486   4.945
  103   2HG2  ILE  15          2HG2      ILE  15 -10.370   1.365   6.256
  104   3HG2  ILE  15          3HG2      ILE  15  -8.806   1.295   5.445
  105   1HD1  ILE  15          1HD1      ILE  15  -8.783   0.869   1.860
  106   2HD1  ILE  15          2HD1      ILE  15  -8.229   1.564   3.383
  107   3HD1  ILE  15          3HD1      ILE  15  -7.409   0.156   2.707
  108    H    ALA  16           H        ALA  16 -12.559  -0.087   7.195
  109    HA   ALA  16           HA       ALA  16 -15.063   0.796   5.959
  110   1HB   ALA  16          1HB       ALA  16 -14.310  -0.376   8.554
  111   2HB   ALA  16          2HB       ALA  16 -15.588   0.839   8.603
  112   3HB   ALA  16          3HB       ALA  16 -15.770  -0.591   7.588
  113    H    ASP  17           H        ASP  17 -12.484   2.335   6.177
  114    HA   ASP  17           HA       ASP  17 -13.405   4.661   7.710
  115   1HB   ASP  17          2HB       ASP  17 -10.751   3.635   6.881
  116   2HB   ASP  17          1HB       ASP  17 -10.948   5.383   6.827
  117    H    ARG  18           H        ARG  18 -13.578   6.688   6.700
  118    HA   ARG  18           HA       ARG  18 -14.110   6.506   3.831
  119   1HB   ARG  18          2HB       ARG  18 -15.015   8.861   4.172
  120   2HB   ARG  18          1HB       ARG  18 -15.887   7.557   4.962
  121   1HG   ARG  18          2HG       ARG  18 -13.981   8.445   6.815
  122   2HG   ARG  18          1HG       ARG  18 -14.691   9.894   6.098
  123   1HD   ARG  18          2HD       ARG  18 -16.138   9.466   7.848
  124   2HD   ARG  18          1HD       ARG  18 -16.946   8.664   6.501
  125    HE   ARG  18           HE       ARG  18 -15.201   7.162   8.334
  126   1HH1  ARG  18          2HH1      ARG  18 -18.350   7.694   6.876
  127   2HH1  ARG  18          1HH1      ARG  18 -18.993   6.170   7.422
  128   1HH2  ARG  18          2HH2      ARG  18 -16.041   5.160   9.025
  129   2HH2  ARG  18          1HH2      ARG  18 -17.673   4.724   8.617
  130    H    PHE  19           H        PHE  19 -11.510   6.990   5.608
  131    HA   PHE  19           HA       PHE  19 -10.301   8.794   3.624
  132   1HB   PHE  19          2HB       PHE  19  -9.023   8.587   6.303
  133   2HB   PHE  19          1HB       PHE  19  -9.064   9.943   5.185
  134    HD1  PHE  19           1HD      PHE  19 -10.155   8.773   8.264
  135    HD2  PHE  19           2HD      PHE  19 -11.497  10.998   4.902
  136    HE1  PHE  19           1HE      PHE  19 -11.854   9.859   9.669
  137    HE2  PHE  19           2HE      PHE  19 -13.213  12.083   6.294
  138    HZ   PHE  19           HZ       PHE  19 -13.388  11.516   8.683
  139    H    LEU  20           H        LEU  20  -9.683   6.976   2.380
  140    HA   LEU  20           HA       LEU  20  -7.899   5.064   3.709
  141   1HB   LEU  20          2HB       LEU  20  -8.545   4.374   0.980
  142   2HB   LEU  20          1HB       LEU  20  -8.748   3.438   2.445
  143    HG   LEU  20           HG       LEU  20 -10.892   4.902   2.769
  144   1HD1  LEU  20          1HD1      LEU  20 -11.294   4.936  -0.093
  145   2HD1  LEU  20          2HD1      LEU  20 -11.551   6.217   1.093
  146   3HD1  LEU  20          3HD1      LEU  20  -9.955   5.986   0.376
  147   1HD2  LEU  20          1HD2      LEU  20 -10.523   2.643   0.816
  148   2HD2  LEU  20          2HD2      LEU  20 -11.082   2.568   2.489
  149   3HD2  LEU  20          3HD2      LEU  20 -12.117   3.271   1.245
  150    H    LEU  21           H        LEU  21  -6.064   4.297   2.584
  151    HA   LEU  21           HA       LEU  21  -4.789   6.319   0.869
  152   1HB   LEU  21          2HB       LEU  21  -3.803   4.980   3.058
  153   2HB   LEU  21          1HB       LEU  21  -3.234   3.976   1.739
  154    HG   LEU  21           HG       LEU  21  -2.755   6.922   1.617
  155   1HD1  LEU  21          1HD1      LEU  21  -0.825   5.115   3.014
  156   2HD1  LEU  21          2HD1      LEU  21  -0.910   6.877   3.016
  157   3HD1  LEU  21          3HD1      LEU  21  -2.105   5.936   3.910
  158   1HD2  LEU  21          1HD2      LEU  21  -1.206   6.382   0.057
  159   2HD2  LEU  21          2HD2      LEU  21  -0.738   4.893   0.881
  160   3HD2  LEU  21          3HD2      LEU  21  -2.203   4.933  -0.100
  161    H    TYR  22           H        TYR  22  -3.828   5.562  -1.103
  162    HA   TYR  22           HA       TYR  22  -4.820   2.958  -2.038
  163   1HB   TYR  22          2HB       TYR  22  -4.642   5.248  -3.958
  164   2HB   TYR  22          1HB       TYR  22  -5.644   3.810  -4.034
  165    HD1  TYR  22           1HD      TYR  22  -7.795   3.735  -2.957
  166    HD2  TYR  22           2HD      TYR  22  -5.357   7.209  -2.638
  167    HE1  TYR  22           1HE      TYR  22  -9.737   5.025  -2.174
  168    HE2  TYR  22           2HE      TYR  22  -7.289   8.496  -1.851
  169    HH   TYR  22           HH       TYR  22 -10.512   7.022  -1.590
  170    H    ALA  23           H        ALA  23  -3.235   1.709  -2.867
  171    HA   ALA  23           HA       ALA  23  -0.951   2.948  -4.142
  172   1HB   ALA  23          1HB       ALA  23   0.636   1.650  -2.628
  173   2HB   ALA  23          2HB       ALA  23  -0.112   3.094  -1.949
  174   3HB   ALA  23          3HB       ALA  23  -0.726   1.498  -1.520
  175    H    MET  24           H        MET  24  -0.591   1.820  -5.898
  176    HA   MET  24           HA       MET  24  -0.460   0.141  -7.408
  177   1HB   MET  24          2HB       MET  24   0.444  -1.053  -4.887
  178   2HB   MET  24          1HB       MET  24  -0.134  -2.228  -6.061
  179   1HG   MET  24          2HG       MET  24   1.412  -0.885  -7.699
  180   2HG   MET  24          1HG       MET  24   2.205  -0.395  -6.201
  181   1HE   MET  24          1HE       MET  24   2.291  -2.585  -9.006
  182   2HE   MET  24          2HE       MET  24   2.753  -4.204  -8.481
  183   3HE   MET  24          3HE       MET  24   1.083  -3.661  -8.306
  184    H    ASP  25           H        ASP  25  -2.942   0.881  -7.066
  185    HA   ASP  25           HA       ASP  25  -5.050   0.279  -7.649
  186   1HB   ASP  25          2HB       ASP  25  -3.613  -2.220  -8.108
  187   2HB   ASP  25          1HB       ASP  25  -5.302  -2.463  -7.673
  188    H    SER  26           H        SER  26  -3.619  -1.681  -5.080
  189    HA   SER  26           HA       SER  26  -6.169  -2.154  -3.830
  190   1HB   SER  26          2HB       SER  26  -3.862  -2.585  -2.115
  191   2HB   SER  26          1HB       SER  26  -5.040  -3.751  -2.720
  192    HG   SER  26           HG       SER  26  -3.818  -4.117  -4.483
  193    H    TYR  27           H        TYR  27  -6.669  -1.460  -1.667
  194    HA   TYR  27           HA       TYR  27  -5.758   1.289  -1.225
  195   1HB   TYR  27          2HB       TYR  27  -8.249  -0.162  -0.318
  196   2HB   TYR  27          1HB       TYR  27  -7.808   1.452   0.224
  197    HD1  TYR  27           1HD      TYR  27  -6.726   1.159  -3.100
  198    HD2  TYR  27           2HD      TYR  27 -10.269   1.666  -0.783
  199    HE1  TYR  27           1HE      TYR  27  -7.872   2.099  -5.061
  200    HE2  TYR  27           2HE      TYR  27 -11.416   2.607  -2.742
  201    HH   TYR  27           HH       TYR  27  -9.960   3.779  -5.355
  202    H    TRP  28           H        TRP  28  -5.391   1.942   0.986
  203    HA   TRP  28           HA       TRP  28  -4.513  -0.250   2.745
  204   1HB   TRP  28          2HB       TRP  28  -2.890   2.186   1.947
  205   2HB   TRP  28          1HB       TRP  28  -2.435   1.055   3.211
  206    HD1  TRP  28           HD       TRP  28  -3.279   0.756  -0.588
  207    HE1  TRP  28           1HE      TRP  28  -1.567  -0.852  -1.639
  208    HE3  TRP  28           3HE      TRP  28  -0.587  -0.413   3.596
  209    HZ2  TRP  28           2HZ      TRP  28   0.633  -2.403  -0.807
  210    HZ3  TRP  28           3HZ      TRP  28   1.313  -1.964   3.377
  211    HH2  TRP  28           HH       TRP  28   1.906  -2.940   1.223
  212    H    HIS  29           H        HIS  29  -4.058   0.520   4.950
  213    HA   HIS  29           HA       HIS  29  -5.841   2.681   5.789
  214   1HB   HIS  29          2HB       HIS  29  -4.198   0.621   7.238
  215   2HB   HIS  29          1HB       HIS  29  -4.677   2.089   8.079
  216    HD2  HIS  29           2HD      HIS  29  -7.555   2.417   8.258
  217    HE1  HIS  29           1HE      HIS  29  -8.160  -1.763   7.884
  218    HE2  HIS  29           2HE      HIS  29  -9.266   0.461   8.439
  219    H    SER  30           H        SER  30  -4.929   4.530   6.947
  220    HA   SER  30           HA       SER  30  -2.694   5.625   5.650
  221   1HB   SER  30          2HB       SER  30  -3.052   6.987   8.091
  222   2HB   SER  30          1HB       SER  30  -3.689   7.438   6.512
  223    HG   SER  30           HG       SER  30  -5.565   7.096   7.412
  224    H    ARG  31           H        ARG  31  -3.037   3.702   8.523
  225    HA   ARG  31           HA       ARG  31  -0.212   4.085   9.211
  226   1HB   ARG  31          2HB       ARG  31  -2.173   4.175  10.913
  227   2HB   ARG  31          1HB       ARG  31  -2.146   2.422  10.794
  228   1HG   ARG  31          2HG       ARG  31  -0.615   2.453  12.396
  229   2HG   ARG  31          1HG       ARG  31   0.503   3.110  11.199
  230   1HD   ARG  31          2HD       ARG  31  -1.189   5.185  12.245
  231   2HD   ARG  31          1HD       ARG  31  -0.384   4.326  13.558
  232    HE   ARG  31           HE       ARG  31   0.936   5.787  11.369
  233   1HH1  ARG  31          2HH1      ARG  31   1.114   4.085  14.420
  234   2HH1  ARG  31          1HH1      ARG  31   2.705   4.673  14.809
  235   1HH2  ARG  31          2HH2      ARG  31   3.016   6.580  11.869
  236   2HH2  ARG  31          1HH2      ARG  31   3.793   6.109  13.351
  237    H    CYS  32           H        CYS  32  -1.886   2.161   7.173
  238    HA   CYS  32           HA       CYS  32  -0.517  -0.313   7.895
  239   1HB   CYS  32          2HB       CYS  32  -2.834   0.364   6.155
  240   2HB   CYS  32          1HB       CYS  32  -1.866  -1.037   5.703
  241    H    LEU  33           H        LEU  33  -0.422   2.238   5.513
  242    HA   LEU  33           HA       LEU  33   1.539   0.836   3.887
  243   1HB   LEU  33          2HB       LEU  33  -0.073   2.392   2.830
  244   2HB   LEU  33          1HB       LEU  33   0.637   3.715   3.736
  245    HG   LEU  33           HG       LEU  33   2.849   3.055   2.576
  246   1HD1  LEU  33          1HD1      LEU  33   1.085   1.128   1.447
  247   2HD1  LEU  33          2HD1      LEU  33   1.647   2.208   0.172
  248   3HD1  LEU  33          3HD1      LEU  33   2.813   1.347   1.175
  249   1HD2  LEU  33          1HD2      LEU  33   1.179   5.015   2.119
  250   2HD2  LEU  33          2HD2      LEU  33   2.494   4.673   0.995
  251   3HD2  LEU  33          3HD2      LEU  33   0.861   4.116   0.634
  252    H    LYS  34           H        LYS  34   3.051   0.453   5.550
  253    HA   LYS  34           HA       LYS  34   4.692   2.803   6.210
  254   1HB   LYS  34          2HB       LYS  34   4.896   2.157   8.469
  255   2HB   LYS  34          1HB       LYS  34   3.183   1.996   8.105
  256   1HG   LYS  34          2HG       LYS  34   4.630  -0.464   7.603
  257   2HG   LYS  34          1HG       LYS  34   4.817   0.093   9.267
  258   1HD   LYS  34          2HD       LYS  34   2.650  -0.271   9.772
  259   2HD   LYS  34          1HD       LYS  34   2.084   0.228   8.178
  260   1HE   LYS  34          2HE       LYS  34   2.117  -1.870   7.376
  261   2HE   LYS  34          1HE       LYS  34   3.634  -2.258   8.189
  262   1HZ   LYS  34          1HZ       LYS  34   2.360  -3.519   9.493
  263   2HZ   LYS  34          2HZ       LYS  34   0.922  -2.754   9.019
  264   3HZ   LYS  34          3HZ       LYS  34   1.884  -2.072  10.237
  265    H    CYS  35           H        CYS  35   6.856   2.133   7.076
  266    HA   CYS  35           HA       CYS  35   8.203   0.478   5.222
  267   1HB   CYS  35          2HB       CYS  35   9.191   2.426   6.442
  268   2HB   CYS  35          1HB       CYS  35   9.157   1.470   7.919
  269    H    SER  36           H        SER  36   9.108  -1.553   5.489
  270    HA   SER  36           HA       SER  36   7.730  -3.339   7.257
  271   1HB   SER  36          2HB       SER  36  10.144  -4.415   6.013
  272   2HB   SER  36          1HB       SER  36   8.468  -4.930   5.840
  273    HG   SER  36           HG       SER  36   9.675  -3.964   3.939
  274    H    SER  37           H        SER  37  10.517  -1.396   7.473
  275    HA   SER  37           HA       SER  37  11.501  -2.968   9.755
  276   1HB   SER  37          2HB       SER  37  13.134  -0.805   8.503
  277   2HB   SER  37          1HB       SER  37  13.654  -2.313   9.253
  278    HG   SER  37           HG       SER  37  12.464  -3.291   7.342
  279    H    CYS  38           H        CYS  38  10.745   0.345   8.690
  280    HA   CYS  38           HA       CYS  38  11.204   1.443  11.312
  281   1HB   CYS  38          2HB       CYS  38   9.872   2.595   8.858
  282   2HB   CYS  38          1HB       CYS  38  10.104   3.488  10.354
  283    H    GLN  39           H        GLN  39   8.333   0.815   9.328
  284    HA   GLN  39           HA       GLN  39   6.146   0.492   9.832
  285   1HB   GLN  39          2HB       GLN  39   7.527  -0.469  12.236
  286   2HB   GLN  39          1HB       GLN  39   5.869   0.044  12.516
  287   1HG   GLN  39          2HG       GLN  39   5.390  -2.069  11.951
  288   2HG   GLN  39          1HG       GLN  39   5.536  -1.453  10.306
  289   1HE2  GLN  39          1HE2      GLN  39   8.463  -1.547  12.031
  290   2HE2  GLN  39          2HE2      GLN  39   9.103  -2.997  11.339
  291    H    ALA  40           H        ALA  40   7.410   3.098   9.986
  292    HA   ALA  40           HA       ALA  40   5.824   4.461  12.028
  293   1HB   ALA  40          1HB       ALA  40   7.614   5.758  12.246
  294   2HB   ALA  40          2HB       ALA  40   8.426   4.869  10.958
  295   3HB   ALA  40          3HB       ALA  40   7.442   6.281  10.571
  296    H    GLN  41           H        GLN  41   5.863   6.961  10.576
  297    HA   GLN  41           HA       GLN  41   3.604   6.440   8.792
  298   1HB   GLN  41          2HB       GLN  41   3.692   8.181  10.783
  299   2HB   GLN  41          1HB       GLN  41   4.457   9.198   9.572
  300   1HG   GLN  41          2HG       GLN  41   1.974   9.475   9.836
  301   2HG   GLN  41          1HG       GLN  41   2.547   9.175   8.196
  302   1HE2  GLN  41          1HE2      GLN  41   0.676   8.332   7.423
  303   2HE2  GLN  41          2HE2      GLN  41   0.049   6.792   7.922
  304    H    LEU  42           H        LEU  42   4.405   5.928   6.842
  305    HA   LEU  42           HA       LEU  42   6.722   7.143   5.709
  306   1HB   LEU  42          2HB       LEU  42   5.305   4.850   5.243
  307   2HB   LEU  42          1HB       LEU  42   4.844   5.830   3.867
  308    HG   LEU  42           HG       LEU  42   6.890   5.682   2.897
  309   1HD1  LEU  42          1HD1      LEU  42   8.025   6.909   4.708
  310   2HD1  LEU  42          2HD1      LEU  42   8.192   5.398   5.600
  311   3HD1  LEU  42          3HD1      LEU  42   9.013   5.602   4.053
  312   1HD2  LEU  42          1HD2      LEU  42   8.012   3.490   3.517
  313   2HD2  LEU  42          2HD2      LEU  42   6.756   3.319   4.743
  314   3HD2  LEU  42          3HD2      LEU  42   6.316   3.412   3.037
  315    H    GLY  43           H        GLY  43   3.690   8.345   6.129
  316   1HA   GLY  43          1HA       GLY  43   3.959  10.109   3.780
  317   2HA   GLY  43          2HA       GLY  43   2.399   9.588   4.402
  318    H    ASP  44           H        ASP  44   4.893  10.309   6.674
  319    HA   ASP  44           HA       ASP  44   3.419  12.742   7.433
  320   1HB   ASP  44          2HB       ASP  44   3.661  10.851   9.103
  321   2HB   ASP  44          1HB       ASP  44   5.383  11.218   9.145
  322    H    ILE  45           H        ILE  45   6.712  11.455   7.240
  323    HA   ILE  45           HA       ILE  45   7.813  14.158   7.280
  324    HB   ILE  45           HB       ILE  45  10.018  12.725   7.142
  325   1HG1  ILE  45          2HG1      ILE  45   8.448  10.694   8.633
  326   1HG2  ILE  45          1HG2      ILE  45  10.094  12.648   9.556
  327   2HG2  ILE  45          2HG2      ILE  45   9.280  14.123   9.032
  328   3HG2  ILE  45          3HG2      ILE  45   8.335  12.763   9.641
  329   1HD1  ILE  45          1HD1      ILE  45  10.022   9.144   7.563
  330   2HD1  ILE  45          2HD1      ILE  45  10.764  10.509   6.727
  331   3HD1  ILE  45          3HD1      ILE  45  10.832  10.407   8.486
  332    H    GLY  46           H        GLY  46   6.426  13.920   5.058
  333   1HA   GLY  46          1HA       GLY  46   6.912  14.505   2.801
  334   2HA   GLY  46          2HA       GLY  46   8.451  13.656   2.949
  335    H    THR  47           H        THR  47   5.448  13.465   1.594
  336    HA   THR  47           HA       THR  47   4.870  10.719   2.090
  337    HB   THR  47           HB       THR  47   3.538  11.540  -0.257
  338    HG1  THR  47           1HG      THR  47   4.163  13.675   0.075
  339   1HG2  THR  47          1HG2      THR  47   1.954  10.616   1.010
  340   2HG2  THR  47          2HG2      THR  47   1.884  12.117   1.931
  341   3HG2  THR  47          3HG2      THR  47   2.938  10.807   2.459
  342    H    SER  48           H        SER  48   6.430   9.331   1.411
  343    HA   SER  48           HA       SER  48   6.567   8.772  -1.394
  344   1HB   SER  48          2HB       SER  48   9.120   9.613   0.015
  345   2HB   SER  48          1HB       SER  48   9.026   8.920  -1.605
  346    HG   SER  48           HG       SER  48   7.384  11.083  -1.275
  347    H    SER  49           H        SER  49   6.193   6.652  -1.289
  348    HA   SER  49           HA       SER  49   7.704   5.060   0.670
  349   1HB   SER  49          2HB       SER  49   5.830   3.328   0.119
  350   2HB   SER  49          1HB       SER  49   5.456   4.666   1.205
  351    HG   SER  49           HG       SER  49   3.921   4.214  -0.567
  352    H    TYR  50           H        TYR  50   8.396   2.911  -0.124
  353    HA   TYR  50           HA       TYR  50   8.905   2.982  -3.028
  354   1HB   TYR  50          2HB       TYR  50  10.634   2.324  -0.710
  355   2HB   TYR  50          1HB       TYR  50  10.824   1.317  -2.144
  356    HD1  TYR  50           1HD      TYR  50  11.732   4.360  -0.569
  357    HD2  TYR  50           2HD      TYR  50  11.190   2.556  -4.386
  358    HE1  TYR  50           1HE      TYR  50  13.156   6.088  -1.579
  359    HE2  TYR  50           2HE      TYR  50  12.620   4.280  -5.408
  360    HH   TYR  50           HH       TYR  50  13.966   6.033  -5.039
  361    H    THR  51           H        THR  51   7.862   1.483  -4.132
  362    HA   THR  51           HA       THR  51   6.813  -0.879  -2.780
  363    HB   THR  51           HB       THR  51   6.287  -0.953  -5.576
  364    HG1  THR  51           1HG      THR  51   6.728   1.306  -5.578
  365   1HG2  THR  51          1HG2      THR  51   4.363  -0.089  -3.433
  366   2HG2  THR  51          2HG2      THR  51   4.927  -1.753  -3.569
  367   3HG2  THR  51          3HG2      THR  51   4.033  -1.015  -4.898
  368    H    LYS  52           H        LYS  52   8.407  -2.386  -2.514
  369    HA   LYS  52           HA       LYS  52   9.462  -3.589  -4.936
  370   1HB   LYS  52          2HB       LYS  52  11.212  -2.275  -2.868
  371   2HB   LYS  52          1HB       LYS  52  11.801  -3.653  -3.786
  372   1HG   LYS  52          2HG       LYS  52  10.611  -1.549  -5.436
  373   2HG   LYS  52          1HG       LYS  52  12.037  -1.042  -4.535
  374   1HD   LYS  52          2HD       LYS  52  13.024  -3.299  -5.438
  375   2HD   LYS  52          1HD       LYS  52  11.766  -3.119  -6.659
  376   1HE   LYS  52          2HE       LYS  52  13.842  -1.031  -6.010
  377   2HE   LYS  52          1HE       LYS  52  13.958  -2.180  -7.337
  378   1HZ   LYS  52          1HZ       LYS  52  12.735   0.305  -7.368
  379   2HZ   LYS  52          2HZ       LYS  52  11.471  -0.830  -7.441
  380   3HZ   LYS  52          3HZ       LYS  52  12.713  -0.874  -8.590
  381    H    SER  53           H        SER  53   9.870  -5.754  -4.705
  382    HA   SER  53           HA       SER  53   9.745  -7.847  -3.846
  383   1HB   SER  53          2HB       SER  53  10.409  -6.539  -1.197
  384   2HB   SER  53          1HB       SER  53  10.622  -8.241  -1.617
  385    HG   SER  53           HG       SER  53  11.847  -6.544  -3.386
  386    H    GLY  54           H        GLY  54   7.368  -6.067  -3.853
  387   1HA   GLY  54          1HA       GLY  54   5.153  -6.227  -3.232
  388   2HA   GLY  54          2HA       GLY  54   5.540  -7.794  -2.529
  389    H    MET  55           H        MET  55   7.392  -5.139  -1.439
  390    HA   MET  55           HA       MET  55   5.724  -4.862   0.955
  391   1HB   MET  55          2HB       MET  55   7.484  -5.228   2.413
  392   2HB   MET  55          1HB       MET  55   7.859  -6.370   1.133
  393   1HG   MET  55          2HG       MET  55   9.504  -4.877   0.215
  394   2HG   MET  55          1HG       MET  55   9.068  -3.627   1.378
  395   1HE   MET  55          1HE       MET  55  12.175  -6.639   1.539
  396   2HE   MET  55          2HE       MET  55  11.381  -5.706   0.268
  397   3HE   MET  55          3HE       MET  55  12.478  -4.909   1.394
  398    H    ILE  56           H        ILE  56   6.542  -2.908   2.282
  399    HA   ILE  56           HA       ILE  56   7.150  -0.716   0.400
  400    HB   ILE  56           HB       ILE  56   5.418  -0.471   2.861
  401   1HG1  ILE  56          2HG1      ILE  56   4.398  -1.981   1.148
  402   1HG2  ILE  56          1HG2      ILE  56   6.141   1.652   2.419
  403   2HG2  ILE  56          2HG2      ILE  56   6.261   1.372   0.682
  404   3HG2  ILE  56          3HG2      ILE  56   4.679   1.590   1.432
  405   1HD1  ILE  56          1HD1      ILE  56   4.732  -1.472  -0.996
  406   2HD1  ILE  56          2HD1      ILE  56   3.407  -0.333  -0.771
  407   3HD1  ILE  56          3HD1      ILE  56   5.075   0.222  -0.644
  408    H    LEU  57           H        LEU  57   8.967   0.330   0.867
  409    HA   LEU  57           HA       LEU  57   9.906   0.327   3.661
  410   1HB   LEU  57          2HB       LEU  57  11.642   0.337   1.191
  411   2HB   LEU  57          1HB       LEU  57  12.196   0.286   2.851
  412    HG   LEU  57           HG       LEU  57  10.457  -1.931   2.427
  413   1HD1  LEU  57          1HD1      LEU  57  10.904  -2.696   0.395
  414   2HD1  LEU  57          2HD1      LEU  57  11.737  -1.181   0.045
  415   3HD1  LEU  57          3HD1      LEU  57  12.638  -2.559   0.679
  416   1HD2  LEU  57          1HD2      LEU  57  12.199  -1.857   4.100
  417   2HD2  LEU  57          2HD2      LEU  57  12.511  -3.189   2.987
  418   3HD2  LEU  57          3HD2      LEU  57  13.434  -1.693   2.852
  419    H    CYS  58           H        CYS  58  11.422   2.132   4.123
  420    HA   CYS  58           HA       CYS  58  10.452   4.631   2.991
  421   1HB   CYS  58          2HB       CYS  58  11.830   5.699   4.704
  422   2HB   CYS  58          1HB       CYS  58  10.820   4.457   5.438
  423    H    ARG  59           H        ARG  59  12.387   6.272   2.585
  424    HA   ARG  59           HA       ARG  59  13.880   5.264   0.405
  425   1HB   ARG  59          2HB       ARG  59  13.279   7.641   0.617
  426   2HB   ARG  59          1HB       ARG  59  14.351   7.787   2.005
  427   1HG   ARG  59          2HG       ARG  59  15.901   8.433   0.545
  428   2HG   ARG  59          1HG       ARG  59  15.996   6.735   0.074
  429   1HD   ARG  59          2HD       ARG  59  15.725   8.081  -1.904
  430   2HD   ARG  59          1HD       ARG  59  14.247   7.156  -1.632
  431    HE   ARG  59           HE       ARG  59  14.183   9.784  -0.461
  432   1HH1  ARG  59          2HH1      ARG  59  13.608   7.959  -3.402
  433   2HH1  ARG  59          1HH1      ARG  59  12.493   9.127  -4.053
  434   1HH2  ARG  59          2HH2      ARG  59  12.718  11.283  -1.278
  435   2HH2  ARG  59          1HH2      ARG  59  11.944  11.014  -2.814
  436    H    ASN  60           H        ASN  60  14.731   5.943   3.769
  437    HA   ASN  60           HA       ASN  60  17.491   5.414   3.556
  438   1HB   ASN  60          2HB       ASN  60  16.695   6.590   5.486
  439   2HB   ASN  60          1HB       ASN  60  15.597   5.280   5.907
  440   1HD2  ASN  60          1HD2      ASN  60  16.310   4.532   7.795
  441   2HD2  ASN  60          2HD2      ASN  60  17.938   4.042   8.124
  442    H    ASP  61           H        ASP  61  14.773   3.334   4.531
  443    HA   ASP  61           HA       ASP  61  16.420   1.056   4.972
  444   1HB   ASP  61          2HB       ASP  61  13.544   1.658   5.024
  445   2HB   ASP  61          1HB       ASP  61  13.931   0.002   4.552
  446    H    TYR  62           H        TYR  62  14.706   2.322   2.213
  447    HA   TYR  62           HA       TYR  62  14.973   0.073   0.518
  448   1HB   TYR  62          2HB       TYR  62  13.452   1.867  -0.059
  449   2HB   TYR  62          1HB       TYR  62  14.774   3.027  -0.105
  450    HD1  TYR  62           1HD      TYR  62  15.815   3.498  -2.127
  451    HD2  TYR  62           2HD      TYR  62  13.590  -0.103  -1.734
  452    HE1  TYR  62           1HE      TYR  62  16.109   3.063  -4.530
  453    HE2  TYR  62           2HE      TYR  62  13.881  -0.552  -4.130
  454    HH   TYR  62           HH       TYR  62  14.450   1.399  -6.314
  455    H    ILE  63           H        ILE  63  17.008   2.925   1.079
  456    HA   ILE  63           HA       ILE  63  18.990   2.365  -0.826
  457    HB   ILE  63           HB       ILE  63  19.180   3.873   1.786
  458   1HG1  ILE  63          2HG1      ILE  63  17.821   5.208   0.501
  459   1HG2  ILE  63          1HG2      ILE  63  21.167   4.027  -0.463
  460   2HG2  ILE  63          2HG2      ILE  63  21.288   4.716   1.156
  461   3HG2  ILE  63          3HG2      ILE  63  21.379   2.969   0.932
  462   1HD1  ILE  63          1HD1      ILE  63  19.226   4.230  -1.968
  463   2HD1  ILE  63          2HD1      ILE  63  17.575   3.865  -1.459
  464   3HD1  ILE  63          3HD1      ILE  63  18.008   5.506  -1.944
  465    H    ARG  64           H        ARG  64  18.610   1.314   2.511
  466    HA   ARG  64           HA       ARG  64  21.166  -0.012   2.565
  467   1HB   ARG  64          2HB       ARG  64  18.906   0.372   4.454
  468   2HB   ARG  64          1HB       ARG  64  19.956  -1.013   4.721
  469   1HG   ARG  64          2HG       ARG  64  21.638   0.253   5.469
  470   2HG   ARG  64          1HG       ARG  64  21.393   1.483   4.227
  471   1HD   ARG  64          2HD       ARG  64  20.921   2.582   6.238
  472   2HD   ARG  64          1HD       ARG  64  19.337   2.180   5.576
  473    HE   ARG  64           HE       ARG  64  20.662   0.819   7.832
  474   1HH1  ARG  64          2HH1      ARG  64  17.801   1.561   5.972
  475   2HH1  ARG  64          1HH1      ARG  64  16.718   0.736   7.054
  476   1HH2  ARG  64          2HH2      ARG  64  19.252  -0.219   9.289
  477   2HH2  ARG  64          1HH2      ARG  64  17.536  -0.222   8.980
  478    H    LEU  65           H        LEU  65  18.386  -0.755   1.015
  479    HA   LEU  65           HA       LEU  65  18.760  -3.649   1.385
  480   1HB   LEU  65          2HB       LEU  65  16.403  -2.042   1.389
  481   2HB   LEU  65          1HB       LEU  65  16.338  -3.109   0.000
  482    HG   LEU  65           HG       LEU  65  15.209  -4.087   1.936
  483   1HD1  LEU  65          1HD1      LEU  65  17.686  -5.715   1.623
  484   2HD1  LEU  65          2HD1      LEU  65  15.996  -6.223   1.636
  485   3HD1  LEU  65          3HD1      LEU  65  16.662  -5.410   0.218
  486   1HD2  LEU  65          1HD2      LEU  65  16.140  -3.389   3.885
  487   2HD2  LEU  65          2HD2      LEU  65  16.975  -4.935   3.732
  488   3HD2  LEU  65          3HD2      LEU  65  17.785  -3.443   3.248
  489    H    PHE  66           H        PHE  66  17.385  -1.581  -1.178
  490    HA   PHE  66           HA       PHE  66  18.997  -3.114  -3.115
  491   1HB   PHE  66          2HB       PHE  66  16.524  -1.659  -3.947
  492   2HB   PHE  66          1HB       PHE  66  17.249  -3.107  -4.628
  493    HD1  PHE  66           1HD      PHE  66  16.932  -5.291  -3.507
  494    HD2  PHE  66           2HD      PHE  66  14.893  -1.780  -2.229
  495    HE1  PHE  66           1HE      PHE  66  15.321  -6.678  -2.266
  496    HE2  PHE  66           2HE      PHE  66  13.281  -3.163  -0.988
  497    HZ   PHE  66           HZ       PHE  66  13.497  -5.613  -1.001
  498    H    GLY  67           H        GLY  67  18.224   0.012  -1.917
  499   1HA   GLY  67          1HA       GLY  67  19.098   1.425  -4.282
  500   2HA   GLY  67          2HA       GLY  67  18.609   2.143  -2.758
  501    H    ASN  68           H        ASN  68  21.156  -0.211  -3.490
  502    HA   ASN  68           HA       ASN  68  23.064   1.231  -1.901
  503   1HB   ASN  68          2HB       ASN  68  23.105  -1.248  -2.121
  504   2HB   ASN  68          1HB       ASN  68  23.524  -1.065  -3.822
  505   1HD2  ASN  68          1HD2      ASN  68  24.628  -0.809  -0.550
  506   2HD2  ASN  68          2HD2      ASN  68  26.312  -0.636  -0.920
  507    H    SER  69           H        SER  69  24.469   2.735  -2.555
  508    HA   SER  69           HA       SER  69  24.177   3.855  -5.167
  509   1HB   SER  69          2HB       SER  69  26.335   4.608  -3.213
  510   2HB   SER  69          1HB       SER  69  25.485   5.634  -4.371
  511    HG   SER  69           HG       SER  69  23.619   4.652  -2.843
  512    H    GLY  70           H        GLY  70  24.807   1.790  -6.210
  513   1HA   GLY  70          1HA       GLY  70  27.584   1.985  -7.053
  514   2HA   GLY  70          2HA       GLY  70  27.108   0.467  -6.303
  515    H    ALA  71           H        ALA  71  26.900   2.472  -9.093
  516    HA   ALA  71           HA       ALA  71  24.877   0.951 -10.428
  517   1HB   ALA  71          1HB       ALA  71  25.556   2.290 -12.419
  518   2HB   ALA  71          2HB       ALA  71  25.128   3.259 -11.010
  519   3HB   ALA  71          3HB       ALA  71  26.822   3.021 -11.434
  520    H    GLY  72           H        GLY  72  25.922  -1.144 -10.002
  521   1HA   GLY  72          1HA       GLY  72  26.892  -2.436 -12.191
  522   2HA   GLY  72          2HA       GLY  72  28.336  -1.787 -11.424
  523    H    GLY  73           H        GLY  73  29.153  -3.819 -10.889
  524   1HA   GLY  73          1HA       GLY  73  27.738  -5.082  -8.627
  525   2HA   GLY  73          2HA       GLY  73  28.380  -6.069  -9.932
  526    H    SER  74           H        SER  74  29.812  -3.227  -8.394
  527    HA   SER  74           HA       SER  74  32.336  -4.516  -8.154
  528   1HB   SER  74          2HB       SER  74  31.922  -2.091  -6.545
  529   2HB   SER  74          1HB       SER  74  33.114  -2.424  -7.802
  530    HG   SER  74           HG       SER  74  31.916  -1.355  -9.139
  531    H    GLY  75           H        GLY  75  29.737  -3.738  -5.917
  532   1HA   GLY  75          1HA       GLY  75  31.252  -4.929  -3.711
  533   2HA   GLY  75          2HA       GLY  75  29.773  -3.994  -3.559
  534    H    GLY  76           H        GLY  76  28.233  -5.233  -2.743
  535   1HA   GLY  76          1HA       GLY  76  28.041  -8.021  -3.711
  536   2HA   GLY  76          2HA       GLY  76  27.511  -7.486  -2.122
  537    H    HIS  77           H        HIS  77  25.573  -6.372  -1.904
  538    HA   HIS  77           HA       HIS  77  23.686  -6.845  -4.083
  539   1HB   HIS  77          2HB       HIS  77  23.305  -7.451  -1.587
  540   2HB   HIS  77          1HB       HIS  77  22.971  -5.737  -1.381
  541    HD1  HIS  77           1HD      HIS  77  20.525  -6.385  -0.723
  542    HD2  HIS  77           2HD      HIS  77  21.601  -7.337  -4.627
  543    HE1  HIS  77           1HE      HIS  77  18.364  -6.832  -1.934
  544    HE2  HIS  77           2HE      HIS  77  19.035  -7.195  -4.339
  545    H    MET  78           H        MET  78  24.905  -5.078  -5.263
  546    HA   MET  78           HA       MET  78  24.304  -2.364  -4.432
  547   1HB   MET  78          2HB       MET  78  25.621  -3.483  -6.914
  548   2HB   MET  78          1HB       MET  78  25.384  -1.764  -6.621
  549   1HG   MET  78          2HG       MET  78  26.761  -1.936  -4.598
  550   2HG   MET  78          1HG       MET  78  27.023  -3.645  -4.939
  551   1HE   MET  78          1HE       MET  78  28.525  -0.907  -4.481
  552   2HE   MET  78          2HE       MET  78  30.072  -1.278  -5.246
  553   3HE   MET  78          3HE       MET  78  29.016  -0.051  -5.942
  554    H    GLY  79           H        GLY  79  23.212  -0.883  -6.100
  555   1HA   GLY  79          1HA       GLY  79  21.452  -2.023  -8.005
  556   2HA   GLY  79          2HA       GLY  79  20.604  -1.768  -6.490
  557    H    SER  80           H        SER  80  19.749   0.152  -6.111
  558    HA   SER  80           HA       SER  80  19.773   2.079  -8.207
  559   1HB   SER  80          2HB       SER  80  18.526   2.902  -5.679
  560   2HB   SER  80          1HB       SER  80  17.821   2.734  -7.289
  561    HG   SER  80           HG       SER  80  16.869   1.152  -6.113
  562    H    GLY  81           H        GLY  81  21.882   2.917  -8.315
  563   1HA   GLY  81          1HA       GLY  81  22.285   5.237  -6.733
  564   2HA   GLY  81          2HA       GLY  81  23.376   3.957  -6.222
  565    H    GLY  82           H        GLY  82  24.701   5.995  -7.003
  566   1HA   GLY  82          1HA       GLY  82  25.337   5.640  -9.858
  567   2HA   GLY  82          2HA       GLY  82  25.742   7.059  -8.901
  568    H    ASP  83           H        ASP  83  27.878   7.190  -8.634
  569    HA   ASP  83           HA       ASP  83  29.321   5.219  -7.232
  570   1HB   ASP  83          2HB       ASP  83  29.119   4.130  -9.530
  571   2HB   ASP  83          1HB       ASP  83  30.189   5.404 -10.115
  572    H    VAL  84           H        VAL  84  31.693   5.734  -7.139
  573    HA   VAL  84           HA       VAL  84  32.071   8.564  -6.865
  574    HB   VAL  84           HB       VAL  84  34.563   7.677  -6.537
  575   1HG1  VAL  84          1HG1      VAL  84  32.442   7.150  -4.467
  576   2HG1  VAL  84          2HG1      VAL  84  34.135   7.562  -4.197
  577   3HG1  VAL  84          3HG1      VAL  84  33.035   8.759  -4.879
  578   1HG2  VAL  84          1HG2      VAL  84  33.117   5.277  -6.971
  579   2HG2  VAL  84          2HG2      VAL  84  34.815   5.470  -6.545
  580   3HG2  VAL  84          3HG2      VAL  84  33.600   5.315  -5.277
  581    H    MET  85           H        MET  85  32.784   6.161  -9.271
  582    HA   MET  85           HA       MET  85  33.442   8.155 -11.210
  583   1HB   MET  85          2HB       MET  85  35.606   7.586  -9.770
  584   2HB   MET  85          1HB       MET  85  35.677   6.209 -10.861
  585   1HG   MET  85          2HG       MET  85  35.229   8.384 -12.525
  586   2HG   MET  85          1HG       MET  85  36.369   8.977 -11.321
  587   1HE   MET  85          1HE       MET  85  37.882   6.944 -10.378
  588   2HE   MET  85          2HE       MET  85  37.925   5.426 -11.272
  589   3HE   MET  85          3HE       MET  85  39.247   6.583 -11.433
  590    H    VAL  86           H        VAL  86  31.446   6.794 -11.706
  591    HA   VAL  86           HA       VAL  86  31.933   4.125 -12.645
  592    HB   VAL  86           HB       VAL  86  29.756   4.623 -11.718
  593   1HG1  VAL  86          1HG1      VAL  86  29.579   6.666 -13.907
  594   2HG1  VAL  86          2HG1      VAL  86  28.159   6.050 -13.063
  595   3HG1  VAL  86          3HG1      VAL  86  29.415   6.904 -12.169
  596   1HG2  VAL  86          1HG2      VAL  86  29.033   2.999 -13.042
  597   2HG2  VAL  86          2HG2      VAL  86  28.575   4.217 -14.233
  598   3HG2  VAL  86          3HG2      VAL  86  30.171   3.471 -14.303
  599    H    VAL  87           H        VAL  87  32.745   3.575 -14.513
  600    HA   VAL  87           HA       VAL  87  32.659   5.530 -16.717
  601    HB   VAL  87           HB       VAL  87  34.652   4.329 -17.627
  602   1HG1  VAL  87          1HG1      VAL  87  34.840   6.409 -16.308
  603   2HG1  VAL  87          2HG1      VAL  87  35.055   5.437 -14.852
  604   3HG1  VAL  87          3HG1      VAL  87  36.251   5.364 -16.147
  605   1HG2  VAL  87          1HG2      VAL  87  34.414   2.840 -15.030
  606   2HG2  VAL  87          2HG2      VAL  87  34.570   2.193 -16.662
  607   3HG2  VAL  87          3HG2      VAL  87  35.946   2.980 -15.891
  608    H    GLY  88           H        GLY  88  32.867   4.398 -18.931
  609   1HA   GLY  88          1HA       GLY  88  32.297   2.339 -20.172
  610   2HA   GLY  88          2HA       GLY  88  31.069   2.050 -18.945
  611    H    GLU  89           H        GLU  89  29.066   2.651 -19.435
  612    HA   GLU  89           HA       GLU  89  28.602   5.120 -20.843
  613   1HB   GLU  89          2HB       GLU  89  28.901   3.406 -22.673
  614   2HB   GLU  89          1HB       GLU  89  27.463   2.597 -22.058
  615   1HG   GLU  89          2HG       GLU  89  26.280   3.891 -23.405
  616   2HG   GLU  89          1HG       GLU  89  26.687   5.239 -22.346
  617    HA   PRO  90           HA       PRO  90  25.371   3.959 -17.758
  618   1HB   PRO  90          2HB       PRO  90  26.006   6.281 -16.224
  619   2HB   PRO  90          1HB       PRO  90  26.323   4.596 -15.808
  620   1HG   PRO  90          2HG       PRO  90  28.268   6.494 -16.358
  621   2HG   PRO  90          1HG       PRO  90  28.503   4.739 -16.434
  622   1HD   PRO  90          2HD       PRO  90  27.987   6.684 -18.647
  623   2HD   PRO  90          1HD       PRO  90  29.046   5.256 -18.621
  624    H    THR  91           H        THR  91  23.472   5.227 -17.076
  625    HA   THR  91           HA       THR  91  22.535   6.876 -19.211
  626    HB   THR  91           HB       THR  91  20.966   6.810 -16.715
  627    HG1  THR  91           1HG      THR  91  21.463   4.407 -18.187
  628   1HG2  THR  91          1HG2      THR  91  20.128   7.569 -18.947
  629   2HG2  THR  91          2HG2      THR  91  19.168   6.282 -18.217
  630   3HG2  THR  91          3HG2      THR  91  20.298   5.907 -19.517
  631    H    LEU  92           H        LEU  92  23.970   7.455 -16.147
  632    HA   LEU  92           HA       LEU  92  24.222  10.252 -16.623
  633   1HB   LEU  92          2HB       LEU  92  22.086   9.275 -14.841
  634   2HB   LEU  92          1HB       LEU  92  23.143  10.459 -14.101
  635    HG   LEU  92           HG       LEU  92  21.347  10.802 -16.488
  636   1HD1  LEU  92          1HD1      LEU  92  20.272  11.191 -14.400
  637   2HD1  LEU  92          2HD1      LEU  92  21.623  12.165 -13.817
  638   3HD1  LEU  92          3HD1      LEU  92  20.603  12.763 -15.128
  639   1HD2  LEU  92          1HD2      LEU  92  22.309  12.993 -16.851
  640   2HD2  LEU  92          2HD2      LEU  92  23.481  12.724 -15.563
  641   3HD2  LEU  92          3HD2      LEU  92  23.552  11.759 -17.036
  642    H    MET  93           H        MET  93  24.310  10.382 -13.482
  643    HA   MET  93           HA       MET  93  27.022   9.369 -13.183
  644   1HB   MET  93          2HB       MET  93  26.905  10.297 -10.905
  645   2HB   MET  93          1HB       MET  93  26.490  11.501 -12.110
  646   1HG   MET  93          2HG       MET  93  24.410   9.957 -10.597
  647   2HG   MET  93          1HG       MET  93  25.109  11.455  -9.991
  648   1HE   MET  93          1HE       MET  93  22.425  11.130  -9.962
  649   2HE   MET  93          2HE       MET  93  22.206  12.849 -10.288
  650   3HE   MET  93          3HE       MET  93  21.377  11.651 -11.282
  651    H    GLY  94           H        GLY  94  26.184   7.259 -13.798
  652   1HA   GLY  94          1HA       GLY  94  25.825   5.036 -13.003
  653   2HA   GLY  94          2HA       GLY  94  25.163   5.710 -11.515
  654    H    GLY  95           H        GLY  95  23.216   7.189 -11.916
  655   1HA   GLY  95          1HA       GLY  95  21.261   7.735 -13.050
  656   2HA   GLY  95          2HA       GLY  95  21.659   6.541 -14.273
  657    H    GLU  96           H        GLU  96  22.074   4.779 -11.678
  658    HA   GLU  96           HA       GLU  96  19.517   3.511 -11.952
  659   1HB   GLU  96          2HB       GLU  96  21.681   2.807  -9.973
  660   2HB   GLU  96          1HB       GLU  96  20.422   1.759 -10.615
  661   1HG   GLU  96          2HG       GLU  96  22.439   2.996 -12.442
  662   2HG   GLU  96          1HG       GLU  96  22.831   1.546 -11.519
  663    H    PHE  97           H        PHE  97  20.605   6.031 -10.055
  664    HA   PHE  97           HA       PHE  97  19.051   5.411  -7.700
  665   1HB   PHE  97          2HB       PHE  97  21.190   7.109  -8.226
  666   2HB   PHE  97          1HB       PHE  97  19.831   8.200  -7.965
  667    HD1  PHE  97           1HD      PHE  97  22.381   7.761  -6.271
  668    HD2  PHE  97           2HD      PHE  97  18.399   6.295  -5.983
  669    HE1  PHE  97           1HE      PHE  97  22.653   7.506  -3.837
  670    HE2  PHE  97           2HE      PHE  97  18.664   6.037  -3.554
  671    HZ   PHE  97           HZ       PHE  97  20.794   6.643  -2.477
  672    H    GLY  98           H        GLY  98  18.125   6.153 -10.658
  673   1HA   GLY  98          1HA       GLY  98  16.029   8.062  -9.879
  674   2HA   GLY  98          2HA       GLY  98  16.466   7.641 -11.529
  675    H    ASP  99           H        ASP  99  15.104   6.234  -8.562
  676    HA   ASP  99           HA       ASP  99  13.792   4.179 -10.164
  677   1HB   ASP  99          2HB       ASP  99  14.984   3.672  -7.970
  678   2HB   ASP  99          1HB       ASP  99  13.647   4.485  -7.165
  679    H    GLU 100           H        GLU 100  11.782   4.341 -10.815
  680    HA   GLU 100           HA       GLU 100  10.132   6.546  -9.906
  681   1HB   GLU 100          2HB       GLU 100   9.507   4.426 -11.967
  682   2HB   GLU 100          1HB       GLU 100   8.655   5.945 -11.730
  683   1HG   GLU 100          2HG       GLU 100  11.538   6.176 -12.250
  684   2HG   GLU 100          1HG       GLU 100  10.566   5.557 -13.582
  685    H    ASP 101           H        ASP 101  10.723   3.585  -8.717
  686    HA   ASP 101           HA       ASP 101   8.065   2.619  -8.231
  687   1HB   ASP 101          2HB       ASP 101  10.764   1.698  -7.791
  688   2HB   ASP 101          1HB       ASP 101   9.809   1.489  -6.328
  689    H    GLU 102           H        GLU 102   9.458   5.289  -7.127
  690    HA   GLU 102           HA       GLU 102   8.526   5.038  -4.360
  691   1HB   GLU 102          2HB       GLU 102   9.741   7.115  -3.929
  692   2HB   GLU 102          1HB       GLU 102  10.800   5.902  -4.637
  693   1HG   GLU 102          2HG       GLU 102  11.264   7.185  -6.385
  694   2HG   GLU 102          1HG       GLU 102   9.565   7.582  -6.642
  695    H    ARG 103           H        ARG 103   7.577   7.162  -3.514
  696    HA   ARG 103           HA       ARG 103   5.827   8.602  -3.428
  697   1HB   ARG 103          2HB       ARG 103   7.485   9.375  -5.539
  698   2HB   ARG 103          1HB       ARG 103   5.852   9.496  -6.179
  699   1HG   ARG 103          2HG       ARG 103   5.206  11.033  -4.501
  700   2HG   ARG 103          1HG       ARG 103   6.666  10.722  -3.561
  701   1HD   ARG 103          2HD       ARG 103   6.410  12.181  -6.177
  702   2HD   ARG 103          1HD       ARG 103   6.992  12.802  -4.633
  703    HE   ARG 103           HE       ARG 103   8.677  10.711  -5.337
  704   1HH1  ARG 103          2HH1      ARG 103   7.823  13.907  -6.526
  705   2HH1  ARG 103          1HH1      ARG 103   9.336  14.127  -7.362
  706   1HH2  ARG 103          2HH2      ARG 103  10.647  11.008  -6.415
  707   2HH2  ARG 103          1HH2      ARG 103  10.925  12.460  -7.334
  708    H    LEU 104           H        LEU 104   4.964   6.053  -3.835
  709    HA   LEU 104           HA       LEU 104   2.888   6.227  -5.889
  710   1HB   LEU 104          2HB       LEU 104   2.655   3.907  -5.745
  711   2HB   LEU 104          1HB       LEU 104   4.380   4.180  -5.601
  712    HG   LEU 104           HG       LEU 104   2.931   4.052  -3.039
  713   1HD1  LEU 104          1HD1      LEU 104   3.053   1.482  -3.225
  714   2HD1  LEU 104          2HD1      LEU 104   1.670   2.323  -3.928
  715   3HD1  LEU 104          3HD1      LEU 104   2.982   1.764  -4.966
  716   1HD2  LEU 104          1HD2      LEU 104   5.296   2.428  -3.866
  717   2HD2  LEU 104          2HD2      LEU 104   5.466   4.154  -3.556
  718   3HD2  LEU 104          3HD2      LEU 104   4.884   3.084  -2.283
  719    H    ILE 105           H        ILE 105   3.124   7.468  -3.024
  720    HA   ILE 105           HA       ILE 105   0.893   6.346  -1.616
  721    HB   ILE 105           HB       ILE 105   2.148   9.048  -1.143
  722   1HG1  ILE 105          2HG1      ILE 105   3.086   6.300  -0.487
  723   1HG2  ILE 105          1HG2      ILE 105   1.228   7.744   1.217
  724   2HG2  ILE 105          2HG2      ILE 105   0.663   9.250   0.496
  725   3HG2  ILE 105          3HG2      ILE 105  -0.065   7.715   0.018
  726   1HD1  ILE 105          1HD1      ILE 105   2.918   8.416   1.544
  727   2HD1  ILE 105          2HD1      ILE 105   3.045   6.666   1.718
  728   3HD1  ILE 105          3HD1      ILE 105   4.484   7.622   1.362
  729    H    THR 106           H        THR 106  -1.004   6.466  -2.614
  730    HA   THR 106           HA       THR 106  -1.913   9.106  -3.547
  731    HB   THR 106           HB       THR 106  -3.097   6.380  -4.113
  732    HG1  THR 106           1HG      THR 106  -1.421   8.102  -5.636
  733   1HG2  THR 106          1HG2      THR 106  -4.917   7.454  -4.809
  734   2HG2  THR 106          2HG2      THR 106  -3.934   8.357  -5.966
  735   3HG2  THR 106          3HG2      THR 106  -4.195   8.997  -4.341
  736    H    ARG 107           H        ARG 107  -3.040  10.133  -2.005
  737    HA   ARG 107           HA       ARG 107  -4.685   8.503  -0.194
  738   1HB   ARG 107          2HB       ARG 107  -2.566   8.982   0.918
  739   2HB   ARG 107          1HB       ARG 107  -2.767  10.699   0.602
  740   1HG   ARG 107          2HG       ARG 107  -5.043   9.590   2.006
  741   2HG   ARG 107          1HG       ARG 107  -3.528   9.338   2.880
  742   1HD   ARG 107          2HD       ARG 107  -3.063  11.646   2.944
  743   2HD   ARG 107          1HD       ARG 107  -4.285  12.003   1.721
  744    HE   ARG 107           HE       ARG 107  -5.868  12.084   3.367
  745   1HH1  ARG 107          2HH1      ARG 107  -2.996  10.525   4.656
  746   2HH1  ARG 107          1HH1      ARG 107  -3.635  10.417   6.272
  747   1HH2  ARG 107          2HH2      ARG 107  -6.696  11.955   5.446
  748   2HH2  ARG 107          1HH2      ARG 107  -5.760  11.229   6.727
  749    H    LEU 108           H        LEU 108  -6.685   9.119  -0.440
  750    HA   LEU 108           HA       LEU 108  -7.271  11.989  -0.477
  751   1HB   LEU 108          2HB       LEU 108  -8.518   9.857  -2.213
  752   2HB   LEU 108          1HB       LEU 108  -9.283  11.406  -1.921
  753    HG   LEU 108           HG       LEU 108  -6.679  12.019  -2.758
  754   1HD1  LEU 108          1HD1      LEU 108  -7.153   9.465  -3.627
  755   2HD1  LEU 108          2HD1      LEU 108  -7.679  10.444  -4.996
  756   3HD1  LEU 108          3HD1      LEU 108  -6.040  10.615  -4.368
  757   1HD2  LEU 108          1HD2      LEU 108  -8.908  13.158  -3.166
  758   2HD2  LEU 108          2HD2      LEU 108  -7.772  13.137  -4.515
  759   3HD2  LEU 108          3HD2      LEU 108  -9.133  12.015  -4.490
  760    H    GLU 109           H        GLU 109  -9.486  12.429   0.294
  761    HA   GLU 109           HA       GLU 109 -10.440  10.369   2.149
  762   1HB   GLU 109          2HB       GLU 109 -10.858  12.447   3.705
  763   2HB   GLU 109          1HB       GLU 109  -9.282  11.668   3.673
  764   1HG   GLU 109          2HG       GLU 109  -9.535  13.776   1.690
  765   2HG   GLU 109          1HG       GLU 109  -9.801  14.347   3.336
  766    H    ASN 110           H        ASN 110 -12.631  10.810   2.953
  767    HA   ASN 110           HA       ASN 110 -14.400  11.550   0.867
  768   1HB   ASN 110          2HB       ASN 110 -16.031  10.686   2.194
  769   2HB   ASN 110          1HB       ASN 110 -14.668  10.048   3.104
  770   1HD2  ASN 110          1HD2      ASN 110 -17.395  12.032   3.157
  771   2HD2  ASN 110          2HD2      ASN 110 -17.200  12.671   4.760
  772    H    THR 111           H        THR 111 -12.747  13.282   3.272
  773    HA   THR 111           HA       THR 111 -14.481  15.588   3.272
  774    HB   THR 111           HB       THR 111 -12.055  16.355   4.369
  775    HG1  THR 111           1HG      THR 111 -11.407  14.579   5.637
  776   1HG2  THR 111          1HG2      THR 111 -14.686  16.098   5.156
  777   2HG2  THR 111          2HG2      THR 111 -13.372  16.738   6.143
  778   3HG2  THR 111          3HG2      THR 111 -13.827  15.040   6.274
  779    H    GLN 112           H        GLN 112 -12.437  14.348   1.040
  780    HA   GLN 112           HA       GLN 112 -11.368  16.946   0.183
  781   1HB   GLN 112          2HB       GLN 112 -10.133  14.495   0.352
  782   2HB   GLN 112          1HB       GLN 112 -10.559  14.582  -1.352
  783   1HG   GLN 112          2HG       GLN 112  -9.434  17.074  -0.470
  784   2HG   GLN 112          1HG       GLN 112  -8.358  15.731  -0.084
  785   1HE2  GLN 112          1HE2      GLN 112  -7.056  15.050  -1.617
  786   2HE2  GLN 112          2HE2      GLN 112  -7.227  15.373  -3.321
  787    H    PHE 113           H        PHE 113 -11.736  14.413  -2.153
  788    HA   PHE 113           HA       PHE 113 -13.656  16.101  -3.582
  789   1HB   PHE 113          2HB       PHE 113 -11.495  14.302  -4.357
  790   2HB   PHE 113          1HB       PHE 113 -12.972  14.005  -5.267
  791    HD1  PHE 113           1HD      PHE 113 -10.211  15.148  -6.163
  792    HD2  PHE 113           2HD      PHE 113 -13.953  16.918  -5.177
  793    HE1  PHE 113           1HE      PHE 113  -9.687  17.056  -7.621
  794    HE2  PHE 113           2HE      PHE 113 -13.434  18.832  -6.636
  795    HZ   PHE 113           HZ       PHE 113 -11.300  18.902  -7.861
  796    H    ASP 114           H        ASP 114 -13.454  13.129  -1.880
  797    HA   ASP 114           HA       ASP 114 -15.646  11.811  -3.129
  798   1HB   ASP 114          2HB       ASP 114 -13.692  10.978  -1.456
  799   2HB   ASP 114          1HB       ASP 114 -15.015  11.151  -0.307
  800    H    ALA 115           H        ALA 115 -17.473  11.047  -1.471
  801    HA   ALA 115           HA       ALA 115 -18.767  13.543  -0.613
  802   1HB   ALA 115          1HB       ALA 115 -19.730  11.590  -2.228
  803   2HB   ALA 115          2HB       ALA 115 -20.361  11.073  -0.665
  804   3HB   ALA 115          3HB       ALA 115 -20.740  12.681  -1.278
  805    H    ALA 116           H        ALA 116 -20.323  13.219   1.303
  806    HA   ALA 116           HA       ALA 116 -18.801  12.063   3.495
  807   1HB   ALA 116          1HB       ALA 116 -20.571  14.233   3.238
  808   2HB   ALA 116          2HB       ALA 116 -21.337  13.081   4.331
  809   3HB   ALA 116          3HB       ALA 116 -19.721  13.689   4.685
  810    H    ASN 117           H        ASN 117 -20.199  10.456   1.406
  811    HA   ASN 117           HA       ASN 117 -22.100   8.934   3.040
  812   1HB   ASN 117          2HB       ASN 117 -22.516   9.700   0.565
  813   2HB   ASN 117          1HB       ASN 117 -21.493   8.325   0.164
  814   1HD2  ASN 117          1HD2      ASN 117 -23.404   7.547  -0.926
  815   2HD2  ASN 117          2HD2      ASN 117 -24.623   6.715  -0.015
  816    H    GLY 118           H        GLY 118 -19.329   8.893   3.673
  817   1HA   GLY 118          1HA       GLY 118 -17.818   7.271   4.349
  818   2HA   GLY 118          2HA       GLY 118 -18.816   6.055   3.562
  819    H    ILE 119           H        ILE 119 -18.457   5.533   1.432
  820    HA   ILE 119           HA       ILE 119 -16.208   6.850   0.087
  821    HB   ILE 119           HB       ILE 119 -16.086   4.262  -0.865
  822   1HG1  ILE 119          2HG1      ILE 119 -15.636   3.428   1.793
  823   1HG2  ILE 119          1HG2      ILE 119 -14.451   5.829   1.090
  824   2HG2  ILE 119          2HG2      ILE 119 -13.987   4.188   0.639
  825   3HG2  ILE 119          3HG2      ILE 119 -14.111   5.440  -0.597
  826   1HD1  ILE 119          1HD1      ILE 119 -18.094   2.353   0.896
  827   2HD1  ILE 119          2HD1      ILE 119 -17.017   2.496  -0.494
  828   3HD1  ILE 119          3HD1      ILE 119 -16.501   1.594   0.931
  829    H    ASP 120           H        ASP 120 -17.042   7.769  -1.665
  830    HA   ASP 120           HA       ASP 120 -19.169   6.319  -3.111
  831   1HB   ASP 120          2HB       ASP 120 -20.078   8.347  -2.199
  832   2HB   ASP 120          1HB       ASP 120 -18.708   9.289  -2.782
  833    H    ASP 121           H        ASP 121 -16.160   8.068  -3.320
  834    HA   ASP 121           HA       ASP 121 -16.022   7.969  -6.205
  835   1HB   ASP 121          2HB       ASP 121 -14.895   9.700  -4.692
  836   2HB   ASP 121          1HB       ASP 121 -13.719   8.446  -4.314
  837    H    GLU 122           H        GLU 122 -15.285   6.352  -7.398
  838    HA   GLU 122           HA       GLU 122 -14.464   4.341  -8.039
  839   1HB   GLU 122          2HB       GLU 122 -12.511   5.365  -6.152
  840   2HB   GLU 122          1HB       GLU 122 -12.555   3.607  -6.144
  841   1HG   GLU 122          2HG       GLU 122 -12.419   5.097  -8.727
  842   2HG   GLU 122          1HG       GLU 122 -10.967   4.842  -7.762
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -24.324  -3.054   4.393
    2   2H    GLY   1          2H        GLY   1 -23.950  -4.358   5.413
    3   3H    GLY   1          3H        GLY   1 -24.957  -4.595   4.071
    4   1HA   GLY   1          2HA       GLY   1 -22.094  -3.834   3.956
    5   2HA   GLY   1          1HA       GLY   1 -22.729  -5.448   3.664
    6    H    SER   2           H        SER   2 -22.061  -2.388   2.342
    7    HA   SER   2           HA       SER   2 -23.304  -3.205  -0.204
    8   1HB   SER   2          2HB       SER   2 -22.897  -0.329   0.103
    9   2HB   SER   2          1HB       SER   2 -24.338  -1.212  -0.405
   10    HG   SER   2           HG       SER   2 -25.109  -0.820   1.498
   11    H    LEU   3           H        LEU   3 -20.517  -3.206   1.207
   12    HA   LEU   3           HA       LEU   3 -18.337  -3.017   0.629
   13   1HB   LEU   3          2HB       LEU   3 -19.712  -3.832  -1.703
   14   2HB   LEU   3          1HB       LEU   3 -18.547  -2.624  -2.208
   15    HG   LEU   3           HG       LEU   3 -17.857  -5.113  -2.224
   16   1HD1  LEU   3          1HD1      LEU   3 -15.556  -4.314  -1.141
   17   2HD1  LEU   3          2HD1      LEU   3 -16.099  -3.782  -2.734
   18   3HD1  LEU   3          3HD1      LEU   3 -16.335  -2.741  -1.329
   19   1HD2  LEU   3          1HD2      LEU   3 -16.798  -5.797  -0.058
   20   2HD2  LEU   3          2HD2      LEU   3 -17.672  -4.474   0.712
   21   3HD2  LEU   3          3HD2      LEU   3 -18.561  -5.789  -0.055
   22    H    SER   4           H        SER   4 -19.537  -0.689   1.445
   23    HA   SER   4           HA       SER   4 -18.933   1.417  -0.419
   24   1HB   SER   4          2HB       SER   4 -19.634   1.814   2.482
   25   2HB   SER   4          1HB       SER   4 -19.979   2.869   1.108
   26    HG   SER   4           HG       SER   4 -21.598   1.135   2.136
   27    H    TRP   5           H        TRP   5 -17.070  -0.379   1.642
   28    HA   TRP   5           HA       TRP   5 -15.281   1.762   2.413
   29   1HB   TRP   5          2HB       TRP   5 -13.856  -0.026   3.357
   30   2HB   TRP   5          1HB       TRP   5 -15.493  -0.060   3.989
   31    HD1  TRP   5           HD       TRP   5 -15.001  -1.700   0.584
   32    HE1  TRP   5           1HE      TRP   5 -15.159  -4.257   0.866
   33    HE3  TRP   5           3HE      TRP   5 -14.974  -1.949   5.673
   34    HZ2  TRP   5           2HZ      TRP   5 -15.269  -6.130   2.979
   35    HZ3  TRP   5           3HZ      TRP   5 -15.114  -4.154   6.756
   36    HH2  TRP   5           HH       TRP   5 -15.255  -6.205   5.434
   37    H    LYS   6           H        LYS   6 -12.892   1.416   1.884
   38    HA   LYS   6           HA       LYS   6 -12.779   1.120  -1.008
   39   1HB   LYS   6          2HB       LYS   6 -11.324   2.658   0.995
   40   2HB   LYS   6          1HB       LYS   6 -10.267   1.923  -0.204
   41   1HG   LYS   6          2HG       LYS   6 -10.715   3.915  -1.217
   42   2HG   LYS   6          1HG       LYS   6 -12.012   2.930  -1.892
   43   1HD   LYS   6          2HD       LYS   6 -13.631   3.925  -0.558
   44   2HD   LYS   6          1HD       LYS   6 -12.454   4.466   0.640
   45   1HE   LYS   6          2HE       LYS   6 -11.531   5.950  -1.246
   46   2HE   LYS   6          1HE       LYS   6 -13.058   5.624  -2.061
   47   1HZ   LYS   6          1HZ       LYS   6 -12.521   7.500  -0.036
   48   2HZ   LYS   6          2HZ       LYS   6 -13.638   6.365   0.569
   49   3HZ   LYS   6          3HZ       LYS   6 -13.980   7.211  -0.857
   50    H    ARG   7           H        ARG   7 -12.128  -0.638   1.702
   51    HA   ARG   7           HA       ARG   7 -11.370  -2.721   2.059
   52   1HB   ARG   7          2HB       ARG   7 -12.142  -4.029   0.443
   53   2HB   ARG   7          1HB       ARG   7 -12.171  -2.665  -0.657
   54   1HG   ARG   7          2HG       ARG   7 -10.716  -3.771  -1.903
   55   2HG   ARG   7          1HG       ARG   7  -9.517  -3.476  -0.643
   56   1HD   ARG   7          2HD       ARG   7 -11.399  -5.807  -0.530
   57   2HD   ARG   7          1HD       ARG   7  -9.873  -5.884  -1.408
   58    HE   ARG   7           HE       ARG   7  -8.777  -5.359   0.749
   59   1HH1  ARG   7          2HH1      ARG   7 -12.049  -6.603   0.789
   60   2HH1  ARG   7          1HH1      ARG   7 -11.868  -7.388   2.335
   61   1HH2  ARG   7          2HH2      ARG   7  -8.512  -6.408   2.736
   62   2HH2  ARG   7          1HH2      ARG   7  -9.843  -7.268   3.452
   63    H    CYS   8           H        CYS   8  -9.591  -2.723   3.128
   64    HA   CYS   8           HA       CYS   8  -7.139  -1.639   2.263
   65   1HB   CYS   8          2HB       CYS   8  -8.026  -1.826   4.651
   66   2HB   CYS   8          1HB       CYS   8  -7.551  -3.521   4.591
   67    H    ALA   9           H        ALA   9  -5.139  -2.719   2.070
   68    HA   ALA   9           HA       ALA   9  -5.328  -5.540   1.245
   69   1HB   ALA   9          1HB       ALA   9  -3.027  -3.941   0.306
   70   2HB   ALA   9          2HB       ALA   9  -3.967  -5.178  -0.528
   71   3HB   ALA   9          3HB       ALA   9  -4.594  -3.537  -0.394
   72    H    GLY  10           H        GLY  10  -4.668  -3.858   3.810
   73   1HA   GLY  10          1HA       GLY  10  -2.053  -5.110   4.348
   74   2HA   GLY  10          2HA       GLY  10  -2.648  -3.650   5.122
   75    H    CYS  11           H        CYS  11  -5.271  -4.612   5.761
   76    HA   CYS  11           HA       CYS  11  -4.539  -6.602   7.804
   77   1HB   CYS  11          2HB       CYS  11  -6.099  -5.431   9.325
   78   2HB   CYS  11          1HB       CYS  11  -4.772  -4.401   8.799
   79    H    GLY  12           H        GLY  12  -7.652  -5.696   8.259
   80   1HA   GLY  12          1HA       GLY  12  -8.676  -8.189   7.170
   81   2HA   GLY  12          2HA       GLY  12  -9.549  -7.058   8.196
   82    H    GLY  13           H        GLY  13  -9.111  -4.707   6.678
   83   1HA   GLY  13          1HA       GLY  13  -9.333  -4.321   4.170
   84   2HA   GLY  13          2HA       GLY  13 -10.746  -5.350   4.305
   85    H    LYS  14           H        LYS  14 -10.937  -3.804   7.093
   86    HA   LYS  14           HA       LYS  14 -12.798  -1.861   6.003
   87   1HB   LYS  14          2HB       LYS  14 -13.408  -3.293   7.954
   88   2HB   LYS  14          1HB       LYS  14 -12.166  -2.480   8.896
   89   1HG   LYS  14          2HG       LYS  14 -13.562  -0.842   9.402
   90   2HG   LYS  14          1HG       LYS  14 -13.874  -0.529   7.695
   91   1HD   LYS  14          2HD       LYS  14 -15.326  -2.795   8.110
   92   2HD   LYS  14          1HD       LYS  14 -15.477  -1.984   9.670
   93   1HE   LYS  14          2HE       LYS  14 -16.162   0.079   8.451
   94   2HE   LYS  14          1HE       LYS  14 -16.171  -0.862   6.962
   95   1HZ   LYS  14          1HZ       LYS  14 -17.691  -2.026   9.125
   96   2HZ   LYS  14          2HZ       LYS  14 -18.099  -1.831   7.491
   97   3HZ   LYS  14          3HZ       LYS  14 -18.290  -0.539   8.572
   98    H    ILE  15           H        ILE  15 -11.219  -0.486   5.021
   99    HA   ILE  15           HA       ILE  15  -9.217   0.856   6.527
  100    HB   ILE  15           HB       ILE  15 -10.490   2.075   4.095
  101   1HG1  ILE  15          2HG1      ILE  15  -8.653  -0.321   4.153
  102   1HG2  ILE  15          1HG2      ILE  15  -8.059   2.423   5.635
  103   2HG2  ILE  15          2HG2      ILE  15  -7.736   2.209   3.912
  104   3HG2  ILE  15          3HG2      ILE  15  -8.818   3.493   4.454
  105   1HD1  ILE  15          1HD1      ILE  15  -9.054   1.714   2.023
  106   2HD1  ILE  15          2HD1      ILE  15  -7.598   0.832   2.486
  107   3HD1  ILE  15          3HD1      ILE  15  -8.872   0.019   1.580
  108    H    ALA  16           H        ALA  16  -9.193   3.047   7.155
  109    HA   ALA  16           HA       ALA  16 -11.793   4.222   7.829
  110   1HB   ALA  16          1HB       ALA  16 -10.702   5.156   9.543
  111   2HB   ALA  16          2HB       ALA  16  -9.214   4.366   9.022
  112   3HB   ALA  16          3HB       ALA  16  -9.617   5.973   8.416
  113    H    ASP  17           H        ASP  17 -12.213   4.217   5.536
  114    HA   ASP  17           HA       ASP  17 -10.555   5.266   3.628
  115   1HB   ASP  17          2HB       ASP  17 -13.391   5.653   3.013
  116   2HB   ASP  17          1HB       ASP  17 -12.154   4.771   2.130
  117    H    ARG  18           H        ARG  18 -12.100   7.068   5.961
  118    HA   ARG  18           HA       ARG  18 -12.566   9.485   4.522
  119   1HB   ARG  18          2HB       ARG  18 -13.090  10.374   6.536
  120   2HB   ARG  18          1HB       ARG  18 -13.075   8.702   7.076
  121   1HG   ARG  18          2HG       ARG  18 -10.603   9.116   7.592
  122   2HG   ARG  18          1HG       ARG  18 -10.999  10.836   7.412
  123   1HD   ARG  18          2HD       ARG  18 -11.109   9.606   9.760
  124   2HD   ARG  18          1HD       ARG  18 -12.252  10.873   9.320
  125    HE   ARG  18           HE       ARG  18 -13.857   9.099   8.775
  126   1HH1  ARG  18          2HH1      ARG  18 -11.076   8.208  10.731
  127   2HH1  ARG  18          1HH1      ARG  18 -11.885   6.862  11.481
  128   1HH2  ARG  18          2HH2      ARG  18 -14.911   7.334   9.777
  129   2HH2  ARG  18          1HH2      ARG  18 -14.061   6.390  10.960
  130    H    PHE  19           H        PHE  19  -9.860   7.701   5.225
  131    HA   PHE  19           HA       PHE  19  -8.027   9.732   4.322
  132   1HB   PHE  19          2HB       PHE  19  -8.159   8.868   7.179
  133   2HB   PHE  19          1HB       PHE  19  -6.588   9.156   6.451
  134    HD1  PHE  19           1HD      PHE  19  -9.029  10.595   8.370
  135    HD2  PHE  19           2HD      PHE  19  -6.623  11.442   4.962
  136    HE1  PHE  19           1HE      PHE  19  -9.233  12.996   8.831
  137    HE2  PHE  19           2HE      PHE  19  -6.811  13.838   5.429
  138    HZ   PHE  19           HZ       PHE  19  -8.119  14.628   7.366
  139    H    LEU  20           H        LEU  20  -8.225   7.802   2.807
  140    HA   LEU  20           HA       LEU  20  -6.600   5.548   3.746
  141   1HB   LEU  20          2HB       LEU  20  -7.845   4.148   2.498
  142   2HB   LEU  20          1HB       LEU  20  -9.028   5.425   2.688
  143    HG   LEU  20           HG       LEU  20  -7.380   5.892   0.362
  144   1HD1  LEU  20          1HD1      LEU  20  -9.043   3.405   0.213
  145   2HD1  LEU  20          2HD1      LEU  20  -7.878   4.031  -0.953
  146   3HD1  LEU  20          3HD1      LEU  20  -7.316   3.355   0.574
  147   1HD2  LEU  20          1HD2      LEU  20 -10.257   5.224   0.179
  148   2HD2  LEU  20          2HD2      LEU  20  -9.810   6.621   1.161
  149   3HD2  LEU  20          3HD2      LEU  20  -9.345   6.554  -0.539
  150    H    LEU  21           H        LEU  21  -5.374   4.415   1.998
  151    HA   LEU  21           HA       LEU  21  -3.903   6.370   0.357
  152   1HB   LEU  21          2HB       LEU  21  -2.826   5.169   2.445
  153   2HB   LEU  21          1HB       LEU  21  -2.666   3.828   1.329
  154    HG   LEU  21           HG       LEU  21  -1.662   6.424   0.347
  155   1HD1  LEU  21          1HD1      LEU  21  -1.068   6.064   2.887
  156   2HD1  LEU  21          2HD1      LEU  21   0.126   4.959   2.205
  157   3HD1  LEU  21          3HD1      LEU  21   0.128   6.658   1.733
  158   1HD2  LEU  21          1HD2      LEU  21  -1.508   4.212  -0.837
  159   2HD2  LEU  21          2HD2      LEU  21   0.021   5.066  -0.634
  160   3HD2  LEU  21          3HD2      LEU  21  -0.375   3.705   0.416
  161    H    TYR  22           H        TYR  22  -3.196   5.681  -1.688
  162    HA   TYR  22           HA       TYR  22  -4.394   3.162  -2.663
  163   1HB   TYR  22          2HB       TYR  22  -3.819   5.472  -4.497
  164   2HB   TYR  22          1HB       TYR  22  -4.949   4.143  -4.718
  165    HD1  TYR  22           1HD      TYR  22  -4.491   7.500  -3.450
  166    HD2  TYR  22           2HD      TYR  22  -7.118   4.160  -3.475
  167    HE1  TYR  22           1HE      TYR  22  -6.328   8.952  -2.707
  168    HE2  TYR  22           2HE      TYR  22  -8.965   5.602  -2.728
  169    HH   TYR  22           HH       TYR  22  -8.515   8.702  -1.510
  170    H    ALA  23           H        ALA  23  -2.648   1.807  -2.580
  171    HA   ALA  23           HA       ALA  23  -0.312   2.585  -4.189
  172   1HB   ALA  23          1HB       ALA  23   0.334   2.969  -1.895
  173   2HB   ALA  23          2HB       ALA  23  -0.201   1.351  -1.442
  174   3HB   ALA  23          3HB       ALA  23   1.184   1.553  -2.517
  175    H    MET  24           H        MET  24   0.643   0.981  -5.348
  176    HA   MET  24           HA       MET  24   0.895  -0.994  -6.444
  177   1HB   MET  24          2HB       MET  24  -0.071  -2.035  -3.787
  178   2HB   MET  24          1HB       MET  24   0.359  -3.109  -5.109
  179   1HG   MET  24          2HG       MET  24   2.597  -2.620  -4.960
  180   2HG   MET  24          1HG       MET  24   2.313  -1.046  -4.220
  181   1HE   MET  24          1HE       MET  24   4.442  -3.770  -2.623
  182   2HE   MET  24          2HE       MET  24   3.178  -4.997  -2.530
  183   3HE   MET  24          3HE       MET  24   3.523  -4.200  -4.065
  184    H    ASP  25           H        ASP  25  -1.590   0.501  -6.666
  185    HA   ASP  25           HA       ASP  25  -3.607   0.366  -7.686
  186   1HB   ASP  25          2HB       ASP  25  -2.279  -2.081  -8.584
  187   2HB   ASP  25          1HB       ASP  25  -4.036  -2.204  -8.573
  188    H    SER  26           H        SER  26  -3.027  -0.645  -4.855
  189    HA   SER  26           HA       SER  26  -5.728  -1.719  -4.435
  190   1HB   SER  26          2HB       SER  26  -3.693  -2.469  -2.425
  191   2HB   SER  26          1HB       SER  26  -5.019  -3.419  -3.095
  192    HG   SER  26           HG       SER  26  -3.002  -2.827  -4.883
  193    H    TYR  27           H        TYR  27  -6.509  -1.270  -2.206
  194    HA   TYR  27           HA       TYR  27  -5.618   1.417  -1.452
  195   1HB   TYR  27          2HB       TYR  27  -8.216  -0.013  -0.859
  196   2HB   TYR  27          1HB       TYR  27  -7.828   1.640  -0.387
  197    HD1  TYR  27           1HD      TYR  27 -10.200   0.843  -2.044
  198    HD2  TYR  27           2HD      TYR  27  -6.272   2.033  -3.179
  199    HE1  TYR  27           1HE      TYR  27 -11.062   1.611  -4.216
  200    HE2  TYR  27           2HE      TYR  27  -7.129   2.808  -5.348
  201    HH   TYR  27           HH       TYR  27 -10.514   3.073  -6.007
  202    H    TRP  28           H        TRP  28  -5.441   1.954   0.787
  203    HA   TRP  28           HA       TRP  28  -4.724  -0.308   2.513
  204   1HB   TRP  28          2HB       TRP  28  -2.909   1.950   1.641
  205   2HB   TRP  28          1HB       TRP  28  -2.548   0.870   2.979
  206    HD1  TRP  28           HD       TRP  28  -2.795   0.909  -0.846
  207    HE1  TRP  28           1HE      TRP  28  -1.451  -1.083  -1.762
  208    HE3  TRP  28           3HE      TRP  28  -1.718  -1.428   3.567
  209    HZ2  TRP  28           2HZ      TRP  28  -0.104  -3.335  -0.742
  210    HZ3  TRP  28           3HZ      TRP  28  -0.393  -3.501   3.508
  211    HH2  TRP  28           HH       TRP  28   0.392  -4.438   1.400
  212    H    HIS  29           H        HIS  29  -3.856   0.503   4.613
  213    HA   HIS  29           HA       HIS  29  -5.461   2.726   5.665
  214   1HB   HIS  29          2HB       HIS  29  -4.230   0.290   6.801
  215   2HB   HIS  29          1HB       HIS  29  -4.108   1.732   7.800
  216    HD2  HIS  29           2HD      HIS  29  -6.859   2.982   8.042
  217    HE1  HIS  29           1HE      HIS  29  -8.441  -0.941   8.290
  218    HE2  HIS  29           2HE      HIS  29  -8.786   1.488   8.956
  219    H    SER  30           H        SER  30  -4.251   4.050   7.334
  220    HA   SER  30           HA       SER  30  -1.861   5.181   6.252
  221   1HB   SER  30          2HB       SER  30  -2.312   5.809   9.034
  222   2HB   SER  30          1HB       SER  30  -2.466   6.852   7.621
  223    HG   SER  30           HG       SER  30  -4.438   6.383   8.971
  224    H    ARG  31           H        ARG  31  -2.678   2.937   8.805
  225    HA   ARG  31           HA       ARG  31   0.062   2.664   9.695
  226   1HB   ARG  31          2HB       ARG  31  -1.304   2.417  11.516
  227   2HB   ARG  31          1HB       ARG  31  -2.600   1.685  10.585
  228   1HG   ARG  31          2HG       ARG  31  -0.195   0.017  10.812
  229   2HG   ARG  31          1HG       ARG  31  -0.996   0.369  12.345
  230   1HD   ARG  31          2HD       ARG  31  -3.168  -0.282  11.061
  231   2HD   ARG  31          1HD       ARG  31  -2.055  -1.076   9.948
  232    HE   ARG  31           HE       ARG  31  -1.900  -1.698  12.809
  233   1HH1  ARG  31          2HH1      ARG  31  -2.753  -2.686   9.546
  234   2HH1  ARG  31          1HH1      ARG  31  -2.734  -4.384   9.934
  235   1HH2  ARG  31          2HH2      ARG  31  -1.921  -3.923  13.312
  236   2HH2  ARG  31          1HH2      ARG  31  -2.309  -5.085  12.074
  237    H    CYS  32           H        CYS  32  -2.197   0.909   7.657
  238    HA   CYS  32           HA       CYS  32  -0.671  -1.500   7.671
  239   1HB   CYS  32          2HB       CYS  32  -2.976  -0.586   5.952
  240   2HB   CYS  32          1HB       CYS  32  -2.258  -2.194   5.855
  241    H    LEU  33           H        LEU  33  -0.783   1.320   5.614
  242    HA   LEU  33           HA       LEU  33   1.054   0.133   3.694
  243   1HB   LEU  33          2HB       LEU  33  -0.724   2.089   3.329
  244   2HB   LEU  33          1HB       LEU  33   0.630   3.079   3.841
  245    HG   LEU  33           HG       LEU  33   0.199   2.580   1.292
  246   1HD1  LEU  33          1HD1      LEU  33   2.074   3.747   1.227
  247   2HD1  LEU  33          2HD1      LEU  33   2.490   3.230   2.861
  248   3HD1  LEU  33          3HD1      LEU  33   2.984   2.256   1.476
  249   1HD2  LEU  33          1HD2      LEU  33   1.647   0.704   0.534
  250   2HD2  LEU  33          2HD2      LEU  33   1.739   0.163   2.211
  251   3HD2  LEU  33          3HD2      LEU  33   0.185   0.194   1.377
  252    H    LYS  34           H        LYS  34   2.465  -0.501   5.410
  253    HA   LYS  34           HA       LYS  34   4.049   1.696   6.568
  254   1HB   LYS  34          2HB       LYS  34   4.573  -0.025   8.355
  255   2HB   LYS  34          1HB       LYS  34   2.925   0.588   8.327
  256   1HG   LYS  34          2HG       LYS  34   2.222  -1.505   8.289
  257   2HG   LYS  34          1HG       LYS  34   2.901  -1.648   6.668
  258   1HD   LYS  34          2HD       LYS  34   5.116  -2.158   7.863
  259   2HD   LYS  34          1HD       LYS  34   4.121  -2.430   9.294
  260   1HE   LYS  34          2HE       LYS  34   3.615  -3.799   6.663
  261   2HE   LYS  34          1HE       LYS  34   4.679  -4.469   7.899
  262   1HZ   LYS  34          1HZ       LYS  34   2.223  -5.180   7.843
  263   2HZ   LYS  34          2HZ       LYS  34   1.921  -3.685   8.584
  264   3HZ   LYS  34          3HZ       LYS  34   2.934  -4.817   9.340
  265    H    CYS  35           H        CYS  35   6.139   1.281   7.105
  266    HA   CYS  35           HA       CYS  35   7.752   0.402   5.017
  267   1HB   CYS  35          2HB       CYS  35   8.073   1.279   7.838
  268   2HB   CYS  35          1HB       CYS  35   9.453   0.620   6.994
  269    H    SER  36           H        SER  36   9.501  -1.211   5.234
  270    HA   SER  36           HA       SER  36   8.492  -3.690   6.391
  271   1HB   SER  36          2HB       SER  36  11.088  -3.649   4.951
  272   2HB   SER  36          1HB       SER  36   9.756  -4.799   4.847
  273    HG   SER  36           HG       SER  36   8.794  -2.567   3.905
  274    H    SER  37           H        SER  37  10.744  -1.199   7.034
  275    HA   SER  37           HA       SER  37  12.008  -2.840   9.120
  276   1HB   SER  37          2HB       SER  37  13.308  -0.305   8.283
  277   2HB   SER  37          1HB       SER  37  14.030  -1.855   8.718
  278    HG   SER  37           HG       SER  37  13.585  -0.871   6.293
  279    H    CYS  38           H        CYS  38  11.383   0.627   8.472
  280    HA   CYS  38           HA       CYS  38  11.320   1.432  11.139
  281   1HB   CYS  38          2HB       CYS  38   9.628   2.761   9.041
  282   2HB   CYS  38          1HB       CYS  38  10.548   3.498  10.348
  283    H    GLN  39           H        GLN  39   8.765   0.279   9.027
  284    HA   GLN  39           HA       GLN  39   6.570  -0.230   9.312
  285   1HB   GLN  39          2HB       GLN  39   7.572  -1.194  11.994
  286   2HB   GLN  39          1HB       GLN  39   6.072  -1.678  11.207
  287   1HG   GLN  39          2HG       GLN  39   7.485  -2.545   9.311
  288   2HG   GLN  39          1HG       GLN  39   8.888  -2.281  10.346
  289   1HE2  GLN  39          1HE2      GLN  39   9.550  -4.224  10.955
  290   2HE2  GLN  39          2HE2      GLN  39   8.550  -5.463  11.645
  291    H    ALA  40           H        ALA  40   7.069   2.448   9.884
  292    HA   ALA  40           HA       ALA  40   5.581   3.073  12.299
  293   1HB   ALA  40          1HB       ALA  40   7.695   4.295  11.214
  294   2HB   ALA  40          2HB       ALA  40   6.407   5.221  10.438
  295   3HB   ALA  40          3HB       ALA  40   6.501   5.142  12.198
  296    H    GLN  41           H        GLN  41   4.585   5.569  11.045
  297    HA   GLN  41           HA       GLN  41   2.225   4.429   9.723
  298   1HB   GLN  41          2HB       GLN  41   2.343   6.231  11.762
  299   2HB   GLN  41          1HB       GLN  41   2.252   7.307  10.374
  300   1HG   GLN  41          2HG       GLN  41   0.069   7.005  10.321
  301   2HG   GLN  41          1HG       GLN  41   0.330   5.298   9.960
  302   1HE2  GLN  41          1HE2      GLN  41   0.160   7.593  12.643
  303   2HE2  GLN  41          2HE2      GLN  41  -0.538   6.479  13.773
  304    H    LEU  42           H        LEU  42   3.929   4.131   7.990
  305    HA   LEU  42           HA       LEU  42   5.024   6.258   6.561
  306   1HB   LEU  42          2HB       LEU  42   5.708   3.895   6.351
  307   2HB   LEU  42          1HB       LEU  42   4.192   3.536   5.550
  308    HG   LEU  42           HG       LEU  42   4.874   5.135   3.729
  309   1HD1  LEU  42          1HD1      LEU  42   6.608   6.240   5.265
  310   2HD1  LEU  42          2HD1      LEU  42   7.649   4.881   4.832
  311   3HD1  LEU  42          3HD1      LEU  42   7.045   5.964   3.577
  312   1HD2  LEU  42          1HD2      LEU  42   6.739   2.810   4.179
  313   2HD2  LEU  42          2HD2      LEU  42   5.088   2.670   3.580
  314   3HD2  LEU  42          3HD2      LEU  42   6.296   3.537   2.631
  315    H    GLY  43           H        GLY  43   1.873   4.748   6.386
  316   1HA   GLY  43          1HA       GLY  43   1.088   6.130   3.991
  317   2HA   GLY  43          2HA       GLY  43   0.052   5.167   5.031
  318    H    ASP  44           H        ASP  44   1.829   7.588   6.671
  319    HA   ASP  44           HA       ASP  44  -0.427   9.464   6.462
  320   1HB   ASP  44          2HB       ASP  44  -0.481   7.976   8.552
  321   2HB   ASP  44          1HB       ASP  44   0.927   8.883   9.089
  322    H    ILE  45           H        ILE  45   2.634   9.147   5.725
  323    HA   ILE  45           HA       ILE  45   3.604  11.613   6.942
  324    HB   ILE  45           HB       ILE  45   5.764  11.127   5.952
  325   1HG1  ILE  45          2HG1      ILE  45   4.657   8.543   4.871
  326   1HG2  ILE  45          1HG2      ILE  45   5.796   8.591   6.945
  327   2HG2  ILE  45          2HG2      ILE  45   5.900  10.063   7.913
  328   3HG2  ILE  45          3HG2      ILE  45   4.346   9.257   7.697
  329   1HD1  ILE  45          1HD1      ILE  45   6.894   9.816   3.519
  330   2HD1  ILE  45          2HD1      ILE  45   7.238   9.368   5.188
  331   3HD1  ILE  45          3HD1      ILE  45   6.681   8.146   4.046
  332    H    GLY  46           H        GLY  46   2.417  10.431   3.896
  333   1HA   GLY  46          1HA       GLY  46   1.424  11.856   2.302
  334   2HA   GLY  46          2HA       GLY  46   2.385  13.189   2.929
  335    H    THR  47           H        THR  47   4.863  11.591   2.817
  336    HA   THR  47           HA       THR  47   5.589  12.227   0.115
  337    HB   THR  47           HB       THR  47   7.483  10.646   1.732
  338    HG1  THR  47           1HG      THR  47   6.995  13.283   2.624
  339   1HG2  THR  47          1HG2      THR  47   8.805  11.713   0.287
  340   2HG2  THR  47          2HG2      THR  47   8.487  13.196   1.187
  341   3HG2  THR  47          3HG2      THR  47   7.492  12.780  -0.210
  342    H    SER  48           H        SER  48   6.315  10.776  -1.479
  343    HA   SER  48           HA       SER  48   4.952   8.274  -1.493
  344   1HB   SER  48          2HB       SER  48   7.013   9.018  -3.531
  345   2HB   SER  48          1HB       SER  48   5.502   8.139  -3.748
  346    HG   SER  48           HG       SER  48   5.819  10.574  -4.331
  347    H    SER  49           H        SER  49   5.722   6.248  -1.299
  348    HA   SER  49           HA       SER  49   8.381   5.958  -0.168
  349   1HB   SER  49          2HB       SER  49   7.315   3.536   0.143
  350   2HB   SER  49          1HB       SER  49   6.858   4.875   1.195
  351    HG   SER  49           HG       SER  49   5.097   3.626   0.223
  352    H    TYR  50           H        TYR  50   9.018   3.380  -0.734
  353    HA   TYR  50           HA       TYR  50   9.154   3.221  -3.670
  354   1HB   TYR  50          2HB       TYR  50  11.348   3.323  -1.671
  355   2HB   TYR  50          1HB       TYR  50  11.528   2.150  -2.970
  356    HD1  TYR  50           1HD      TYR  50   9.964   4.032  -4.992
  357    HD2  TYR  50           2HD      TYR  50  13.293   4.568  -2.399
  358    HE1  TYR  50           1HE      TYR  50  10.837   5.774  -6.480
  359    HE2  TYR  50           2HE      TYR  50  14.171   6.319  -3.882
  360    HH   TYR  50           HH       TYR  50  12.859   6.882  -7.034
  361    H    THR  51           H        THR  51   9.082   1.114  -4.503
  362    HA   THR  51           HA       THR  51   8.378  -0.936  -2.507
  363    HB   THR  51           HB       THR  51   7.611  -1.636  -5.192
  364    HG1  THR  51           1HG      THR  51   7.556   0.647  -5.503
  365   1HG2  THR  51          1HG2      THR  51   5.409  -0.960  -3.488
  366   2HG2  THR  51          2HG2      THR  51   6.637  -1.814  -2.554
  367   3HG2  THR  51          3HG2      THR  51   5.961  -2.551  -4.006
  368    H    LYS  52           H        LYS  52   9.659  -2.644  -2.282
  369    HA   LYS  52           HA       LYS  52  11.134  -3.718  -4.547
  370   1HB   LYS  52          2HB       LYS  52  12.407  -2.343  -2.243
  371   2HB   LYS  52          1HB       LYS  52  13.143  -3.851  -2.766
  372   1HG   LYS  52          2HG       LYS  52  12.540  -1.735  -4.780
  373   2HG   LYS  52          1HG       LYS  52  13.952  -1.585  -3.730
  374   1HD   LYS  52          2HD       LYS  52  14.445  -4.015  -4.479
  375   2HD   LYS  52          1HD       LYS  52  13.358  -3.641  -5.816
  376   1HE   LYS  52          2HE       LYS  52  14.760  -1.669  -6.340
  377   2HE   LYS  52          1HE       LYS  52  15.872  -2.154  -5.061
  378   1HZ   LYS  52          1HZ       LYS  52  16.398  -4.141  -6.231
  379   2HZ   LYS  52          2HZ       LYS  52  16.550  -2.857  -7.325
  380   3HZ   LYS  52          3HZ       LYS  52  15.188  -3.868  -7.389
  381    H    SER  53           H        SER  53  11.668  -5.890  -4.293
  382    HA   SER  53           HA       SER  53  11.423  -8.020  -3.546
  383   1HB   SER  53          2HB       SER  53  11.409  -6.835  -0.758
  384   2HB   SER  53          1HB       SER  53  11.900  -8.466  -1.231
  385    HG   SER  53           HG       SER  53  13.608  -7.447  -2.469
  386    H    GLY  54           H        GLY  54   9.045  -6.202  -3.907
  387   1HA   GLY  54          1HA       GLY  54   6.758  -6.529  -3.842
  388   2HA   GLY  54          2HA       GLY  54   7.037  -8.029  -2.965
  389    H    MET  55           H        MET  55   8.746  -5.798  -1.324
  390    HA   MET  55           HA       MET  55   6.628  -5.496   0.662
  391   1HB   MET  55          2HB       MET  55   9.512  -4.696   1.011
  392   2HB   MET  55          1HB       MET  55   8.326  -5.059   2.255
  393   1HG   MET  55          2HG       MET  55   8.431  -7.375   1.818
  394   2HG   MET  55          1HG       MET  55   9.316  -7.124   0.315
  395   1HE   MET  55          1HE       MET  55  12.709  -5.692   1.720
  396   2HE   MET  55          2HE       MET  55  11.436  -5.396   0.538
  397   3HE   MET  55          3HE       MET  55  11.356  -4.634   2.128
  398    H    ILE  56           H        ILE  56   6.753  -3.400   1.922
  399    HA   ILE  56           HA       ILE  56   6.897  -1.154   0.025
  400    HB   ILE  56           HB       ILE  56   5.214  -1.284   2.531
  401   1HG1  ILE  56          2HG1      ILE  56   3.833  -1.240  -0.055
  402   1HG2  ILE  56          1HG2      ILE  56   5.555   0.965   2.080
  403   2HG2  ILE  56          2HG2      ILE  56   5.543   0.720   0.334
  404   3HG2  ILE  56          3HG2      ILE  56   4.037   0.623   1.248
  405   1HD1  ILE  56          1HD1      ILE  56   2.949  -3.435   1.294
  406   2HD1  ILE  56          2HD1      ILE  56   3.441  -2.359   2.601
  407   3HD1  ILE  56          3HD1      ILE  56   2.263  -1.816   1.406
  408    H    LEU  57           H        LEU  57   8.531   0.164   0.376
  409    HA   LEU  57           HA       LEU  57   9.547   0.486   3.129
  410   1HB   LEU  57          2HB       LEU  57  11.177   0.583   0.588
  411   2HB   LEU  57          1HB       LEU  57  11.789   0.702   2.224
  412    HG   LEU  57           HG       LEU  57  10.393  -1.758   2.011
  413   1HD1  LEU  57          1HD1      LEU  57  12.134  -2.675   0.261
  414   2HD1  LEU  57          2HD1      LEU  57  10.574  -2.028  -0.248
  415   3HD1  LEU  57          3HD1      LEU  57  12.023  -1.029  -0.365
  416   1HD2  LEU  57          1HD2      LEU  57  13.312  -1.048   2.232
  417   2HD2  LEU  57          2HD2      LEU  57  12.189  -1.370   3.554
  418   3HD2  LEU  57          3HD2      LEU  57  12.658  -2.671   2.459
  419    H    CYS  58           H        CYS  58  10.684   2.582   3.444
  420    HA   CYS  58           HA       CYS  58   9.397   4.736   1.984
  421   1HB   CYS  58          2HB       CYS  58  10.724   6.210   3.522
  422   2HB   CYS  58          1HB       CYS  58   9.620   5.125   4.352
  423    H    ARG  59           H        ARG  59  11.128   6.583   1.446
  424    HA   ARG  59           HA       ARG  59  12.874   5.459  -0.537
  425   1HB   ARG  59          2HB       ARG  59  13.020   8.311   0.386
  426   2HB   ARG  59          1HB       ARG  59  13.299   7.653  -1.221
  427   1HG   ARG  59          2HG       ARG  59  10.573   7.315  -0.149
  428   2HG   ARG  59          1HG       ARG  59  11.067   8.968  -0.513
  429   1HD   ARG  59          2HD       ARG  59  11.571   6.816  -2.520
  430   2HD   ARG  59          1HD       ARG  59   9.940   7.471  -2.355
  431    HE   ARG  59           HE       ARG  59  12.199   8.740  -3.564
  432   1HH1  ARG  59          2HH1      ARG  59   9.213   9.395  -1.822
  433   2HH1  ARG  59          1HH1      ARG  59   9.095  11.028  -2.420
  434   1HH2  ARG  59          2HH2      ARG  59  12.001  10.853  -4.361
  435   2HH2  ARG  59          1HH2      ARG  59  10.662  11.843  -3.867
  436    H    ASN  60           H        ASN  60  13.078   6.651   2.708
  437    HA   ASN  60           HA       ASN  60  15.900   6.772   2.994
  438   1HB   ASN  60          2HB       ASN  60  14.069   7.662   4.573
  439   2HB   ASN  60          1HB       ASN  60  13.971   6.015   5.185
  440   1HD2  ASN  60          1HD2      ASN  60  14.802   6.203   7.157
  441   2HD2  ASN  60          2HD2      ASN  60  16.390   6.801   7.508
  442    H    ASP  61           H        ASP  61  13.517   4.241   3.733
  443    HA   ASP  61           HA       ASP  61  15.237   2.203   4.570
  444   1HB   ASP  61          2HB       ASP  61  12.508   2.376   3.472
  445   2HB   ASP  61          1HB       ASP  61  13.304   0.837   3.195
  446    H    TYR  62           H        TYR  62  14.059   3.013   1.350
  447    HA   TYR  62           HA       TYR  62  15.252   1.015  -0.146
  448   1HB   TYR  62          2HB       TYR  62  13.603   2.840  -0.856
  449   2HB   TYR  62          1HB       TYR  62  15.011   3.870  -1.073
  450    HD1  TYR  62           1HD      TYR  62  16.516   3.548  -2.930
  451    HD2  TYR  62           2HD      TYR  62  13.217   0.926  -2.329
  452    HE1  TYR  62           1HE      TYR  62  16.792   2.692  -5.218
  453    HE2  TYR  62           2HE      TYR  62  13.491   0.062  -4.621
  454    HH   TYR  62           HH       TYR  62  14.573   1.173  -6.887
  455    H    ILE  63           H        ILE  63  16.597   4.184   0.778
  456    HA   ILE  63           HA       ILE  63  19.023   3.844  -0.644
  457    HB   ILE  63           HB       ILE  63  18.564   5.622   1.755
  458   1HG1  ILE  63          2HG1      ILE  63  16.871   6.209   0.194
  459   1HG2  ILE  63          1HG2      ILE  63  20.920   5.092   0.571
  460   2HG2  ILE  63          2HG2      ILE  63  20.366   6.438  -0.426
  461   3HG2  ILE  63          3HG2      ILE  63  20.524   6.640   1.319
  462   1HD1  ILE  63          1HD1      ILE  63  18.508   5.139  -1.784
  463   2HD1  ILE  63          2HD1      ILE  63  16.921   5.883  -1.988
  464   3HD1  ILE  63          3HD1      ILE  63  18.382   6.858  -2.156
  465    H    ARG  64           H        ARG  64  17.969   2.766   2.480
  466    HA   ARG  64           HA       ARG  64  20.645   2.187   3.420
  467   1HB   ARG  64          2HB       ARG  64  17.889   1.906   4.499
  468   2HB   ARG  64          1HB       ARG  64  19.114   0.814   5.129
  469   1HG   ARG  64          2HG       ARG  64  19.769   2.401   6.516
  470   2HG   ARG  64          1HG       ARG  64  20.252   3.386   5.132
  471   1HD   ARG  64          2HD       ARG  64  18.765   4.761   6.278
  472   2HD   ARG  64          1HD       ARG  64  17.771   4.049   5.009
  473    HE   ARG  64           HE       ARG  64  16.894   2.511   6.703
  474   1HH1  ARG  64          2HH1      ARG  64  18.499   5.440   7.788
  475   2HH1  ARG  64          1HH1      ARG  64  17.737   5.415   9.353
  476   1HH2  ARG  64          2HH2      ARG  64  15.836   2.537   8.736
  477   2HH2  ARG  64          1HH2      ARG  64  16.200   3.805   9.870
  478    H    LEU  65           H        LEU  65  17.964   0.470   1.953
  479    HA   LEU  65           HA       LEU  65  19.252  -2.100   2.305
  480   1HB   LEU  65          2HB       LEU  65  16.697  -1.417   2.354
  481   2HB   LEU  65          1HB       LEU  65  16.814  -1.732   0.636
  482    HG   LEU  65           HG       LEU  65  17.154  -4.003   0.931
  483   1HD1  LEU  65          1HD1      LEU  65  17.972  -5.071   2.906
  484   2HD1  LEU  65          2HD1      LEU  65  19.037  -3.715   2.544
  485   3HD1  LEU  65          3HD1      LEU  65  17.844  -3.577   3.834
  486   1HD2  LEU  65          1HD2      LEU  65  15.645  -4.248   3.290
  487   2HD2  LEU  65          2HD2      LEU  65  15.108  -2.765   2.499
  488   3HD2  LEU  65          3HD2      LEU  65  15.071  -4.295   1.622
  489    H    PHE  66           H        PHE  66  18.363   0.012  -0.403
  490    HA   PHE  66           HA       PHE  66  20.171  -1.546  -2.135
  491   1HB   PHE  66          2HB       PHE  66  17.587  -0.298  -3.083
  492   2HB   PHE  66          1HB       PHE  66  18.632  -1.405  -3.964
  493    HD1  PHE  66           1HD      PHE  66  15.886  -1.091  -1.657
  494    HD2  PHE  66           2HD      PHE  66  18.756  -3.792  -3.259
  495    HE1  PHE  66           1HE      PHE  66  14.535  -2.988  -0.866
  496    HE2  PHE  66           2HE      PHE  66  17.412  -5.694  -2.469
  497    HZ   PHE  66           HZ       PHE  66  15.299  -5.293  -1.272
  498    H    GLY  67           H        GLY  67  20.899   0.748  -0.716
  499   1HA   GLY  67          1HA       GLY  67  20.548   3.094  -2.339
  500   2HA   GLY  67          2HA       GLY  67  21.562   2.952  -0.913
  501    H    ASN  68           H        ASN  68  21.617   1.211  -3.996
  502    HA   ASN  68           HA       ASN  68  24.465   1.713  -4.262
  503   1HB   ASN  68          2HB       ASN  68  23.574  -0.504  -4.874
  504   2HB   ASN  68          1HB       ASN  68  22.549   0.247  -6.093
  505   1HD2  ASN  68          1HD2      ASN  68  23.527  -1.055  -7.670
  506   2HD2  ASN  68          2HD2      ASN  68  25.100  -0.677  -8.297
  507    H    SER  69           H        SER  69  25.113   3.577  -5.049
  508    HA   SER  69           HA       SER  69  25.278   5.473  -6.281
  509   1HB   SER  69          2HB       SER  69  23.359   4.323  -8.302
  510   2HB   SER  69          1HB       SER  69  24.712   5.423  -8.571
  511    HG   SER  69           HG       SER  69  25.259   2.905  -7.477
  512    H    GLY  70           H        GLY  70  23.569   5.563  -4.195
  513   1HA   GLY  70          1HA       GLY  70  21.044   6.731  -5.079
  514   2HA   GLY  70          2HA       GLY  70  21.529   6.428  -3.417
  515    H    ALA  71           H        ALA  71  22.176   8.515  -6.204
  516    HA   ALA  71           HA       ALA  71  23.730  10.395  -4.789
  517   1HB   ALA  71          1HB       ALA  71  22.125  10.840  -7.302
  518   2HB   ALA  71          2HB       ALA  71  23.465  11.829  -6.721
  519   3HB   ALA  71          3HB       ALA  71  23.754  10.167  -7.240
  520    H    GLY  72           H        GLY  72  20.325  10.557  -5.856
  521   1HA   GLY  72          1HA       GLY  72  19.745  12.148  -3.461
  522   2HA   GLY  72          2HA       GLY  72  19.352  12.854  -5.022
  523    H    GLY  73           H        GLY  73  18.186  11.079  -6.478
  524   1HA   GLY  73          1HA       GLY  73  16.630   9.118  -6.099
  525   2HA   GLY  73          2HA       GLY  73  15.940  10.110  -4.824
  526    H    SER  74           H        SER  74  16.983  10.961  -8.099
  527    HA   SER  74           HA       SER  74  14.731  12.598  -8.563
  528   1HB   SER  74          2HB       SER  74  16.507  11.381 -10.685
  529   2HB   SER  74          1HB       SER  74  15.600  12.891 -10.771
  530    HG   SER  74           HG       SER  74  17.801  12.332  -9.048
  531    H    GLY  75           H        GLY  75  12.796  12.218  -9.473
  532   1HA   GLY  75          1HA       GLY  75  12.134  10.105 -11.196
  533   2HA   GLY  75          2HA       GLY  75  11.759   9.599  -9.554
  534    H    GLY  76           H        GLY  76   9.860   9.962 -11.651
  535   1HA   GLY  76          1HA       GLY  76   8.063  11.784 -10.280
  536   2HA   GLY  76          2HA       GLY  76   8.543  12.314 -11.884
  537    H    HIS  77           H        HIS  77   8.314   8.926 -11.349
  538    HA   HIS  77           HA       HIS  77   6.274   8.663 -13.329
  539   1HB   HIS  77          2HB       HIS  77   8.078   6.908 -11.875
  540   2HB   HIS  77          1HB       HIS  77   6.466   6.213 -12.005
  541    HD1  HIS  77           1HD      HIS  77   6.210   4.790 -14.002
  542    HD2  HIS  77           2HD      HIS  77   8.904   7.896 -14.646
  543    HE1  HIS  77           1HE      HIS  77   7.087   4.459 -16.334
  544    HE2  HIS  77           2HE      HIS  77   8.892   6.204 -16.604
  545    H    MET  78           H        MET  78   4.128   8.465 -13.092
  546    HA   MET  78           HA       MET  78   2.985   8.852 -10.466
  547   1HB   MET  78          2HB       MET  78   2.121   9.928 -12.588
  548   2HB   MET  78          1HB       MET  78   1.512   8.346 -13.055
  549   1HG   MET  78          2HG       MET  78  -0.251   9.681 -12.087
  550   2HG   MET  78          1HG       MET  78   0.105   8.295 -11.059
  551   1HE   MET  78          1HE       MET  78  -0.813  10.528  -8.222
  552   2HE   MET  78          2HE       MET  78  -1.374   9.397  -9.455
  553   3HE   MET  78          3HE       MET  78  -0.112   8.912  -8.323
  554    H    GLY  79           H        GLY  79   3.999   6.791  -9.772
  555   1HA   GLY  79          1HA       GLY  79   2.626   4.781  -8.896
  556   2HA   GLY  79          2HA       GLY  79   2.503   4.412 -10.613
  557    H    SER  80           H        SER  80   4.032   3.372  -8.047
  558    HA   SER  80           HA       SER  80   6.751   3.616  -8.664
  559   1HB   SER  80          2HB       SER  80   6.578   1.328  -7.144
  560   2HB   SER  80          1HB       SER  80   6.664   2.975  -6.506
  561    HG   SER  80           HG       SER  80   4.881   1.764  -5.677
  562    H    GLY  81           H        GLY  81   7.380   3.023 -10.650
  563   1HA   GLY  81          1HA       GLY  81   7.786   0.293 -11.260
  564   2HA   GLY  81          2HA       GLY  81   6.398   0.898 -12.156
  565    H    GLY  82           H        GLY  82   9.839   1.366 -11.562
  566   1HA   GLY  82          1HA       GLY  82  10.001   2.817 -14.132
  567   2HA   GLY  82          2HA       GLY  82  11.089   3.088 -12.778
  568    H    ASP  83           H        ASP  83  10.171   0.861 -15.316
  569    HA   ASP  83           HA       ASP  83  12.671  -0.626 -14.895
  570   1HB   ASP  83          2HB       ASP  83  10.513  -1.911 -15.040
  571   2HB   ASP  83          1HB       ASP  83  10.354  -1.353 -16.703
  572    H    VAL  84           H        VAL  84  14.145  -0.891 -16.597
  573    HA   VAL  84           HA       VAL  84  14.146   1.269 -18.525
  574    HB   VAL  84           HB       VAL  84  16.161  -0.967 -18.399
  575   1HG1  VAL  84          1HG1      VAL  84  16.416   0.345 -20.347
  576   2HG1  VAL  84          2HG1      VAL  84  16.184   1.847 -19.453
  577   3HG1  VAL  84          3HG1      VAL  84  17.652   0.898 -19.218
  578   1HG2  VAL  84          1HG2      VAL  84  15.873   1.429 -16.629
  579   2HG2  VAL  84          2HG2      VAL  84  16.262  -0.236 -16.202
  580   3HG2  VAL  84          3HG2      VAL  84  17.469   0.775 -16.996
  581    H    MET  85           H        MET  85  12.194   0.526 -19.549
  582    HA   MET  85           HA       MET  85  12.733  -1.473 -21.638
  583   1HB   MET  85          2HB       MET  85  11.066  -1.959 -19.512
  584   2HB   MET  85          1HB       MET  85   9.945  -1.317 -20.704
  585   1HG   MET  85          2HG       MET  85  11.776  -3.322 -21.771
  586   2HG   MET  85          1HG       MET  85  10.715  -3.919 -20.493
  587   1HE   MET  85          1HE       MET  85   7.697  -4.692 -21.757
  588   2HE   MET  85          2HE       MET  85   8.553  -4.021 -20.371
  589   3HE   MET  85          3HE       MET  85   7.419  -3.019 -21.276
  590    H    VAL  86           H        VAL  86  10.121  -1.202 -22.793
  591    HA   VAL  86           HA       VAL  86  10.446   1.337 -24.150
  592    HB   VAL  86           HB       VAL  86   8.185  -0.630 -24.528
  593   1HG1  VAL  86          1HG1      VAL  86   9.380   1.545 -26.230
  594   2HG1  VAL  86          2HG1      VAL  86   8.271   0.325 -26.857
  595   3HG1  VAL  86          3HG1      VAL  86   7.737   1.437 -25.598
  596   1HG2  VAL  86          1HG2      VAL  86   9.435  -1.845 -26.096
  597   2HG2  VAL  86          2HG2      VAL  86  10.710  -0.628 -26.154
  598   3HG2  VAL  86          3HG2      VAL  86  10.524  -1.643 -24.723
  599    H    VAL  87           H        VAL  87   9.997   2.861 -22.579
  600    HA   VAL  87           HA       VAL  87   7.178   3.091 -21.798
  601    HB   VAL  87           HB       VAL  87   8.447   1.927 -19.988
  602   1HG1  VAL  87          1HG1      VAL  87   9.761   4.135 -18.810
  603   2HG1  VAL  87          2HG1      VAL  87  10.453   2.618 -19.380
  604   3HG1  VAL  87          3HG1      VAL  87  10.328   3.995 -20.475
  605   1HG2  VAL  87          1HG2      VAL  87   7.287   2.950 -18.307
  606   2HG2  VAL  87          2HG2      VAL  87   7.690   4.575 -18.864
  607   3HG2  VAL  87          3HG2      VAL  87   6.462   3.630 -19.711
  608    H    GLY  88           H        GLY  88  10.172   4.525 -22.664
  609   1HA   GLY  88          1HA       GLY  88  10.292   6.703 -23.613
  610   2HA   GLY  88          2HA       GLY  88   8.890   7.164 -22.657
  611    H    GLU  89           H        GLU  89  11.759   5.467 -21.529
  612    HA   GLU  89           HA       GLU  89  12.185   7.606 -19.570
  613   1HB   GLU  89          2HB       GLU  89  12.225   4.798 -19.408
  614   2HB   GLU  89          1HB       GLU  89  13.901   5.303 -19.244
  615   1HG   GLU  89          2HG       GLU  89  12.528   5.056 -17.119
  616   2HG   GLU  89          1HG       GLU  89  13.474   6.530 -17.314
  617    HA   PRO  90           HA       PRO  90  15.757   9.026 -21.766
  618   1HB   PRO  90          2HB       PRO  90  16.761  10.070 -19.221
  619   2HB   PRO  90          1HB       PRO  90  16.216  10.950 -20.649
  620   1HG   PRO  90          2HG       PRO  90  14.817  10.927 -18.342
  621   2HG   PRO  90          1HG       PRO  90  14.031  11.027 -19.929
  622   1HD   PRO  90          2HD       PRO  90  14.372   8.661 -18.127
  623   2HD   PRO  90          1HD       PRO  90  12.958   9.152 -19.086
  624    H    THR  91           H        THR  91  18.192   9.058 -21.478
  625    HA   THR  91           HA       THR  91  19.126   6.439 -20.939
  626    HB   THR  91           HB       THR  91  20.907   8.854 -21.152
  627    HG1  THR  91           1HG      THR  91  20.638   8.056 -23.564
  628   1HG2  THR  91          1HG2      THR  91  21.819   6.753 -22.743
  629   2HG2  THR  91          2HG2      THR  91  21.225   5.979 -21.273
  630   3HG2  THR  91          3HG2      THR  91  22.452   7.241 -21.172
  631    H    LEU  92           H        LEU  92  19.966   5.573 -19.140
  632    HA   LEU  92           HA       LEU  92  19.709   6.904 -16.650
  633   1HB   LEU  92          2HB       LEU  92  21.223   4.365 -17.269
  634   2HB   LEU  92          1HB       LEU  92  20.682   4.892 -15.685
  635    HG   LEU  92           HG       LEU  92  18.502   4.691 -17.621
  636   1HD1  LEU  92          1HD1      LEU  92  20.221   2.821 -18.214
  637   2HD1  LEU  92          2HD1      LEU  92  19.611   2.069 -16.741
  638   3HD1  LEU  92          3HD1      LEU  92  18.507   2.437 -18.064
  639   1HD2  LEU  92          1HD2      LEU  92  17.430   3.534 -15.786
  640   2HD2  LEU  92          2HD2      LEU  92  18.969   3.413 -14.931
  641   3HD2  LEU  92          3HD2      LEU  92  18.227   4.991 -15.192
  642    H    MET  93           H        MET  93  21.118   8.057 -15.511
  643    HA   MET  93           HA       MET  93  23.471   8.997 -16.779
  644   1HB   MET  93          2HB       MET  93  21.825   9.748 -14.587
  645   2HB   MET  93          1HB       MET  93  23.483   9.674 -14.008
  646   1HG   MET  93          2HG       MET  93  23.668  11.746 -14.780
  647   2HG   MET  93          1HG       MET  93  23.754  11.005 -16.380
  648   1HE   MET  93          1HE       MET  93  20.510  11.630 -18.050
  649   2HE   MET  93          2HE       MET  93  22.155  12.224 -18.288
  650   3HE   MET  93          3HE       MET  93  21.881  10.540 -17.844
  651    H    GLY  94           H        GLY  94  22.933   6.862 -13.998
  652   1HA   GLY  94          1HA       GLY  94  24.460   5.009 -13.666
  653   2HA   GLY  94          2HA       GLY  94  25.761   6.045 -14.234
  654    H    GLY  95           H        GLY  95  25.397   8.322 -12.774
  655   1HA   GLY  95          1HA       GLY  95  26.442   7.547 -10.226
  656   2HA   GLY  95          2HA       GLY  95  26.103   9.188 -10.759
  657    H    GLU  96           H        GLU  96  23.431   9.043 -11.299
  658    HA   GLU  96           HA       GLU  96  22.290   8.678  -8.628
  659   1HB   GLU  96          2HB       GLU  96  21.811  10.849  -9.344
  660   2HB   GLU  96          1HB       GLU  96  21.565  10.352 -11.009
  661   1HG   GLU  96          2HG       GLU  96  19.421  10.778 -10.395
  662   2HG   GLU  96          1HG       GLU  96  19.519   9.066  -9.986
  663    H    PHE  97           H        PHE  97  21.039   6.977  -8.238
  664    HA   PHE  97           HA       PHE  97  20.587   5.009 -10.154
  665   1HB   PHE  97          2HB       PHE  97  19.355   3.810  -8.467
  666   2HB   PHE  97          1HB       PHE  97  20.721   4.606  -7.697
  667    HD1  PHE  97           1HD      PHE  97  20.175   6.985  -6.682
  668    HD2  PHE  97           2HD      PHE  97  17.289   3.965  -7.487
  669    HE1  PHE  97           1HE      PHE  97  18.649   8.017  -5.057
  670    HE2  PHE  97           2HE      PHE  97  15.754   4.994  -5.861
  671    HZ   PHE  97           HZ       PHE  97  16.434   7.022  -4.643
  672    H    GLY  98           H        GLY  98  18.602   7.538  -8.989
  673   1HA   GLY  98          1HA       GLY  98  16.523   8.348  -9.609
  674   2HA   GLY  98          2HA       GLY  98  17.184   8.075 -11.212
  675    H    ASP  99           H        ASP  99  15.912   5.949  -8.638
  676    HA   ASP  99           HA       ASP  99  14.683   4.240 -10.574
  677   1HB   ASP  99          2HB       ASP  99  15.555   3.490  -8.311
  678   2HB   ASP  99          1HB       ASP  99  14.128   4.243  -7.604
  679    H    GLU 100           H        GLU 100  12.877   4.641 -11.585
  680    HA   GLU 100           HA       GLU 100  11.086   6.723 -10.734
  681   1HB   GLU 100          2HB       GLU 100  11.039   4.808 -13.066
  682   2HB   GLU 100          1HB       GLU 100   9.804   6.033 -12.799
  683   1HG   GLU 100          2HG       GLU 100  12.726   6.665 -13.065
  684   2HG   GLU 100          1HG       GLU 100  11.608   6.637 -14.426
  685    H    ASP 101           H        ASP 101  11.158   4.803  -8.804
  686    HA   ASP 101           HA       ASP 101   8.644   3.312  -9.035
  687   1HB   ASP 101          2HB       ASP 101  11.054   2.487  -8.082
  688   2HB   ASP 101          1HB       ASP 101  10.292   3.039  -6.595
  689    H    GLU 102           H        GLU 102   8.723   6.124  -8.829
  690    HA   GLU 102           HA       GLU 102   8.241   6.871  -6.109
  691   1HB   GLU 102          2HB       GLU 102   8.957   8.161  -8.520
  692   2HB   GLU 102          1HB       GLU 102   7.450   8.882  -7.973
  693   1HG   GLU 102          2HG       GLU 102   9.329   8.518  -5.817
  694   2HG   GLU 102          1HG       GLU 102   9.984   9.524  -7.112
  695    H    ARG 103           H        ARG 103   6.345   8.497  -5.853
  696    HA   ARG 103           HA       ARG 103   4.146   8.757  -5.435
  697   1HB   ARG 103          2HB       ARG 103   4.390   8.232  -8.304
  698   2HB   ARG 103          1HB       ARG 103   2.779   7.932  -7.664
  699   1HG   ARG 103          2HG       ARG 103   2.374  10.102  -7.771
  700   2HG   ARG 103          1HG       ARG 103   3.624  10.368  -6.553
  701   1HD   ARG 103          2HD       ARG 103   4.551   9.961  -9.327
  702   2HD   ARG 103          1HD       ARG 103   3.682  11.459  -9.003
  703    HE   ARG 103           HE       ARG 103   5.975  10.701  -7.317
  704   1HH1  ARG 103          2HH1      ARG 103   4.410  12.941  -9.531
  705   2HH1  ARG 103          1HH1      ARG 103   5.670  14.138  -9.393
  706   1HH2  ARG 103          2HH2      ARG 103   7.620  12.295  -7.142
  707   2HH2  ARG 103          1HH2      ARG 103   7.466  13.778  -8.046
  708    H    LEU 104           H        LEU 104   5.313   6.155  -4.730
  709    HA   LEU 104           HA       LEU 104   3.377   4.126  -5.154
  710   1HB   LEU 104          2HB       LEU 104   5.571   3.458  -4.492
  711   2HB   LEU 104          1HB       LEU 104   5.528   4.484  -3.072
  712    HG   LEU 104           HG       LEU 104   3.819   3.019  -2.067
  713   1HD1  LEU 104          1HD1      LEU 104   2.571   1.874  -3.541
  714   2HD1  LEU 104          2HD1      LEU 104   3.852   1.839  -4.752
  715   3HD1  LEU 104          3HD1      LEU 104   3.858   0.674  -3.428
  716   1HD2  LEU 104          1HD2      LEU 104   6.201   2.616  -1.646
  717   2HD2  LEU 104          2HD2      LEU 104   5.263   1.123  -1.615
  718   3HD2  LEU 104          3HD2      LEU 104   6.252   1.516  -3.022
  719    H    ILE 105           H        ILE 105   3.933   6.452  -2.534
  720    HA   ILE 105           HA       ILE 105   1.464   5.656  -1.232
  721    HB   ILE 105           HB       ILE 105   3.561   7.688  -0.537
  722   1HG1  ILE 105          2HG1      ILE 105   2.294   5.525   1.135
  723   1HG2  ILE 105          1HG2      ILE 105   1.786   9.010   0.050
  724   2HG2  ILE 105          2HG2      ILE 105   0.718   7.634   0.333
  725   3HG2  ILE 105          3HG2      ILE 105   1.959   8.047   1.519
  726   1HD1  ILE 105          1HD1      ILE 105   4.651   7.301   1.442
  727   2HD1  ILE 105          2HD1      ILE 105   3.464   6.770   2.639
  728   3HD1  ILE 105          3HD1      ILE 105   4.720   5.659   2.091
  729    H    THR 106           H        THR 106  -0.395   6.441  -1.710
  730    HA   THR 106           HA       THR 106  -0.625   9.140  -2.824
  731    HB   THR 106           HB       THR 106  -2.168   6.701  -3.761
  732    HG1  THR 106           1HG      THR 106   0.147   7.906  -4.608
  733   1HG2  THR 106          1HG2      THR 106  -2.407   9.004  -5.459
  734   2HG2  THR 106          2HG2      THR 106  -2.909   9.416  -3.820
  735   3HG2  THR 106          3HG2      THR 106  -3.675   8.068  -4.663
  736    H    ARG 107           H        ARG 107  -1.108   9.805  -0.712
  737    HA   ARG 107           HA       ARG 107  -3.585   8.682   0.419
  738   1HB   ARG 107          2HB       ARG 107  -1.155   8.565   1.577
  739   2HB   ARG 107          1HB       ARG 107  -1.707  10.114   2.202
  740   1HG   ARG 107          2HG       ARG 107  -3.305   7.577   2.414
  741   2HG   ARG 107          1HG       ARG 107  -2.187   8.140   3.656
  742   1HD   ARG 107          2HD       ARG 107  -3.539  10.330   3.584
  743   2HD   ARG 107          1HD       ARG 107  -4.766   9.382   2.735
  744    HE   ARG 107           HE       ARG 107  -5.133   8.141   4.684
  745   1HH1  ARG 107          2HH1      ARG 107  -2.649  10.562   5.145
  746   2HH1  ARG 107          1HH1      ARG 107  -2.618  10.393   6.876
  747   1HH2  ARG 107          2HH2      ARG 107  -5.137   7.934   6.949
  748   2HH2  ARG 107          1HH2      ARG 107  -4.083   8.929   7.909
  749    H    LEU 108           H        LEU 108  -5.062  10.058  -0.297
  750    HA   LEU 108           HA       LEU 108  -5.059  12.648   0.989
  751   1HB   LEU 108          2HB       LEU 108  -4.625  12.365  -1.848
  752   2HB   LEU 108          1HB       LEU 108  -6.144  13.187  -1.549
  753    HG   LEU 108           HG       LEU 108  -4.246  14.393   0.152
  754   1HD1  LEU 108          1HD1      LEU 108  -2.346  13.766  -0.973
  755   2HD1  LEU 108          2HD1      LEU 108  -3.169  13.669  -2.529
  756   3HD1  LEU 108          3HD1      LEU 108  -2.772  15.241  -1.840
  757   1HD2  LEU 108          1HD2      LEU 108  -5.328  16.179  -0.608
  758   2HD2  LEU 108          2HD2      LEU 108  -4.788  15.874  -2.260
  759   3HD2  LEU 108          3HD2      LEU 108  -6.247  15.094  -1.652
  760    H    GLU 109           H        GLU 109  -6.800  12.200   2.229
  761    HA   GLU 109           HA       GLU 109  -9.285  11.797   0.829
  762   1HB   GLU 109          2HB       GLU 109  -8.100   9.791   2.581
  763   2HB   GLU 109          1HB       GLU 109  -9.803  10.132   2.859
  764   1HG   GLU 109          2HG       GLU 109  -8.600   9.393   0.213
  765   2HG   GLU 109          1HG       GLU 109  -9.416   8.276   1.301
  766    H    ASN 110           H        ASN 110 -10.950  12.803   1.647
  767    HA   ASN 110           HA       ASN 110 -11.696  13.231   4.175
  768   1HB   ASN 110          2HB       ASN 110  -9.890  14.560   4.863
  769   2HB   ASN 110          1HB       ASN 110  -9.825  15.443   3.335
  770   1HD2  ASN 110          1HD2      ASN 110 -11.420  15.119   6.402
  771   2HD2  ASN 110          2HD2      ASN 110 -12.256  16.631   6.358
  772    H    THR 111           H        THR 111 -11.186  15.042   1.243
  773    HA   THR 111           HA       THR 111 -14.016  14.877   0.635
  774    HB   THR 111           HB       THR 111 -13.403  17.402  -0.349
  775    HG1  THR 111           1HG      THR 111 -12.290  17.031   2.242
  776   1HG2  THR 111          1HG2      THR 111 -15.103  18.193   1.154
  777   2HG2  THR 111          2HG2      THR 111 -14.853  16.821   2.235
  778   3HG2  THR 111          3HG2      THR 111 -15.545  16.567   0.633
  779    H    GLN 112           H        GLN 112 -11.588  13.568  -0.164
  780    HA   GLN 112           HA       GLN 112 -10.929  14.635  -2.784
  781   1HB   GLN 112          2HB       GLN 112  -9.358  13.471  -0.911
  782   2HB   GLN 112          1HB       GLN 112  -9.756  12.064  -1.887
  783   1HG   GLN 112          2HG       GLN 112  -7.641  13.374  -2.462
  784   2HG   GLN 112          1HG       GLN 112  -8.724  12.922  -3.781
  785   1HE2  GLN 112          1HE2      GLN 112  -9.458  14.464  -5.079
  786   2HE2  GLN 112          2HE2      GLN 112  -9.299  16.169  -4.797
  787    H    PHE 113           H        PHE 113 -11.246  11.242  -1.837
  788    HA   PHE 113           HA       PHE 113 -12.807  10.756  -4.262
  789   1HB   PHE 113          2HB       PHE 113 -11.011   9.184  -2.643
  790   2HB   PHE 113          1HB       PHE 113 -12.563   8.365  -2.781
  791    HD1  PHE 113           1HD      PHE 113 -10.609   6.825  -3.876
  792    HD2  PHE 113           2HD      PHE 113 -12.363  10.283  -5.631
  793    HE1  PHE 113           1HE      PHE 113  -9.968   6.013  -6.106
  794    HE2  PHE 113           2HE      PHE 113 -11.732   9.472  -7.867
  795    HZ   PHE 113           HZ       PHE 113 -10.529   7.336  -8.107
  796    H    ASP 114           H        ASP 114 -13.040  10.744  -0.785
  797    HA   ASP 114           HA       ASP 114 -15.963  10.580  -1.063
  798   1HB   ASP 114          2HB       ASP 114 -14.756   8.512  -0.009
  799   2HB   ASP 114          1HB       ASP 114 -14.600   9.550   1.403
  800    H    ALA 115           H        ALA 115 -17.131  11.719   0.591
  801    HA   ALA 115           HA       ALA 115 -15.622  14.010   1.638
  802   1HB   ALA 115          1HB       ALA 115 -17.610  15.236   1.654
  803   2HB   ALA 115          2HB       ALA 115 -17.728  14.275   0.181
  804   3HB   ALA 115          3HB       ALA 115 -18.614  13.787   1.625
  805    H    ALA 116           H        ALA 116 -14.978  11.924   3.031
  806    HA   ALA 116           HA       ALA 116 -16.843  11.577   5.250
  807   1HB   ALA 116          1HB       ALA 116 -14.318  10.048   4.659
  808   2HB   ALA 116          2HB       ALA 116 -15.570   9.625   5.825
  809   3HB   ALA 116          3HB       ALA 116 -15.925   9.586   4.099
  810    H    ASN 117           H        ASN 117 -16.540  12.454   7.153
  811    HA   ASN 117           HA       ASN 117 -13.859  13.454   7.859
  812   1HB   ASN 117          2HB       ASN 117 -15.945  15.104   7.327
  813   2HB   ASN 117          1HB       ASN 117 -16.200  14.826   9.047
  814   1HD2  ASN 117          1HD2      ASN 117 -15.599  17.314   7.997
  815   2HD2  ASN 117          2HD2      ASN 117 -14.031  17.791   8.557
  816    H    GLY 118           H        GLY 118 -13.103  12.668   9.732
  817   1HA   GLY 118          1HA       GLY 118 -14.925  10.977  11.282
  818   2HA   GLY 118          2HA       GLY 118 -13.171  10.882  11.285
  819    H    ILE 119           H        ILE 119 -12.266  11.512  13.105
  820    HA   ILE 119           HA       ILE 119 -13.819  13.020  15.022
  821    HB   ILE 119           HB       ILE 119 -11.810  12.697  16.506
  822   1HG1  ILE 119          2HG1      ILE 119 -10.850  10.726  14.445
  823   1HG2  ILE 119          1HG2      ILE 119 -13.689  11.216  16.664
  824   2HG2  ILE 119          2HG2      ILE 119 -13.125  10.280  15.280
  825   3HG2  ILE 119          3HG2      ILE 119 -12.209  10.264  16.787
  826   1HD1  ILE 119          1HD1      ILE 119  -9.163  12.160  16.446
  827   2HD1  ILE 119          2HD1      ILE 119 -10.103  10.744  16.918
  828   3HD1  ILE 119          3HD1      ILE 119  -8.886  10.613  15.647
  829    H    ASP 120           H        ASP 120 -12.204  14.041  12.459
  830    HA   ASP 120           HA       ASP 120 -11.110  16.420  13.822
  831   1HB   ASP 120          2HB       ASP 120  -9.748  14.770  12.138
  832   2HB   ASP 120          1HB       ASP 120 -10.366  15.965  11.002
  833    H    ASP 121           H        ASP 121 -13.871  15.775  13.011
  834    HA   ASP 121           HA       ASP 121 -14.430  17.478  10.742
  835   1HB   ASP 121          2HB       ASP 121 -15.821  15.552  10.935
  836   2HB   ASP 121          1HB       ASP 121 -16.177  15.890  12.625
  837    H    GLU 122           H        GLU 122 -15.249  17.464  14.193
  838    HA   GLU 122           HA       GLU 122 -15.301  20.392  14.135
  839   1HB   GLU 122          2HB       GLU 122 -17.637  19.073  14.126
  840   2HB   GLU 122          1HB       GLU 122 -17.312  19.033  15.853
  841   1HG   GLU 122          2HG       GLU 122 -16.811  21.658  15.098
  842   2HG   GLU 122          1HG       GLU 122 -18.258  21.193  14.205
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -12.921  -0.952 -11.535
    2   2H    GLY   1          2H        GLY   1 -11.385  -1.473 -11.028
    3   3H    GLY   1          3H        GLY   1 -12.658  -1.391  -9.918
    4   1HA   GLY   1          2HA       GLY   1 -12.448  -3.236 -12.229
    5   2HA   GLY   1          1HA       GLY   1 -12.286  -3.670 -10.532
    6    H    SER   2           H        SER   2 -14.025  -5.207 -11.228
    7    HA   SER   2           HA       SER   2 -16.611  -4.266 -11.877
    8   1HB   SER   2          2HB       SER   2 -16.340  -6.857 -10.455
    9   2HB   SER   2          1HB       SER   2 -17.177  -6.480 -11.960
   10    HG   SER   2           HG       SER   2 -14.967  -6.203 -12.858
   11    H    LEU   3           H        LEU   3 -14.927  -4.659  -8.879
   12    HA   LEU   3           HA       LEU   3 -17.328  -3.730  -7.453
   13   1HB   LEU   3          2HB       LEU   3 -15.814  -6.136  -7.007
   14   2HB   LEU   3          1HB       LEU   3 -15.666  -5.087  -5.612
   15    HG   LEU   3           HG       LEU   3 -18.279  -4.945  -5.798
   16   1HD1  LEU   3          1HD1      LEU   3 -17.847  -6.548  -7.954
   17   2HD1  LEU   3          2HD1      LEU   3 -18.211  -7.729  -6.696
   18   3HD1  LEU   3          3HD1      LEU   3 -19.363  -6.442  -7.060
   19   1HD2  LEU   3          1HD2      LEU   3 -17.265  -5.822  -3.858
   20   2HD2  LEU   3          2HD2      LEU   3 -18.403  -7.053  -4.404
   21   3HD2  LEU   3          3HD2      LEU   3 -16.679  -7.247  -4.716
   22    H    SER   4           H        SER   4 -16.761  -1.601  -7.329
   23    HA   SER   4           HA       SER   4 -14.059  -0.817  -6.754
   24   1HB   SER   4          2HB       SER   4 -16.511   0.947  -6.818
   25   2HB   SER   4          1HB       SER   4 -14.832   1.433  -7.049
   26    HG   SER   4           HG       SER   4 -14.793   0.396  -9.009
   27    H    TRP   5           H        TRP   5 -14.690  -2.324  -4.649
   28    HA   TRP   5           HA       TRP   5 -15.474  -0.515  -2.487
   29   1HB   TRP   5          2HB       TRP   5 -15.698  -2.441  -1.080
   30   2HB   TRP   5          1HB       TRP   5 -16.507  -2.796  -2.600
   31    HD1  TRP   5           HD       TRP   5 -14.614  -4.160  -4.409
   32    HE1  TRP   5           1HE      TRP   5 -13.281  -6.272  -3.789
   33    HE3  TRP   5           3HE      TRP   5 -14.780  -3.759   0.687
   34    HZ2  TRP   5           2HZ      TRP   5 -12.426  -7.595  -1.447
   35    HZ3  TRP   5           3HZ      TRP   5 -13.686  -5.495   2.043
   36    HH2  TRP   5           HH       TRP   5 -12.531  -7.376   0.992
   37    H    LYS   6           H        LYS   6 -14.117  -0.090  -0.744
   38    HA   LYS   6           HA       LYS   6 -11.296  -0.204  -1.477
   39   1HB   LYS   6          2HB       LYS   6 -12.843   1.416   0.538
   40   2HB   LYS   6          1HB       LYS   6 -11.086   1.406   0.498
   41   1HG   LYS   6          2HG       LYS   6 -11.293   3.132  -0.893
   42   2HG   LYS   6          1HG       LYS   6 -11.717   1.926  -2.110
   43   1HD   LYS   6          2HD       LYS   6 -13.896   2.513  -2.118
   44   2HD   LYS   6          1HD       LYS   6 -13.926   2.804  -0.379
   45   1HE   LYS   6          2HE       LYS   6 -14.256   4.919  -1.287
   46   2HE   LYS   6          1HE       LYS   6 -12.531   4.893  -0.918
   47   1HZ   LYS   6          1HZ       LYS   6 -13.473   5.676  -3.248
   48   2HZ   LYS   6          2HZ       LYS   6 -13.327   4.014  -3.585
   49   3HZ   LYS   6          3HZ       LYS   6 -11.971   4.900  -3.091
   50    H    ARG   7           H        ARG   7 -10.313  -1.998  -0.846
   51    HA   ARG   7           HA       ARG   7 -10.686  -2.851   1.942
   52   1HB   ARG   7          2HB       ARG   7 -10.452  -5.060   1.367
   53   2HB   ARG   7          1HB       ARG   7 -11.247  -4.445  -0.074
   54   1HG   ARG   7          2HG       ARG   7  -9.493  -4.904  -1.377
   55   2HG   ARG   7          1HG       ARG   7  -8.329  -4.322  -0.187
   56   1HD   ARG   7          2HD       ARG   7  -9.760  -6.888   0.303
   57   2HD   ARG   7          1HD       ARG   7  -8.415  -6.852  -0.838
   58    HE   ARG   7           HE       ARG   7  -7.598  -5.592   1.519
   59   1HH1  ARG   7          2HH1      ARG   7  -8.632  -8.789   0.525
   60   2HH1  ARG   7          1HH1      ARG   7  -7.523  -9.612   1.586
   61   1HH2  ARG   7          2HH2      ARG   7  -6.171  -6.658   2.922
   62   2HH2  ARG   7          1HH2      ARG   7  -6.113  -8.401   2.951
   63    H    CYS   8           H        CYS   8  -8.909  -3.167   3.189
   64    HA   CYS   8           HA       CYS   8  -6.534  -1.765   2.330
   65   1HB   CYS   8          2HB       CYS   8  -7.480  -1.205   4.477
   66   2HB   CYS   8          1HB       CYS   8  -7.428  -2.891   4.979
   67    H    ALA   9           H        ALA   9  -4.568  -2.629   2.041
   68    HA   ALA   9           HA       ALA   9  -4.326  -5.553   2.209
   69   1HB   ALA   9          1HB       ALA   9  -2.072  -4.503   0.907
   70   2HB   ALA   9          2HB       ALA   9  -3.423  -5.373   0.183
   71   3HB   ALA   9          3HB       ALA   9  -3.458  -3.613   0.278
   72    H    GLY  10           H        GLY  10  -3.817  -3.010   4.104
   73   1HA   GLY  10          1HA       GLY  10  -1.083  -3.539   4.919
   74   2HA   GLY  10          2HA       GLY  10  -2.177  -2.352   5.621
   75    H    CYS  11           H        CYS  11  -4.323  -3.998   6.234
   76    HA   CYS  11           HA       CYS  11  -3.133  -5.728   8.289
   77   1HB   CYS  11          2HB       CYS  11  -5.370  -5.506   9.445
   78   2HB   CYS  11          1HB       CYS  11  -4.400  -4.041   9.388
   79    H    GLY  12           H        GLY  12  -6.343  -5.568   6.777
   80   1HA   GLY  12          1HA       GLY  12  -6.332  -7.484   4.934
   81   2HA   GLY  12          2HA       GLY  12  -6.261  -8.459   6.393
   82    H    GLY  13           H        GLY  13  -8.112  -5.523   5.508
   83   1HA   GLY  13          1HA       GLY  13 -10.542  -7.047   5.476
   84   2HA   GLY  13          2HA       GLY  13 -10.412  -5.921   6.822
   85    H    LYS  14           H        LYS  14 -12.064  -4.659   6.114
   86    HA   LYS  14           HA       LYS  14 -11.704  -3.225   3.580
   87   1HB   LYS  14          2HB       LYS  14 -13.907  -4.294   3.934
   88   2HB   LYS  14          1HB       LYS  14 -14.123  -3.340   5.393
   89   1HG   LYS  14          2HG       LYS  14 -14.231  -1.315   4.140
   90   2HG   LYS  14          1HG       LYS  14 -13.769  -2.149   2.655
   91   1HD   LYS  14          2HD       LYS  14 -15.970  -3.565   3.490
   92   2HD   LYS  14          1HD       LYS  14 -16.378  -1.906   3.937
   93   1HE   LYS  14          2HE       LYS  14 -15.807  -1.208   1.623
   94   2HE   LYS  14          1HE       LYS  14 -15.570  -2.904   1.212
   95   1HZ   LYS  14          1HZ       LYS  14 -17.730  -3.094   0.862
   96   2HZ   LYS  14          2HZ       LYS  14 -17.951  -1.453   1.231
   97   3HZ   LYS  14          3HZ       LYS  14 -18.067  -2.621   2.456
   98    H    ILE  15           H        ILE  15 -11.754  -0.939   3.562
   99    HA   ILE  15           HA       ILE  15 -10.800   0.234   6.062
  100    HB   ILE  15           HB       ILE  15 -10.950   1.794   3.524
  101   1HG1  ILE  15          2HG1      ILE  15  -8.786  -0.249   4.098
  102   1HG2  ILE  15          1HG2      ILE  15  -9.086   2.932   4.389
  103   2HG2  ILE  15          2HG2      ILE  15 -10.156   2.673   5.766
  104   3HG2  ILE  15          3HG2      ILE  15  -8.738   1.649   5.547
  105   1HD1  ILE  15          1HD1      ILE  15  -7.538   0.782   2.602
  106   2HD1  ILE  15          2HD1      ILE  15  -8.825   0.621   1.408
  107   3HD1  ILE  15          3HD1      ILE  15  -8.758   2.046   2.444
  108    H    ALA  16           H        ALA  16 -12.415   0.891   7.342
  109    HA   ALA  16           HA       ALA  16 -14.805   2.115   6.188
  110   1HB   ALA  16          1HB       ALA  16 -14.912   0.396   8.040
  111   2HB   ALA  16          2HB       ALA  16 -14.236   1.630   9.106
  112   3HB   ALA  16          3HB       ALA  16 -15.800   1.893   8.332
  113    H    ASP  17           H        ASP  17 -11.799   3.032   7.142
  114    HA   ASP  17           HA       ASP  17 -12.393   5.515   8.457
  115   1HB   ASP  17          2HB       ASP  17  -9.915   4.187   7.419
  116   2HB   ASP  17          1HB       ASP  17  -9.879   5.905   7.809
  117    H    ARG  18           H        ARG  18 -12.271   7.575   7.602
  118    HA   ARG  18           HA       ARG  18 -13.151   7.853   4.924
  119   1HB   ARG  18          2HB       ARG  18 -13.841   9.418   6.663
  120   2HB   ARG  18          1HB       ARG  18 -12.175   9.929   6.896
  121   1HG   ARG  18          2HG       ARG  18 -12.152  11.211   5.019
  122   2HG   ARG  18          1HG       ARG  18 -13.329  10.200   4.179
  123   1HD   ARG  18          2HD       ARG  18 -14.676  11.263   6.396
  124   2HD   ARG  18          1HD       ARG  18 -13.742  12.596   5.715
  125    HE   ARG  18           HE       ARG  18 -14.884  11.538   3.527
  126   1HH1  ARG  18          2HH1      ARG  18 -16.207  12.490   6.634
  127   2HH1  ARG  18          1HH1      ARG  18 -17.771  12.908   5.987
  128   1HH2  ARG  18          2HH2      ARG  18 -16.940  12.036   2.675
  129   2HH2  ARG  18          1HH2      ARG  18 -18.192  12.624   3.729
  130    H    PHE  19           H        PHE  19 -10.081   8.566   6.546
  131    HA   PHE  19           HA       PHE  19  -8.883   9.372   4.026
  132   1HB   PHE  19          2HB       PHE  19  -8.084   9.467   6.901
  133   2HB   PHE  19          1HB       PHE  19  -6.816   9.517   5.677
  134    HD1  PHE  19           1HD      PHE  19 -10.215  11.000   5.496
  135    HD2  PHE  19           2HD      PHE  19  -6.034  11.709   5.836
  136    HE1  PHE  19           1HE      PHE  19 -10.607  13.409   5.208
  137    HE2  PHE  19           2HE      PHE  19  -6.417  14.123   5.541
  138    HZ   PHE  19           HZ       PHE  19  -8.704  14.977   5.230
  139    H    LEU  20           H        LEU  20  -8.605   7.617   2.752
  140    HA   LEU  20           HA       LEU  20  -7.154   5.313   3.844
  141   1HB   LEU  20          2HB       LEU  20  -8.076   5.206   1.047
  142   2HB   LEU  20          1HB       LEU  20  -8.121   3.974   2.290
  143    HG   LEU  20           HG       LEU  20 -10.069   5.534   3.231
  144   1HD1  LEU  20          1HD1      LEU  20 -10.992   6.969   1.790
  145   2HD1  LEU  20          2HD1      LEU  20  -9.497   6.832   0.863
  146   3HD1  LEU  20          3HD1      LEU  20 -10.885   5.821   0.454
  147   1HD2  LEU  20          1HD2      LEU  20 -10.732   3.400   2.900
  148   2HD2  LEU  20          2HD2      LEU  20 -11.511   4.108   1.483
  149   3HD2  LEU  20          3HD2      LEU  20  -9.953   3.290   1.318
  150    H    LEU  21           H        LEU  21  -5.568   4.338   2.312
  151    HA   LEU  21           HA       LEU  21  -4.196   6.416   0.756
  152   1HB   LEU  21          2HB       LEU  21  -3.108   5.342   2.958
  153   2HB   LEU  21          1HB       LEU  21  -2.618   4.128   1.787
  154    HG   LEU  21           HG       LEU  21  -2.114   6.907   0.964
  155   1HD1  LEU  21          1HD1      LEU  21  -1.617   6.498   3.574
  156   2HD1  LEU  21          2HD1      LEU  21  -0.113   5.899   2.875
  157   3HD1  LEU  21          3HD1      LEU  21  -0.645   7.548   2.542
  158   1HD2  LEU  21          1HD2      LEU  21   0.034   4.906   1.092
  159   2HD2  LEU  21          2HD2      LEU  21  -1.356   4.455   0.104
  160   3HD2  LEU  21          3HD2      LEU  21  -0.474   5.946  -0.238
  161    H    TYR  22           H        TYR  22  -3.543   5.865  -1.257
  162    HA   TYR  22           HA       TYR  22  -4.400   3.210  -2.207
  163   1HB   TYR  22          2HB       TYR  22  -4.343   5.912  -3.555
  164   2HB   TYR  22          1HB       TYR  22  -4.488   4.418  -4.472
  165    HD1  TYR  22           1HD      TYR  22  -6.101   5.596  -1.296
  166    HD2  TYR  22           2HD      TYR  22  -6.623   4.267  -5.301
  167    HE1  TYR  22           1HE      TYR  22  -8.537   5.685  -1.002
  168    HE2  TYR  22           2HE      TYR  22  -9.062   4.358  -5.017
  169    HH   TYR  22           HH       TYR  22 -10.548   5.949  -2.467
  170    H    ALA  23           H        ALA  23  -2.689   1.912  -2.548
  171    HA   ALA  23           HA       ALA  23  -0.411   2.939  -4.021
  172   1HB   ALA  23          1HB       ALA  23   0.493   3.496  -1.970
  173   2HB   ALA  23          2HB       ALA  23  -0.252   2.123  -1.152
  174   3HB   ALA  23          3HB       ALA  23   1.127   1.869  -2.221
  175    H    MET  24           H        MET  24   0.664   1.413  -5.167
  176    HA   MET  24           HA       MET  24   1.098  -0.550  -6.217
  177   1HB   MET  24          2HB       MET  24   0.749  -1.300  -3.400
  178   2HB   MET  24          1HB       MET  24   0.470  -2.619  -4.529
  179   1HG   MET  24          2HG       MET  24   2.670  -2.264  -5.504
  180   2HG   MET  24          1HG       MET  24   2.946  -0.916  -4.404
  181   1HE   MET  24          1HE       MET  24   4.112  -0.937  -2.701
  182   2HE   MET  24          2HE       MET  24   3.339  -1.706  -1.314
  183   3HE   MET  24          3HE       MET  24   4.897  -2.296  -1.893
  184    H    ASP  25           H        ASP  25  -1.506   0.653  -6.443
  185    HA   ASP  25           HA       ASP  25  -3.507   0.272  -7.426
  186   1HB   ASP  25          2HB       ASP  25  -2.060  -2.244  -8.091
  187   2HB   ASP  25          1HB       ASP  25  -3.806  -2.226  -8.317
  188    H    SER  26           H        SER  26  -2.812  -0.511  -4.571
  189    HA   SER  26           HA       SER  26  -5.386  -1.805  -4.015
  190   1HB   SER  26          2HB       SER  26  -3.170  -2.321  -2.102
  191   2HB   SER  26          1HB       SER  26  -4.492  -3.375  -2.604
  192    HG   SER  26           HG       SER  26  -2.654  -2.764  -4.576
  193    H    TYR  27           H        TYR  27  -6.070  -1.398  -1.734
  194    HA   TYR  27           HA       TYR  27  -5.392   1.376  -1.035
  195   1HB   TYR  27          2HB       TYR  27  -7.946   0.002  -0.239
  196   2HB   TYR  27          1HB       TYR  27  -7.617   1.726  -0.391
  197    HD1  TYR  27           1HD      TYR  27  -6.398   1.926  -3.051
  198    HD2  TYR  27           2HD      TYR  27  -9.677  -0.453  -1.724
  199    HE1  TYR  27           1HE      TYR  27  -7.284   1.869  -5.339
  200    HE2  TYR  27           2HE      TYR  27 -10.567  -0.507  -4.016
  201    HH   TYR  27           HH       TYR  27  -8.729   0.384  -6.698
  202    H    TRP  28           H        TRP  28  -5.320   1.945   1.155
  203    HA   TRP  28           HA       TRP  28  -4.752  -0.245   3.028
  204   1HB   TRP  28          2HB       TRP  28  -2.929   2.145   2.626
  205   2HB   TRP  28          1HB       TRP  28  -2.629   0.746   3.645
  206    HD1  TRP  28           HD       TRP  28  -2.918   1.610  -0.123
  207    HE1  TRP  28           1HE      TRP  28  -1.368   0.017  -1.425
  208    HE3  TRP  28           3HE      TRP  28  -1.319  -1.314   3.745
  209    HZ2  TRP  28           2HZ      TRP  28   0.308  -2.175  -0.885
  210    HZ3  TRP  28           3HZ      TRP  28   0.254  -3.142   3.268
  211    HH2  TRP  28           HH       TRP  28   1.057  -3.560   1.001
  212    H    HIS  29           H        HIS  29  -4.460   0.590   5.258
  213    HA   HIS  29           HA       HIS  29  -6.356   2.712   5.888
  214   1HB   HIS  29          2HB       HIS  29  -4.778   0.727   7.473
  215   2HB   HIS  29          1HB       HIS  29  -5.287   2.212   8.264
  216    HD2  HIS  29           2HD      HIS  29  -8.215   2.574   8.092
  217    HE1  HIS  29           1HE      HIS  29  -8.738  -1.633   8.104
  218    HE2  HIS  29           2HE      HIS  29  -9.832   0.606   8.635
  219    H    SER  30           H        SER  30  -5.491   4.343   7.582
  220    HA   SER  30           HA       SER  30  -3.360   5.814   6.418
  221   1HB   SER  30          2HB       SER  30  -4.078   6.424   9.208
  222   2HB   SER  30          1HB       SER  30  -4.078   7.471   7.787
  223    HG   SER  30           HG       SER  30  -6.076   6.628   7.189
  224    H    ARG  31           H        ARG  31  -3.654   3.807   9.345
  225    HA   ARG  31           HA       ARG  31  -0.799   4.108   9.871
  226   1HB   ARG  31          2HB       ARG  31  -2.756   4.088  11.607
  227   2HB   ARG  31          1HB       ARG  31  -2.610   2.342  11.466
  228   1HG   ARG  31          2HG       ARG  31  -0.354   2.393  12.247
  229   2HG   ARG  31          1HG       ARG  31  -0.319   4.158  12.173
  230   1HD   ARG  31          2HD       ARG  31  -2.166   2.556  13.941
  231   2HD   ARG  31          1HD       ARG  31  -0.636   3.256  14.468
  232    HE   ARG  31           HE       ARG  31  -1.585   5.452  14.054
  233   1HH1  ARG  31          2HH1      ARG  31  -3.846   2.768  14.087
  234   2HH1  ARG  31          1HH1      ARG  31  -5.215   3.760  14.505
  235   1HH2  ARG  31          2HH2      ARG  31  -3.386   6.758  14.599
  236   2HH2  ARG  31          1HH2      ARG  31  -4.944   6.018  14.820
  237    H    CYS  32           H        CYS  32  -2.494   2.201   7.833
  238    HA   CYS  32           HA       CYS  32  -0.972  -0.225   8.418
  239   1HB   CYS  32          2HB       CYS  32  -3.298   0.356   6.613
  240   2HB   CYS  32          1HB       CYS  32  -2.342  -1.110   6.420
  241    H    LEU  33           H        LEU  33  -0.947   2.518   6.363
  242    HA   LEU  33           HA       LEU  33   0.913   1.260   4.503
  243   1HB   LEU  33          2HB       LEU  33  -0.895   3.157   4.016
  244   2HB   LEU  33          1HB       LEU  33   0.453   4.191   4.445
  245    HG   LEU  33           HG       LEU  33   0.008   3.460   1.940
  246   1HD1  LEU  33          1HD1      LEU  33   2.609   3.478   1.693
  247   2HD1  LEU  33          2HD1      LEU  33   1.746   4.920   2.231
  248   3HD1  LEU  33          3HD1      LEU  33   2.560   3.888   3.408
  249   1HD2  LEU  33          1HD2      LEU  33   1.042   1.511   1.227
  250   2HD2  LEU  33          2HD2      LEU  33   1.962   1.334   2.719
  251   3HD2  LEU  33          3HD2      LEU  33   0.231   1.008   2.709
  252    H    LYS  34           H        LYS  34   2.324   0.745   6.204
  253    HA   LYS  34           HA       LYS  34   4.069   2.979   6.991
  254   1HB   LYS  34          2HB       LYS  34   4.204   2.226   9.185
  255   2HB   LYS  34          1HB       LYS  34   2.519   1.904   8.803
  256   1HG   LYS  34          2HG       LYS  34   4.473  -0.270   8.306
  257   2HG   LYS  34          1HG       LYS  34   4.087   0.121   9.982
  258   1HD   LYS  34          2HD       LYS  34   2.205  -1.054   9.812
  259   2HD   LYS  34          1HD       LYS  34   1.648   0.030   8.534
  260   1HE   LYS  34          2HE       LYS  34   1.883  -1.587   7.031
  261   2HE   LYS  34          1HE       LYS  34   3.587  -1.753   7.444
  262   1HZ   LYS  34          1HZ       LYS  34   2.922  -3.256   9.257
  263   2HZ   LYS  34          2HZ       LYS  34   2.481  -3.844   7.733
  264   3HZ   LYS  34          3HZ       LYS  34   1.310  -3.150   8.742
  265    H    CYS  35           H        CYS  35   6.296   2.239   7.543
  266    HA   CYS  35           HA       CYS  35   7.381   0.780   5.431
  267   1HB   CYS  35          2HB       CYS  35   8.600   2.452   6.833
  268   2HB   CYS  35          1HB       CYS  35   8.678   1.250   8.119
  269    H    SER  36           H        SER  36   8.298  -1.269   5.303
  270    HA   SER  36           HA       SER  36   6.935  -3.280   6.841
  271   1HB   SER  36          2HB       SER  36   9.135  -3.701   4.815
  272   2HB   SER  36          1HB       SER  36   7.919  -4.865   5.338
  273    HG   SER  36           HG       SER  36   7.532  -2.506   3.810
  274    H    SER  37           H        SER  37   9.801  -1.530   7.223
  275    HA   SER  37           HA       SER  37  10.845  -3.599   9.040
  276   1HB   SER  37          2HB       SER  37  12.808  -1.590   8.551
  277   2HB   SER  37          1HB       SER  37  12.849  -3.294   8.099
  278    HG   SER  37           HG       SER  37  12.514  -1.134   6.534
  279    H    CYS  38           H        CYS  38  10.414  -0.087   8.653
  280    HA   CYS  38           HA       CYS  38  11.102   0.430  11.395
  281   1HB   CYS  38          2HB       CYS  38   9.842   2.237   9.328
  282   2HB   CYS  38          1HB       CYS  38  10.500   2.753  10.876
  283    H    GLN  39           H        GLN  39   8.170  -0.039   9.571
  284    HA   GLN  39           HA       GLN  39   5.974  -0.132  10.113
  285   1HB   GLN  39          2HB       GLN  39   6.985  -0.427  12.947
  286   2HB   GLN  39          1HB       GLN  39   5.319  -0.678  12.433
  287   1HG   GLN  39          2HG       GLN  39   7.460  -2.219  11.064
  288   2HG   GLN  39          1HG       GLN  39   7.017  -2.679  12.707
  289   1HE2  GLN  39          1HE2      GLN  39   6.100  -4.621  12.147
  290   2HE2  GLN  39          2HE2      GLN  39   4.622  -4.740  11.244
  291    H    ALA  40           H        ALA  40   7.407   2.355   9.962
  292    HA   ALA  40           HA       ALA  40   5.879   4.083  11.742
  293   1HB   ALA  40          1HB       ALA  40   7.573   5.556  11.673
  294   2HB   ALA  40          2HB       ALA  40   8.529   4.193  11.092
  295   3HB   ALA  40          3HB       ALA  40   7.827   5.330   9.943
  296    H    GLN  41           H        GLN  41   4.434   5.419  10.956
  297    HA   GLN  41           HA       GLN  41   3.035   4.819   8.642
  298   1HB   GLN  41          2HB       GLN  41   2.597   6.396  10.833
  299   2HB   GLN  41          1HB       GLN  41   2.783   7.607   9.571
  300   1HG   GLN  41          2HG       GLN  41   1.061   5.441   8.738
  301   2HG   GLN  41          1HG       GLN  41   0.488   6.211  10.218
  302   1HE2  GLN  41          1HE2      GLN  41  -0.450   8.163  10.101
  303   2HE2  GLN  41          2HE2      GLN  41  -0.647   9.078   8.646
  304    H    LEU  42           H        LEU  42   3.660   5.052   6.603
  305    HA   LEU  42           HA       LEU  42   5.825   6.784   5.927
  306   1HB   LEU  42          2HB       LEU  42   4.147   4.806   4.448
  307   2HB   LEU  42          1HB       LEU  42   5.150   5.921   3.541
  308    HG   LEU  42           HG       LEU  42   6.173   4.021   5.653
  309   1HD1  LEU  42          1HD1      LEU  42   5.346   2.817   3.705
  310   2HD1  LEU  42          2HD1      LEU  42   6.322   3.841   2.650
  311   3HD1  LEU  42          3HD1      LEU  42   7.107   2.752   3.793
  312   1HD2  LEU  42          1HD2      LEU  42   8.369   4.612   4.462
  313   2HD2  LEU  42          2HD2      LEU  42   7.496   6.012   3.842
  314   3HD2  LEU  42          3HD2      LEU  42   7.688   5.793   5.581
  315    H    GLY  43           H        GLY  43   2.355   6.949   5.609
  316   1HA   GLY  43          1HA       GLY  43   2.359   9.160   3.755
  317   2HA   GLY  43          2HA       GLY  43   0.982   8.573   4.678
  318    H    ASP  44           H        ASP  44   3.159   8.832   6.953
  319    HA   ASP  44           HA       ASP  44   2.154  11.240   8.076
  320   1HB   ASP  44          2HB       ASP  44   3.205   9.057   9.150
  321   2HB   ASP  44          1HB       ASP  44   4.693   9.986   9.028
  322    H    ILE  45           H        ILE  45   4.876  10.429   6.094
  323    HA   ILE  45           HA       ILE  45   6.113  13.045   6.560
  324    HB   ILE  45           HB       ILE  45   8.089  12.214   5.530
  325   1HG1  ILE  45          2HG1      ILE  45   6.610   9.682   4.785
  326   1HG2  ILE  45          1HG2      ILE  45   7.814  11.458   7.799
  327   2HG2  ILE  45          2HG2      ILE  45   6.858  10.076   7.265
  328   3HG2  ILE  45          3HG2      ILE  45   8.570  10.175   6.857
  329   1HD1  ILE  45          1HD1      ILE  45   9.093   9.536   5.039
  330   2HD1  ILE  45          2HD1      ILE  45   8.470   9.134   3.437
  331   3HD1  ILE  45          3HD1      ILE  45   9.224  10.702   3.721
  332    H    GLY  46           H        GLY  46   3.836  11.750   4.612
  333   1HA   GLY  46          1HA       GLY  46   2.943  13.416   2.977
  334   2HA   GLY  46          2HA       GLY  46   4.578  13.470   2.330
  335    H    THR  47           H        THR  47   4.760  12.395   0.486
  336    HA   THR  47           HA       THR  47   3.499   9.755   0.361
  337    HB   THR  47           HB       THR  47   2.075  10.824  -1.118
  338    HG1  THR  47           1HG      THR  47   2.507   9.708  -2.858
  339   1HG2  THR  47          1HG2      THR  47   4.231  12.730  -1.381
  340   2HG2  THR  47          2HG2      THR  47   2.503  12.943  -1.658
  341   3HG2  THR  47          3HG2      THR  47   3.534  12.333  -2.951
  342    H    SER  48           H        SER  48   5.247   8.544   0.647
  343    HA   SER  48           HA       SER  48   7.188   8.419  -1.440
  344   1HB   SER  48          2HB       SER  48   7.921   9.507   1.261
  345   2HB   SER  48          1HB       SER  48   9.097   8.556   0.354
  346    HG   SER  48           HG       SER  48   7.764  10.583  -1.018
  347    H    SER  49           H        SER  49   7.150   6.363  -1.824
  348    HA   SER  49           HA       SER  49   7.900   4.471   0.218
  349   1HB   SER  49          2HB       SER  49   5.830   3.057  -0.890
  350   2HB   SER  49          1HB       SER  49   5.757   3.881   0.666
  351    HG   SER  49           HG       SER  49   5.190   5.768  -0.876
  352    H    TYR  50           H        TYR  50   9.334   3.176  -0.695
  353    HA   TYR  50           HA       TYR  50   9.712   3.406  -3.536
  354   1HB   TYR  50          2HB       TYR  50  11.311   2.342  -1.265
  355   2HB   TYR  50          1HB       TYR  50  11.680   1.740  -2.882
  356    HD1  TYR  50           1HD      TYR  50  12.667   4.084  -0.590
  357    HD2  TYR  50           2HD      TYR  50  11.582   3.812  -4.691
  358    HE1  TYR  50           1HE      TYR  50  13.919   6.144  -1.055
  359    HE2  TYR  50           2HE      TYR  50  12.838   5.866  -5.165
  360    HH   TYR  50           HH       TYR  50  14.010   7.544  -4.316
  361    H    THR  51           H        THR  51   8.626   2.224  -4.894
  362    HA   THR  51           HA       THR  51   7.502  -0.295  -4.091
  363    HB   THR  51           HB       THR  51   7.256   0.330  -6.919
  364    HG1  THR  51           1HG      THR  51   7.311   2.462  -6.534
  365   1HG2  THR  51          1HG2      THR  51   5.206  -0.507  -6.577
  366   2HG2  THR  51          2HG2      THR  51   4.896   0.573  -5.214
  367   3HG2  THR  51          3HG2      THR  51   5.791  -0.928  -4.969
  368    H    LYS  52           H        LYS  52   8.960  -1.857  -3.952
  369    HA   LYS  52           HA       LYS  52   9.942  -2.996  -6.380
  370   1HB   LYS  52          2HB       LYS  52  12.306  -3.237  -5.179
  371   2HB   LYS  52          1HB       LYS  52  11.939  -1.857  -6.205
  372   1HG   LYS  52          2HG       LYS  52  12.613  -0.632  -4.481
  373   2HG   LYS  52          1HG       LYS  52  11.056  -1.026  -3.754
  374   1HD   LYS  52          2HD       LYS  52  12.631  -3.227  -3.196
  375   2HD   LYS  52          1HD       LYS  52  13.731  -1.862  -2.991
  376   1HE   LYS  52          2HE       LYS  52  12.850  -1.677  -0.953
  377   2HE   LYS  52          1HE       LYS  52  11.446  -0.982  -1.767
  378   1HZ   LYS  52          1HZ       LYS  52  11.106  -3.693  -1.955
  379   2HZ   LYS  52          2HZ       LYS  52  10.291  -2.643  -0.903
  380   3HZ   LYS  52          3HZ       LYS  52  11.684  -3.453  -0.379
  381    H    SER  53           H        SER  53  10.020  -5.185  -6.170
  382    HA   SER  53           HA       SER  53   9.728  -7.257  -5.263
  383   1HB   SER  53          2HB       SER  53  10.344  -6.332  -2.492
  384   2HB   SER  53          1HB       SER  53  10.856  -7.802  -3.328
  385    HG   SER  53           HG       SER  53  12.520  -6.767  -4.178
  386    H    GLY  54           H        GLY  54   7.710  -4.894  -4.969
  387   1HA   GLY  54          1HA       GLY  54   5.576  -4.605  -4.165
  388   2HA   GLY  54          2HA       GLY  54   5.559  -6.327  -3.796
  389    H    MET  55           H        MET  55   8.095  -4.424  -2.502
  390    HA   MET  55           HA       MET  55   6.937  -4.761   0.173
  391   1HB   MET  55          2HB       MET  55   9.008  -6.055  -0.517
  392   2HB   MET  55          1HB       MET  55   9.853  -4.517  -0.570
  393   1HG   MET  55          2HG       MET  55   8.858  -4.346   1.893
  394   2HG   MET  55          1HG       MET  55   8.936  -6.102   1.743
  395   1HE   MET  55          1HE       MET  55  11.375  -6.153  -0.409
  396   2HE   MET  55          2HE       MET  55  12.794  -6.380   0.616
  397   3HE   MET  55          3HE       MET  55  11.342  -7.340   0.895
  398    H    ILE  56           H        ILE  56   6.332  -2.973   1.127
  399    HA   ILE  56           HA       ILE  56   7.099  -0.376   0.145
  400    HB   ILE  56           HB       ILE  56   5.765  -0.382   2.746
  401   1HG1  ILE  56          2HG1      ILE  56   4.278  -1.618   0.419
  402   1HG2  ILE  56          1HG2      ILE  56   4.839   1.470   1.907
  403   2HG2  ILE  56          2HG2      ILE  56   5.980   1.277   0.575
  404   3HG2  ILE  56          3HG2      ILE  56   4.338   0.655   0.426
  405   1HD1  ILE  56          1HD1      ILE  56   3.024  -2.209   2.829
  406   2HD1  ILE  56          2HD1      ILE  56   3.422  -0.494   2.916
  407   3HD1  ILE  56          3HD1      ILE  56   2.462  -1.111   1.568
  408    H    LEU  57           H        LEU  57   8.943   0.568   0.659
  409    HA   LEU  57           HA       LEU  57   9.924   0.308   3.424
  410   1HB   LEU  57          2HB       LEU  57  11.638   0.436   0.939
  411   2HB   LEU  57          1HB       LEU  57  12.235   0.475   2.584
  412    HG   LEU  57           HG       LEU  57  10.831  -1.846   1.269
  413   1HD1  LEU  57          1HD1      LEU  57  13.036  -2.936   1.534
  414   2HD1  LEU  57          2HD1      LEU  57  13.061  -1.569   0.418
  415   3HD1  LEU  57          3HD1      LEU  57  13.704  -1.388   2.054
  416   1HD2  LEU  57          1HD2      LEU  57  10.652  -2.858   3.253
  417   2HD2  LEU  57          2HD2      LEU  57  12.230  -2.284   3.794
  418   3HD2  LEU  57          3HD2      LEU  57  10.816  -1.241   3.936
  419    H    CYS  58           H        CYS  58  11.419   2.114   3.995
  420    HA   CYS  58           HA       CYS  58  10.291   4.639   3.169
  421   1HB   CYS  58          2HB       CYS  58  11.941   5.538   4.866
  422   2HB   CYS  58          1HB       CYS  58  10.729   4.431   5.502
  423    H    ARG  59           H        ARG  59  12.208   6.417   3.099
  424    HA   ARG  59           HA       ARG  59  13.704   5.774   0.702
  425   1HB   ARG  59          2HB       ARG  59  13.350   8.273   2.342
  426   2HB   ARG  59          1HB       ARG  59  14.543   8.182   1.055
  427   1HG   ARG  59          2HG       ARG  59  12.204   7.234  -0.099
  428   2HG   ARG  59          1HG       ARG  59  11.696   8.596   0.904
  429   1HD   ARG  59          2HD       ARG  59  13.884   9.655  -0.248
  430   2HD   ARG  59          1HD       ARG  59  13.381   8.541  -1.520
  431    HE   ARG  59           HE       ARG  59  11.341   9.726  -1.708
  432   1HH1  ARG  59          2HH1      ARG  59  13.655  11.244   0.445
  433   2HH1  ARG  59          1HH1      ARG  59  12.760  12.736   0.525
  434   1HH2  ARG  59          2HH2      ARG  59  10.244  11.697  -1.669
  435   2HH2  ARG  59          1HH2      ARG  59  10.856  13.016  -0.698
  436    H    ASN  60           H        ASN  60  14.180   5.448   4.002
  437    HA   ASN  60           HA       ASN  60  17.071   5.837   3.869
  438   1HB   ASN  60          2HB       ASN  60  16.016   6.716   5.857
  439   2HB   ASN  60          1HB       ASN  60  15.237   5.170   6.179
  440   1HD2  ASN  60          1HD2      ASN  60  16.188   3.935   7.630
  441   2HD2  ASN  60          2HD2      ASN  60  17.861   3.986   8.070
  442    H    ASP  61           H        ASP  61  14.734   3.286   4.689
  443    HA   ASP  61           HA       ASP  61  16.629   1.254   5.112
  444   1HB   ASP  61          2HB       ASP  61  13.697   1.285   4.483
  445   2HB   ASP  61          1HB       ASP  61  14.570  -0.244   4.483
  446    H    TYR  62           H        TYR  62  15.001   2.384   2.234
  447    HA   TYR  62           HA       TYR  62  15.558   0.333   0.453
  448   1HB   TYR  62          2HB       TYR  62  14.110   2.288  -0.021
  449   2HB   TYR  62          1HB       TYR  62  15.547   3.302  -0.128
  450    HD1  TYR  62           1HD      TYR  62  14.260   0.108  -1.570
  451    HD2  TYR  62           2HD      TYR  62  16.339   3.756  -2.240
  452    HE1  TYR  62           1HE      TYR  62  14.450  -0.452  -3.951
  453    HE2  TYR  62           2HE      TYR  62  16.525   3.214  -4.636
  454    HH   TYR  62           HH       TYR  62  14.760   1.292  -6.224
  455    H    ILE  63           H        ILE  63  17.565   3.066   1.422
  456    HA   ILE  63           HA       ILE  63  19.598   2.725  -0.478
  457    HB   ILE  63           HB       ILE  63  19.928   3.878   2.289
  458   1HG1  ILE  63          2HG1      ILE  63  18.033   4.980   1.351
  459   1HG2  ILE  63          1HG2      ILE  63  21.999   4.326   1.653
  460   2HG2  ILE  63          2HG2      ILE  63  21.696   3.591   0.079
  461   3HG2  ILE  63          3HG2      ILE  63  21.369   5.308   0.331
  462   1HD1  ILE  63          1HD1      ILE  63  19.129   6.143  -1.027
  463   2HD1  ILE  63          2HD1      ILE  63  19.115   4.384  -1.147
  464   3HD1  ILE  63          3HD1      ILE  63  17.622   5.256  -0.799
  465    H    ARG  64           H        ARG  64  19.132   1.278   2.699
  466    HA   ARG  64           HA       ARG  64  21.782   0.123   2.691
  467   1HB   ARG  64          2HB       ARG  64  19.877   0.738   4.660
  468   2HB   ARG  64          1HB       ARG  64  20.029  -1.014   4.680
  469   1HG   ARG  64          2HG       ARG  64  21.923  -0.854   5.809
  470   2HG   ARG  64          1HG       ARG  64  22.636   0.107   4.513
  471   1HD   ARG  64          2HD       ARG  64  20.829   1.316   6.584
  472   2HD   ARG  64          1HD       ARG  64  22.563   1.139   6.849
  473    HE   ARG  64           HE       ARG  64  22.893   2.570   4.874
  474   1HH1  ARG  64          2HH1      ARG  64  19.800   2.639   6.523
  475   2HH1  ARG  64          1HH1      ARG  64  19.368   4.203   5.899
  476   1HH2  ARG  64          2HH2      ARG  64  22.324   4.629   4.068
  477   2HH2  ARG  64          1HH2      ARG  64  20.788   5.327   4.493
  478    H    LEU  65           H        LEU  65  18.515  -0.908   1.990
  479    HA   LEU  65           HA       LEU  65  19.297  -3.694   1.940
  480   1HB   LEU  65          2HB       LEU  65  16.642  -2.422   1.289
  481   2HB   LEU  65          1HB       LEU  65  16.937  -4.139   1.482
  482    HG   LEU  65           HG       LEU  65  17.298  -2.102   3.675
  483   1HD1  LEU  65          1HD1      LEU  65  14.931  -3.543   2.708
  484   2HD1  LEU  65          2HD1      LEU  65  15.205  -3.616   4.449
  485   3HD1  LEU  65          3HD1      LEU  65  15.057  -2.054   3.646
  486   1HD2  LEU  65          1HD2      LEU  65  17.864  -3.806   5.071
  487   2HD2  LEU  65          2HD2      LEU  65  16.922  -4.999   4.174
  488   3HD2  LEU  65          3HD2      LEU  65  18.491  -4.474   3.563
  489    H    PHE  66           H        PHE  66  18.338  -1.235  -0.427
  490    HA   PHE  66           HA       PHE  66  18.907  -3.206  -2.553
  491   1HB   PHE  66          2HB       PHE  66  16.773  -1.084  -2.371
  492   2HB   PHE  66          1HB       PHE  66  17.215  -1.848  -3.893
  493    HD1  PHE  66           1HD      PHE  66  15.919  -2.557  -0.491
  494    HD2  PHE  66           2HD      PHE  66  16.317  -3.903  -4.505
  495    HE1  PHE  66           1HE      PHE  66  14.344  -4.388  -0.029
  496    HE2  PHE  66           2HE      PHE  66  14.741  -5.733  -4.053
  497    HZ   PHE  66           HZ       PHE  66  13.749  -5.973  -1.817
  498    H    GLY  67           H        GLY  67  18.965   0.233  -1.716
  499   1HA   GLY  67          1HA       GLY  67  20.212   0.987  -4.181
  500   2HA   GLY  67          2HA       GLY  67  19.938   2.021  -2.791
  501    H    ASN  68           H        ASN  68  22.133   2.698  -3.730
  502    HA   ASN  68           HA       ASN  68  24.338   1.067  -2.752
  503   1HB   ASN  68          2HB       ASN  68  24.675   2.206  -4.886
  504   2HB   ASN  68          1HB       ASN  68  24.311   3.761  -4.140
  505   1HD2  ASN  68          1HD2      ASN  68  26.156   4.849  -4.221
  506   2HD2  ASN  68          2HD2      ASN  68  27.678   4.286  -3.597
  507    H    SER  69           H        SER  69  24.810   1.170  -0.679
  508    HA   SER  69           HA       SER  69  23.775   3.245   0.982
  509   1HB   SER  69          2HB       SER  69  25.795   1.200   1.873
  510   2HB   SER  69          1HB       SER  69  24.459   1.911   2.786
  511    HG   SER  69           HG       SER  69  23.207   0.802   0.892
  512    H    GLY  70           H        GLY  70  24.974   4.921  -0.317
  513   1HA   GLY  70          1HA       GLY  70  27.555   5.470   1.011
  514   2HA   GLY  70          2HA       GLY  70  27.313   5.801  -0.700
  515    H    ALA  71           H        ALA  71  27.477   7.991  -0.732
  516    HA   ALA  71           HA       ALA  71  25.235   9.463   0.321
  517   1HB   ALA  71          1HB       ALA  71  27.968  10.383   1.178
  518   2HB   ALA  71          2HB       ALA  71  26.395  10.987   1.701
  519   3HB   ALA  71          3HB       ALA  71  26.933   9.386   2.200
  520    H    GLY  72           H        GLY  72  24.735  11.134  -0.982
  521   1HA   GLY  72          1HA       GLY  72  26.575  11.652  -3.222
  522   2HA   GLY  72          2HA       GLY  72  24.847  11.982  -3.215
  523    H    GLY  73           H        GLY  73  25.376  13.046  -0.359
  524   1HA   GLY  73          1HA       GLY  73  26.033  15.037   0.640
  525   2HA   GLY  73          2HA       GLY  73  26.868  15.478  -0.844
  526    H    SER  74           H        SER  74  25.658  16.389  -2.572
  527    HA   SER  74           HA       SER  74  23.591  18.151  -1.708
  528   1HB   SER  74          2HB       SER  74  23.690  18.020  -4.553
  529   2HB   SER  74          1HB       SER  74  24.338  19.276  -3.496
  530    HG   SER  74           HG       SER  74  26.285  18.515  -3.791
  531    H    GLY  75           H        GLY  75  23.653  15.397  -3.995
  532   1HA   GLY  75          1HA       GLY  75  21.361  14.180  -3.085
  533   2HA   GLY  75          2HA       GLY  75  20.803  15.354  -4.265
  534    H    GLY  76           H        GLY  76  23.281  15.011  -5.888
  535   1HA   GLY  76          1HA       GLY  76  23.964  13.740  -7.676
  536   2HA   GLY  76          2HA       GLY  76  23.452  12.318  -6.776
  537    H    HIS  77           H        HIS  77  22.184  11.167  -8.084
  538    HA   HIS  77           HA       HIS  77  20.257  12.492  -9.831
  539   1HB   HIS  77          2HB       HIS  77  21.562  10.428 -10.533
  540   2HB   HIS  77          1HB       HIS  77  20.601   9.519  -9.374
  541    HD1  HIS  77           1HD      HIS  77  20.658  10.508 -12.834
  542    HD2  HIS  77           2HD      HIS  77  17.690   9.710 -10.024
  543    HE1  HIS  77           1HE      HIS  77  18.552  10.095 -14.159
  544    HE2  HIS  77           2HE      HIS  77  16.743   9.731 -12.433
  545    H    MET  78           H        MET  78  19.020  13.474  -8.143
  546    HA   MET  78           HA       MET  78  17.534  11.598  -6.442
  547   1HB   MET  78          2HB       MET  78  18.782  14.094  -5.922
  548   2HB   MET  78          1HB       MET  78  17.051  14.319  -5.718
  549   1HG   MET  78          2HG       MET  78  18.046  11.879  -4.478
  550   2HG   MET  78          1HG       MET  78  18.781  13.347  -3.835
  551   1HE   MET  78          1HE       MET  78  18.119  14.030  -1.853
  552   2HE   MET  78          2HE       MET  78  17.140  15.353  -2.490
  553   3HE   MET  78          3HE       MET  78  16.494  14.306  -1.226
  554    H    GLY  79           H        GLY  79  15.834  10.950  -7.646
  555   1HA   GLY  79          1HA       GLY  79  14.184  12.965  -8.997
  556   2HA   GLY  79          2HA       GLY  79  14.006  11.220  -9.128
  557    H    SER  80           H        SER  80  14.500  11.810  -5.984
  558    HA   SER  80           HA       SER  80  11.754  11.352  -5.300
  559   1HB   SER  80          2HB       SER  80  13.317  11.793  -2.983
  560   2HB   SER  80          1HB       SER  80  12.815  10.245  -3.664
  561    HG   SER  80           HG       SER  80  15.263  11.490  -3.735
  562    H    GLY  81           H        GLY  81  10.488  12.657  -3.898
  563   1HA   GLY  81          1HA       GLY  81  11.233  15.066  -2.744
  564   2HA   GLY  81          2HA       GLY  81  10.714  15.458  -4.374
  565    H    GLY  82           H        GLY  82   9.183  12.748  -2.911
  566   1HA   GLY  82          1HA       GLY  82   6.659  14.141  -2.964
  567   2HA   GLY  82          2HA       GLY  82   6.911  12.443  -2.602
  568    H    ASP  83           H        ASP  83   8.838  14.601  -0.767
  569    HA   ASP  83           HA       ASP  83   7.491  13.882   1.669
  570   1HB   ASP  83          2HB       ASP  83   9.456  16.120   1.659
  571   2HB   ASP  83          1HB       ASP  83   9.295  14.778   2.783
  572    H    VAL  84           H        VAL  84   5.451  14.867   0.615
  573    HA   VAL  84           HA       VAL  84   5.254  17.723   0.643
  574    HB   VAL  84           HB       VAL  84   2.847  17.357   0.157
  575   1HG1  VAL  84          1HG1      VAL  84   4.252  15.508  -1.685
  576   2HG1  VAL  84          2HG1      VAL  84   3.244  16.912  -2.036
  577   3HG1  VAL  84          3HG1      VAL  84   4.911  17.135  -1.506
  578   1HG2  VAL  84          1HG2      VAL  84   3.186  14.942   1.403
  579   2HG2  VAL  84          2HG2      VAL  84   1.799  15.393   0.408
  580   3HG2  VAL  84          3HG2      VAL  84   3.136  14.486  -0.302
  581    H    MET  85           H        MET  85   5.203  15.478   3.101
  582    HA   MET  85           HA       MET  85   3.763  17.367   4.839
  583   1HB   MET  85          2HB       MET  85   2.618  15.057   4.329
  584   2HB   MET  85          1HB       MET  85   3.785  14.443   5.490
  585   1HG   MET  85          2HG       MET  85   2.730  15.370   7.242
  586   2HG   MET  85          1HG       MET  85   2.295  16.824   6.345
  587   1HE   MET  85          1HE       MET  85  -1.323  16.457   5.949
  588   2HE   MET  85          2HE       MET  85  -0.035  17.303   6.808
  589   3HE   MET  85          3HE       MET  85   0.024  17.157   5.050
  590    H    VAL  86           H        VAL  86   6.564  17.056   4.104
  591    HA   VAL  86           HA       VAL  86   7.890  15.996   6.446
  592    HB   VAL  86           HB       VAL  86   8.781  16.043   3.994
  593   1HG1  VAL  86          1HG1      VAL  86   9.791  18.728   4.903
  594   2HG1  VAL  86          2HG1      VAL  86  10.109  17.926   3.365
  595   3HG1  VAL  86          3HG1      VAL  86   8.484  18.497   3.744
  596   1HG2  VAL  86          1HG2      VAL  86   9.973  15.693   6.427
  597   2HG2  VAL  86          2HG2      VAL  86  10.731  15.390   4.863
  598   3HG2  VAL  86          3HG2      VAL  86  10.989  16.929   5.685
  599    H    VAL  87           H        VAL  87   9.556  17.515   7.529
  600    HA   VAL  87           HA       VAL  87   8.229  19.446   8.963
  601    HB   VAL  87           HB       VAL  87  10.312  18.491   9.746
  602   1HG1  VAL  87          1HG1      VAL  87  11.588  18.234   7.767
  603   2HG1  VAL  87          2HG1      VAL  87  11.565  19.967   7.443
  604   3HG1  VAL  87          3HG1      VAL  87  12.486  19.338   8.808
  605   1HG2  VAL  87          1HG2      VAL  87  10.073  20.372  10.982
  606   2HG2  VAL  87          2HG2      VAL  87  11.552  20.828  10.135
  607   3HG2  VAL  87          3HG2      VAL  87   9.993  21.424   9.568
  608    H    GLY  88           H        GLY  88   9.957  19.836   5.934
  609   1HA   GLY  88          1HA       GLY  88   8.987  21.612   4.503
  610   2HA   GLY  88          2HA       GLY  88   9.114  22.664   5.907
  611    H    GLU  89           H        GLU  89  11.601  22.007   6.842
  612    HA   GLU  89           HA       GLU  89  13.309  23.507   5.172
  613   1HB   GLU  89          2HB       GLU  89  13.722  21.835   7.635
  614   2HB   GLU  89          1HB       GLU  89  15.099  22.515   6.779
  615   1HG   GLU  89          2HG       GLU  89  14.725  24.145   8.325
  616   2HG   GLU  89          1HG       GLU  89  13.739  24.743   6.991
  617    HA   PRO  90           HA       PRO  90  14.551  20.363   2.353
  618   1HB   PRO  90          2HB       PRO  90  16.898  21.993   1.731
  619   2HB   PRO  90          1HB       PRO  90  15.492  21.626   0.728
  620   1HG   PRO  90          2HG       PRO  90  15.932  24.086   1.735
  621   2HG   PRO  90          1HG       PRO  90  14.298  23.434   1.510
  622   1HD   PRO  90          2HD       PRO  90  15.936  23.613   4.015
  623   2HD   PRO  90          1HD       PRO  90  14.210  23.967   3.772
  624    H    THR  91           H        THR  91  15.645  20.194   5.161
  625    HA   THR  91           HA       THR  91  18.372  19.278   4.807
  626    HB   THR  91           HB       THR  91  17.271  18.482   7.326
  627    HG1  THR  91           1HG      THR  91  16.000  20.091   7.823
  628   1HG2  THR  91          1HG2      THR  91  19.017  19.831   8.219
  629   2HG2  THR  91          2HG2      THR  91  19.100  20.810   6.755
  630   3HG2  THR  91          3HG2      THR  91  19.638  19.131   6.725
  631    H    LEU  92           H        LEU  92  16.955  17.834   3.111
  632    HA   LEU  92           HA       LEU  92  15.836  15.443   4.216
  633   1HB   LEU  92          2HB       LEU  92  16.138  16.662   1.613
  634   2HB   LEU  92          1HB       LEU  92  16.550  14.961   1.548
  635    HG   LEU  92           HG       LEU  92  14.341  14.421   2.546
  636   1HD1  LEU  92          1HD1      LEU  92  13.341  17.140   1.933
  637   2HD1  LEU  92          2HD1      LEU  92  12.792  15.971   3.132
  638   3HD1  LEU  92          3HD1      LEU  92  14.241  16.931   3.434
  639   1HD2  LEU  92          1HD2      LEU  92  13.008  15.132   0.510
  640   2HD2  LEU  92          2HD2      LEU  92  14.467  15.964  -0.031
  641   3HD2  LEU  92          3HD2      LEU  92  14.482  14.216   0.204
  642    H    MET  93           H        MET  93  18.807  16.194   2.426
  643    HA   MET  93           HA       MET  93  20.798  15.126   2.215
  644   1HB   MET  93          2HB       MET  93  20.042  14.743   5.062
  645   2HB   MET  93          1HB       MET  93  21.390  13.791   4.455
  646   1HG   MET  93          2HG       MET  93  22.644  15.549   4.965
  647   2HG   MET  93          1HG       MET  93  21.969  16.291   3.515
  648   1HE   MET  93          1HE       MET  93  21.261  19.528   5.169
  649   2HE   MET  93          2HE       MET  93  22.733  18.640   4.767
  650   3HE   MET  93          3HE       MET  93  21.368  18.639   3.650
  651    H    GLY  94           H        GLY  94  19.027  13.816   0.839
  652   1HA   GLY  94          1HA       GLY  94  19.551  10.976   1.442
  653   2HA   GLY  94          2HA       GLY  94  17.979  11.520   0.866
  654    H    GLY  95           H        GLY  95  21.360  12.118  -0.065
  655   1HA   GLY  95          1HA       GLY  95  20.536  11.813  -2.868
  656   2HA   GLY  95          2HA       GLY  95  21.987  12.634  -2.309
  657    H    GLU  96           H        GLU  96  21.402   9.715  -0.709
  658    HA   GLU  96           HA       GLU  96  23.758   8.516  -1.744
  659   1HB   GLU  96          2HB       GLU  96  22.402   6.462  -0.513
  660   2HB   GLU  96          1HB       GLU  96  23.520   7.565   0.274
  661   1HG   GLU  96          2HG       GLU  96  20.792   8.588   0.069
  662   2HG   GLU  96          1HG       GLU  96  20.943   7.116   1.028
  663    H    PHE  97           H        PHE  97  20.301   7.906  -2.214
  664    HA   PHE  97           HA       PHE  97  20.755   6.992  -4.879
  665   1HB   PHE  97          2HB       PHE  97  21.144   4.977  -3.175
  666   2HB   PHE  97          1HB       PHE  97  19.387   4.898  -3.259
  667    HD1  PHE  97           1HD      PHE  97  18.268   4.183  -5.249
  668    HD2  PHE  97           2HD      PHE  97  22.507   4.554  -5.158
  669    HE1  PHE  97           1HE      PHE  97  18.420   2.923  -7.355
  670    HE2  PHE  97           2HE      PHE  97  22.666   3.296  -7.268
  671    HZ   PHE  97           HZ       PHE  97  20.620   2.480  -8.367
  672    H    GLY  98           H        GLY  98  19.399   8.964  -4.819
  673   1HA   GLY  98          1HA       GLY  98  16.707   8.750  -3.840
  674   2HA   GLY  98          2HA       GLY  98  17.372  10.068  -4.792
  675    H    ASP  99           H        ASP  99  16.297   6.700  -5.074
  676    HA   ASP  99           HA       ASP  99  15.970   6.739  -7.890
  677   1HB   ASP  99          2HB       ASP  99  16.078   4.732  -6.198
  678   2HB   ASP  99          1HB       ASP  99  14.332   4.949  -6.125
  679    H    GLU 100           H        GLU 100  14.164   7.096  -9.151
  680    HA   GLU 100           HA       GLU 100  12.225   8.888  -7.958
  681   1HB   GLU 100          2HB       GLU 100  11.988   8.167 -10.819
  682   2HB   GLU 100          1HB       GLU 100  11.909   9.741 -10.043
  683   1HG   GLU 100          2HG       GLU 100  14.206  10.021 -10.079
  684   2HG   GLU 100          1HG       GLU 100  14.513   8.294 -10.244
  685    H    ASP 101           H        ASP 101  11.771   6.463  -6.903
  686    HA   ASP 101           HA       ASP 101   9.215   5.694  -8.140
  687   1HB   ASP 101          2HB       ASP 101  11.324   4.032  -8.306
  688   2HB   ASP 101          1HB       ASP 101  10.729   3.571  -6.715
  689    H    GLU 102           H        GLU 102   9.720   7.536  -6.025
  690    HA   GLU 102           HA       GLU 102   8.905   6.058  -3.633
  691   1HB   GLU 102          2HB       GLU 102   9.242   8.481  -2.628
  692   2HB   GLU 102          1HB       GLU 102  10.601   7.403  -2.909
  693   1HG   GLU 102          2HG       GLU 102  11.468   9.212  -3.908
  694   2HG   GLU 102          1HG       GLU 102  10.515   8.645  -5.279
  695    H    ARG 103           H        ARG 103   7.630   8.117  -6.052
  696    HA   ARG 103           HA       ARG 103   5.479   9.179  -4.481
  697   1HB   ARG 103          2HB       ARG 103   6.528  10.211  -6.585
  698   2HB   ARG 103          1HB       ARG 103   5.560   9.057  -7.490
  699   1HG   ARG 103          2HG       ARG 103   4.457  11.207  -7.396
  700   2HG   ARG 103          1HG       ARG 103   3.522   9.997  -6.515
  701   1HD   ARG 103          2HD       ARG 103   3.456  11.632  -4.953
  702   2HD   ARG 103          1HD       ARG 103   5.014  10.941  -4.504
  703    HE   ARG 103           HE       ARG 103   6.041  12.721  -5.886
  704   1HH1  ARG 103          2HH1      ARG 103   2.776  13.150  -4.685
  705   2HH1  ARG 103          1HH1      ARG 103   2.854  14.890  -4.719
  706   1HH2  ARG 103          2HH2      ARG 103   6.152  15.004  -5.933
  707   2HH2  ARG 103          1HH2      ARG 103   4.787  15.943  -5.388
  708    H    LEU 104           H        LEU 104   5.351   6.602  -3.942
  709    HA   LEU 104           HA       LEU 104   3.397   5.335  -5.692
  710   1HB   LEU 104          2HB       LEU 104   5.157   3.900  -4.935
  711   2HB   LEU 104          1HB       LEU 104   4.904   4.375  -3.266
  712    HG   LEU 104           HG       LEU 104   2.563   3.319  -3.531
  713   1HD1  LEU 104          1HD1      LEU 104   2.474   3.050  -5.893
  714   2HD1  LEU 104          2HD1      LEU 104   3.996   2.162  -5.910
  715   3HD1  LEU 104          3HD1      LEU 104   2.561   1.442  -5.177
  716   1HD2  LEU 104          1HD2      LEU 104   4.660   2.440  -2.307
  717   2HD2  LEU 104          2HD2      LEU 104   3.347   1.316  -2.665
  718   3HD2  LEU 104          3HD2      LEU 104   4.794   1.329  -3.673
  719    H    ILE 105           H        ILE 105   3.553   7.118  -2.745
  720    HA   ILE 105           HA       ILE 105   1.076   6.115  -1.689
  721    HB   ILE 105           HB       ILE 105   2.815   8.449  -0.917
  722   1HG1  ILE 105          2HG1      ILE 105   1.987   5.940   0.560
  723   1HG2  ILE 105          1HG2      ILE 105   0.581   9.227  -0.517
  724   2HG2  ILE 105          2HG2      ILE 105   0.128   7.695   0.228
  725   3HG2  ILE 105          3HG2      ILE 105   1.283   8.758   1.032
  726   1HD1  ILE 105          1HD1      ILE 105   4.379   6.960   1.578
  727   2HD1  ILE 105          2HD1      ILE 105   3.260   8.322   1.488
  728   3HD1  ILE 105          3HD1      ILE 105   2.813   6.867   2.379
  729    H    THR 106           H        THR 106  -0.693   6.425  -2.843
  730    HA   THR 106           HA       THR 106  -1.196   9.062  -4.027
  731    HB   THR 106           HB       THR 106  -2.716   6.477  -4.426
  732    HG1  THR 106           1HG      THR 106  -0.498   7.601  -5.737
  733   1HG2  THR 106          1HG2      THR 106  -4.247   7.691  -5.486
  734   2HG2  THR 106          2HG2      THR 106  -3.007   8.322  -6.573
  735   3HG2  THR 106          3HG2      THR 106  -3.369   9.163  -5.064
  736    H    ARG 107           H        ARG 107  -2.094  10.376  -2.544
  737    HA   ARG 107           HA       ARG 107  -3.753   9.296  -0.435
  738   1HB   ARG 107          2HB       ARG 107  -2.533  10.989   0.487
  739   2HB   ARG 107          1HB       ARG 107  -2.436  11.887  -1.018
  740   1HG   ARG 107          2HG       ARG 107  -3.797  13.315   0.052
  741   2HG   ARG 107          1HG       ARG 107  -5.056  12.187  -0.454
  742   1HD   ARG 107          2HD       ARG 107  -5.589  11.946   1.690
  743   2HD   ARG 107          1HD       ARG 107  -4.043  11.126   1.915
  744    HE   ARG 107           HE       ARG 107  -3.171  13.048   2.873
  745   1HH1  ARG 107          2HH1      ARG 107  -6.435  13.606   1.705
  746   2HH1  ARG 107          1HH1      ARG 107  -6.535  15.197   2.409
  747   1HH2  ARG 107          2HH2      ARG 107  -3.326  15.118   3.822
  748   2HH2  ARG 107          1HH2      ARG 107  -4.780  16.047   3.615
  749    H    LEU 108           H        LEU 108  -5.785   8.827  -0.818
  750    HA   LEU 108           HA       LEU 108  -7.480  10.840  -2.044
  751   1HB   LEU 108          2HB       LEU 108  -6.990   8.120  -3.166
  752   2HB   LEU 108          1HB       LEU 108  -8.624   8.750  -3.226
  753    HG   LEU 108           HG       LEU 108  -6.281  10.277  -4.335
  754   1HD1  LEU 108          1HD1      LEU 108  -7.438   9.359  -6.544
  755   2HD1  LEU 108          2HD1      LEU 108  -6.118   8.506  -5.745
  756   3HD1  LEU 108          3HD1      LEU 108  -7.786   7.996  -5.481
  757   1HD2  LEU 108          1HD2      LEU 108  -8.168  11.663  -3.996
  758   2HD2  LEU 108          2HD2      LEU 108  -8.136  11.273  -5.715
  759   3HD2  LEU 108          3HD2      LEU 108  -9.267  10.446  -4.644
  760    H    GLU 109           H        GLU 109  -8.595  11.190  -0.215
  761    HA   GLU 109           HA       GLU 109  -9.584   8.967   1.361
  762   1HB   GLU 109          2HB       GLU 109 -10.466  10.714   2.848
  763   2HB   GLU 109          1HB       GLU 109  -8.756  10.945   2.518
  764   1HG   GLU 109          2HG       GLU 109 -10.655  12.364   0.761
  765   2HG   GLU 109          1HG       GLU 109 -10.545  12.916   2.432
  766    H    ASN 110           H        ASN 110 -11.896   8.861   1.944
  767    HA   ASN 110           HA       ASN 110 -13.550   8.972  -0.401
  768   1HB   ASN 110          2HB       ASN 110 -13.754   7.258   1.470
  769   2HB   ASN 110          1HB       ASN 110 -14.487   8.532   2.442
  770   1HD2  ASN 110          1HD2      ASN 110 -16.602   8.603   2.405
  771   2HD2  ASN 110          2HD2      ASN 110 -17.625   8.041   1.116
  772    H    THR 111           H        THR 111 -14.277  10.819  -1.139
  773    HA   THR 111           HA       THR 111 -15.171  12.910  -1.276
  774    HB   THR 111           HB       THR 111 -15.619  13.053   1.691
  775    HG1  THR 111           1HG      THR 111 -16.765  11.281  -0.090
  776   1HG2  THR 111          1HG2      THR 111 -16.087  15.062   0.463
  777   2HG2  THR 111          2HG2      THR 111 -17.626  14.332   0.924
  778   3HG2  THR 111          3HG2      THR 111 -17.032  14.171  -0.729
  779    H    GLN 112           H        GLN 112 -12.987  13.383  -1.788
  780    HA   GLN 112           HA       GLN 112 -10.928  13.853  -0.044
  781   1HB   GLN 112          2HB       GLN 112 -11.361  15.359  -2.624
  782   2HB   GLN 112          1HB       GLN 112  -9.827  15.093  -1.804
  783   1HG   GLN 112          2HG       GLN 112  -9.643  12.961  -2.536
  784   2HG   GLN 112          1HG       GLN 112 -11.386  12.692  -2.546
  785   1HE2  GLN 112          1HE2      GLN 112  -8.853  14.520  -4.200
  786   2HE2  GLN 112          2HE2      GLN 112  -9.575  14.431  -5.775
  787    H    PHE 113           H        PHE 113 -10.187  15.462   1.183
  788    HA   PHE 113           HA       PHE 113 -11.996  17.727   1.641
  789   1HB   PHE 113          2HB       PHE 113  -9.766  16.477   3.243
  790   2HB   PHE 113          1HB       PHE 113 -10.422  18.055   3.656
  791    HD1  PHE 113           1HD      PHE 113 -10.592  16.422   5.795
  792    HD2  PHE 113           2HD      PHE 113 -13.107  16.306   2.366
  793    HE1  PHE 113           1HE      PHE 113 -12.348  15.327   7.124
  794    HE2  PHE 113           2HE      PHE 113 -14.870  15.216   3.690
  795    HZ   PHE 113           HZ       PHE 113 -14.491  14.725   6.075
  796    H    ASP 114           H        ASP 114 -11.493  19.732   0.986
  797    HA   ASP 114           HA       ASP 114  -8.972  20.266  -0.318
  798   1HB   ASP 114          2HB       ASP 114 -11.112  21.333  -1.055
  799   2HB   ASP 114          1HB       ASP 114 -11.154  22.216   0.467
  800    H    ALA 115           H        ALA 115 -10.619  21.179   2.640
  801    HA   ALA 115           HA       ALA 115  -8.079  22.122   3.781
  802   1HB   ALA 115          1HB       ALA 115  -9.283  23.755   4.699
  803   2HB   ALA 115          2HB       ALA 115 -10.770  23.070   4.044
  804   3HB   ALA 115          3HB       ALA 115 -10.177  22.544   5.619
  805    H    ALA 116           H        ALA 116  -7.046  20.370   4.518
  806    HA   ALA 116           HA       ALA 116  -8.428  18.031   5.385
  807   1HB   ALA 116          1HB       ALA 116  -6.355  17.739   4.264
  808   2HB   ALA 116          2HB       ALA 116  -5.515  18.780   5.412
  809   3HB   ALA 116          3HB       ALA 116  -6.120  17.208   5.929
  810    H    ASN 117           H        ASN 117  -7.129  20.802   7.025
  811    HA   ASN 117           HA       ASN 117  -6.888  19.580   9.593
  812   1HB   ASN 117          2HB       ASN 117  -5.699  21.670   8.954
  813   2HB   ASN 117          1HB       ASN 117  -7.245  22.513   8.949
  814   1HD2  ASN 117          1HD2      ASN 117  -5.336  20.397  11.077
  815   2HD2  ASN 117          2HD2      ASN 117  -5.665  21.295  12.526
  816    H    GLY 118           H        GLY 118  -9.526  20.615   7.742
  817   1HA   GLY 118          1HA       GLY 118 -11.270  20.392  10.114
  818   2HA   GLY 118          2HA       GLY 118 -11.652  21.453   8.761
  819    H    ILE 119           H        ILE 119 -13.660  20.022   8.997
  820    HA   ILE 119           HA       ILE 119 -13.326  17.542   7.454
  821    HB   ILE 119           HB       ILE 119 -15.970  17.557   8.060
  822   1HG1  ILE 119          2HG1      ILE 119 -15.132  18.186  10.759
  823   1HG2  ILE 119          1HG2      ILE 119 -13.649  16.137   8.823
  824   2HG2  ILE 119          2HG2      ILE 119 -14.633  16.365  10.268
  825   3HG2  ILE 119          3HG2      ILE 119 -15.326  15.590   8.844
  826   1HD1  ILE 119          1HD1      ILE 119 -17.082  19.796  10.567
  827   2HD1  ILE 119          2HD1      ILE 119 -17.327  19.128   8.953
  828   3HD1  ILE 119          3HD1      ILE 119 -17.433  18.078  10.367
  829    H    ASP 120           H        ASP 120 -12.959  18.659   5.505
  830    HA   ASP 120           HA       ASP 120 -14.746  20.640   4.547
  831   1HB   ASP 120          2HB       ASP 120 -12.315  20.377   3.908
  832   2HB   ASP 120          1HB       ASP 120 -12.813  19.038   2.876
  833    H    ASP 121           H        ASP 121 -16.733  19.514   4.827
  834    HA   ASP 121           HA       ASP 121 -17.814  18.563   2.406
  835   1HB   ASP 121          2HB       ASP 121 -16.784  16.440   2.904
  836   2HB   ASP 121          1HB       ASP 121 -17.368  16.487   4.564
  837    H    GLU 122           H        GLU 122 -18.040  18.715   5.907
  838    HA   GLU 122           HA       GLU 122 -20.879  19.440   5.646
  839   1HB   GLU 122          2HB       GLU 122 -19.526  18.421   8.147
  840   2HB   GLU 122          1HB       GLU 122 -21.249  18.640   7.875
  841   1HG   GLU 122          2HG       GLU 122 -20.709  16.924   5.897
  842   2HG   GLU 122          1HG       GLU 122 -19.462  16.447   7.048
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -7.305   2.580  -8.336
    2   2H    GLY   1          2H        GLY   1  -8.237   2.197  -6.972
    3   3H    GLY   1          3H        GLY   1  -7.223   3.556  -6.954
    4   1HA   GLY   1          2HA       GLY   1  -8.571   4.516  -8.787
    5   2HA   GLY   1          1HA       GLY   1  -9.689   3.178  -8.555
    6    H    SER   2           H        SER   2 -11.251   4.912  -8.115
    7    HA   SER   2           HA       SER   2 -11.114   5.696  -5.280
    8   1HB   SER   2          2HB       SER   2 -12.711   7.564  -6.765
    9   2HB   SER   2          1HB       SER   2 -11.266   7.869  -5.802
   10    HG   SER   2           HG       SER   2 -10.321   8.256  -7.628
   11    H    LEU   3           H        LEU   3 -12.602   3.799  -7.428
   12    HA   LEU   3           HA       LEU   3 -15.280   4.153  -6.261
   13   1HB   LEU   3          2HB       LEU   3 -14.325   3.384  -8.901
   14   2HB   LEU   3          1HB       LEU   3 -15.463   2.221  -8.253
   15    HG   LEU   3           HG       LEU   3 -16.864   3.644  -9.405
   16   1HD1  LEU   3          1HD1      LEU   3 -17.313   3.523  -6.852
   17   2HD1  LEU   3          2HD1      LEU   3 -16.855   5.228  -6.870
   18   3HD1  LEU   3          3HD1      LEU   3 -18.219   4.668  -7.840
   19   1HD2  LEU   3          1HD2      LEU   3 -14.706   5.505  -9.069
   20   2HD2  LEU   3          2HD2      LEU   3 -16.007   5.503 -10.258
   21   3HD2  LEU   3          3HD2      LEU   3 -16.244   6.284  -8.695
   22    H    SER   4           H        SER   4 -15.668   1.258  -7.308
   23    HA   SER   4           HA       SER   4 -15.790  -0.803  -6.355
   24   1HB   SER   4          2HB       SER   4 -13.001  -0.442  -5.317
   25   2HB   SER   4          1HB       SER   4 -13.733  -1.851  -6.086
   26    HG   SER   4           HG       SER   4 -12.760  -1.145  -7.810
   27    H    TRP   5           H        TRP   5 -14.145  -1.628  -3.991
   28    HA   TRP   5           HA       TRP   5 -15.436  -0.013  -1.918
   29   1HB   TRP   5          2HB       TRP   5 -16.010  -1.910  -0.602
   30   2HB   TRP   5          1HB       TRP   5 -16.603  -2.234  -2.222
   31    HD1  TRP   5           HD       TRP   5 -14.820  -3.896  -3.725
   32    HE1  TRP   5           1HE      TRP   5 -13.639  -6.028  -2.894
   33    HE3  TRP   5           3HE      TRP   5 -15.100  -3.066   1.317
   34    HZ2  TRP   5           2HZ      TRP   5 -12.930  -7.201  -0.426
   35    HZ3  TRP   5           3HZ      TRP   5 -14.157  -4.750   2.842
   36    HH2  TRP   5           HH       TRP   5 -13.097  -6.775   1.988
   37    H    LYS   6           H        LYS   6 -14.034   0.862  -0.620
   38    HA   LYS   6           HA       LYS   6 -11.278   0.425  -0.943
   39   1HB   LYS   6          2HB       LYS   6 -13.005   2.181   0.642
   40   2HB   LYS   6          1HB       LYS   6 -11.496   1.786   1.453
   41   1HG   LYS   6          2HG       LYS   6 -10.800   3.617   0.318
   42   2HG   LYS   6          1HG       LYS   6 -10.507   2.413  -0.936
   43   1HD   LYS   6          2HD       LYS   6 -11.725   3.830  -2.209
   44   2HD   LYS   6          1HD       LYS   6 -13.089   3.011  -1.446
   45   1HE   LYS   6          2HE       LYS   6 -13.284   4.763   0.199
   46   2HE   LYS   6          1HE       LYS   6 -11.815   5.535  -0.395
   47   1HZ   LYS   6          1HZ       LYS   6 -14.118   5.135  -2.198
   48   2HZ   LYS   6          2HZ       LYS   6 -12.867   6.282  -2.294
   49   3HZ   LYS   6          3HZ       LYS   6 -14.083   6.452  -1.130
   50    H    ARG   7           H        ARG   7 -10.293  -1.377  -0.343
   51    HA   ARG   7           HA       ARG   7 -10.810  -2.388   2.362
   52   1HB   ARG   7          2HB       ARG   7 -10.862  -4.578   1.668
   53   2HB   ARG   7          1HB       ARG   7 -11.604  -3.784   0.290
   54   1HG   ARG   7          2HG       ARG   7 -10.027  -4.514  -1.081
   55   2HG   ARG   7          1HG       ARG   7  -8.738  -3.948  -0.015
   56   1HD   ARG   7          2HD       ARG   7 -10.209  -6.362   0.848
   57   2HD   ARG   7          1HD       ARG   7  -9.166  -6.540  -0.561
   58    HE   ARG   7           HE       ARG   7  -8.202  -5.532   2.045
   59   1HH1  ARG   7          2HH1      ARG   7  -7.775  -7.446  -0.856
   60   2HH1  ARG   7          1HH1      ARG   7  -6.234  -8.081  -0.362
   61   1HH2  ARG   7          2HH2      ARG   7  -6.206  -6.385   2.714
   62   2HH2  ARG   7          1HH2      ARG   7  -5.341  -7.492   1.679
   63    H    CYS   8           H        CYS   8  -9.142  -2.573   3.634
   64    HA   CYS   8           HA       CYS   8  -6.614  -1.543   2.854
   65   1HB   CYS   8          2HB       CYS   8  -7.862  -1.334   5.106
   66   2HB   CYS   8          1HB       CYS   8  -7.218  -2.933   5.451
   67    H    ALA   9           H        ALA   9  -4.664  -2.529   2.794
   68    HA   ALA   9           HA       ALA   9  -4.631  -5.476   2.818
   69   1HB   ALA   9          1HB       ALA   9  -4.015  -4.216   0.658
   70   2HB   ALA   9          2HB       ALA   9  -2.531  -3.775   1.503
   71   3HB   ALA   9          3HB       ALA   9  -2.916  -5.473   1.225
   72    H    GLY  10           H        GLY  10  -4.195  -3.037   4.776
   73   1HA   GLY  10          1HA       GLY  10  -1.543  -3.797   5.772
   74   2HA   GLY  10          2HA       GLY  10  -2.422  -2.336   6.190
   75    H    CYS  11           H        CYS  11  -4.890  -3.410   6.927
   76    HA   CYS  11           HA       CYS  11  -4.078  -4.914   9.314
   77   1HB   CYS  11          2HB       CYS  11  -6.102  -3.940  10.414
   78   2HB   CYS  11          1HB       CYS  11  -4.897  -2.746   9.950
   79    H    GLY  12           H        GLY  12  -7.396  -4.438   8.431
   80   1HA   GLY  12          1HA       GLY  12  -7.652  -7.356   8.131
   81   2HA   GLY  12          2HA       GLY  12  -8.929  -6.277   8.664
   82    H    GLY  13           H        GLY  13 -10.123  -5.106   7.140
   83   1HA   GLY  13          1HA       GLY  13  -9.537  -5.567   4.315
   84   2HA   GLY  13          2HA       GLY  13 -11.016  -6.276   4.945
   85    H    LYS  14           H        LYS  14 -12.773  -4.986   5.343
   86    HA   LYS  14           HA       LYS  14 -13.123  -2.750   3.760
   87   1HB   LYS  14          2HB       LYS  14 -14.844  -4.279   4.973
   88   2HB   LYS  14          1HB       LYS  14 -14.721  -3.098   6.271
   89   1HG   LYS  14          2HG       LYS  14 -15.123  -1.882   3.656
   90   2HG   LYS  14          1HG       LYS  14 -16.428  -2.973   4.132
   91   1HD   LYS  14          2HD       LYS  14 -15.826  -1.492   6.423
   92   2HD   LYS  14          1HD       LYS  14 -15.801  -0.327   5.098
   93   1HE   LYS  14          2HE       LYS  14 -18.017  -0.328   5.008
   94   2HE   LYS  14          1HE       LYS  14 -18.036  -2.076   4.780
   95   1HZ   LYS  14          1HZ       LYS  14 -19.014  -2.154   6.758
   96   2HZ   LYS  14          2HZ       LYS  14 -18.645  -0.539   7.115
   97   3HZ   LYS  14          3HZ       LYS  14 -17.508  -1.760   7.441
   98    H    ILE  15           H        ILE  15 -12.208  -0.832   3.865
   99    HA   ILE  15           HA       ILE  15 -10.989   0.182   6.238
  100    HB   ILE  15           HB       ILE  15 -11.547   1.647   3.653
  101   1HG1  ILE  15          2HG1      ILE  15  -9.250  -0.123   4.503
  102   1HG2  ILE  15          1HG2      ILE  15  -9.223   2.271   5.382
  103   2HG2  ILE  15          2HG2      ILE  15 -10.198   3.331   4.365
  104   3HG2  ILE  15          3HG2      ILE  15 -10.813   2.800   5.931
  105   1HD1  ILE  15          1HD1      ILE  15  -9.225   2.121   2.579
  106   2HD1  ILE  15          2HD1      ILE  15  -7.919   1.434   3.545
  107   3HD1  ILE  15          3HD1      ILE  15  -8.460   0.610   2.082
  108    H    ALA  16           H        ALA  16 -13.409   1.811   4.188
  109    HA   ALA  16           HA       ALA  16 -15.176   3.155   4.649
  110   1HB   ALA  16          1HB       ALA  16 -16.715   2.260   5.993
  111   2HB   ALA  16          2HB       ALA  16 -15.535   0.979   6.286
  112   3HB   ALA  16          3HB       ALA  16 -15.656   2.339   7.402
  113    H    ASP  17           H        ASP  17 -12.383   3.797   5.533
  114    HA   ASP  17           HA       ASP  17 -12.992   5.847   7.544
  115   1HB   ASP  17          2HB       ASP  17 -10.574   4.315   6.881
  116   2HB   ASP  17          1HB       ASP  17 -10.287   6.040   7.080
  117    H    ARG  18           H        ARG  18 -12.245   8.006   7.143
  118    HA   ARG  18           HA       ARG  18 -12.662   8.844   4.420
  119   1HB   ARG  18          2HB       ARG  18 -13.308  10.077   6.620
  120   2HB   ARG  18          1HB       ARG  18 -11.636  10.619   6.619
  121   1HG   ARG  18          2HG       ARG  18 -11.924  11.742   4.538
  122   2HG   ARG  18          1HG       ARG  18 -13.528  11.037   4.323
  123   1HD   ARG  18          2HD       ARG  18 -13.441  12.346   6.848
  124   2HD   ARG  18          1HD       ARG  18 -12.826  13.455   5.622
  125    HE   ARG  18           HE       ARG  18 -14.915  13.215   4.442
  126   1HH1  ARG  18          2HH1      ARG  18 -14.863  11.898   7.702
  127   2HH1  ARG  18          1HH1      ARG  18 -16.589  11.975   7.891
  128   1HH2  ARG  18          2HH2      ARG  18 -17.182  13.313   4.698
  129   2HH2  ARG  18          1HH2      ARG  18 -17.903  12.777   6.189
  130    H    PHE  19           H        PHE  19  -9.997   8.593   6.688
  131    HA   PHE  19           HA       PHE  19  -8.078   9.542   4.700
  132   1HB   PHE  19          2HB       PHE  19  -7.894   8.842   7.626
  133   2HB   PHE  19          1HB       PHE  19  -6.446   9.035   6.648
  134    HD1  PHE  19           1HD      PHE  19  -5.924  10.781   8.399
  135    HD2  PHE  19           2HD      PHE  19  -9.134  11.164   5.635
  136    HE1  PHE  19           1HE      PHE  19  -5.981  13.204   8.813
  137    HE2  PHE  19           2HE      PHE  19  -9.197  13.587   6.037
  138    HZ   PHE  19           HZ       PHE  19  -7.620  14.611   7.628
  139    H    LEU  20           H        LEU  20  -7.353   8.096   3.271
  140    HA   LEU  20           HA       LEU  20  -6.303   5.605   4.229
  141   1HB   LEU  20          2HB       LEU  20  -7.591   4.094   3.011
  142   2HB   LEU  20          1HB       LEU  20  -8.750   5.177   3.735
  143    HG   LEU  20           HG       LEU  20  -9.679   4.959   1.680
  144   1HD1  LEU  20          1HD1      LEU  20  -8.364   7.381   1.963
  145   2HD1  LEU  20          2HD1      LEU  20  -8.032   6.874   0.303
  146   3HD1  LEU  20          3HD1      LEU  20  -9.699   7.009   0.868
  147   1HD2  LEU  20          1HD2      LEU  20  -8.209   3.380   0.747
  148   2HD2  LEU  20          2HD2      LEU  20  -8.341   4.693  -0.425
  149   3HD2  LEU  20          3HD2      LEU  20  -6.911   4.567   0.599
  150    H    LEU  21           H        LEU  21  -5.246   4.368   2.361
  151    HA   LEU  21           HA       LEU  21  -4.128   6.312   0.450
  152   1HB   LEU  21          2HB       LEU  21  -2.740   5.500   2.575
  153   2HB   LEU  21          1HB       LEU  21  -2.392   4.152   1.507
  154    HG   LEU  21           HG       LEU  21  -2.019   6.626   0.098
  155   1HD1  LEU  21          1HD1      LEU  21  -0.091   7.450   1.381
  156   2HD1  LEU  21          2HD1      LEU  21  -1.621   7.633   2.245
  157   3HD1  LEU  21          3HD1      LEU  21  -0.511   6.334   2.684
  158   1HD2  LEU  21          1HD2      LEU  21  -0.762   5.033  -0.852
  159   2HD2  LEU  21          2HD2      LEU  21   0.433   5.476   0.369
  160   3HD2  LEU  21          3HD2      LEU  21  -0.640   4.101   0.639
  161    H    TYR  22           H        TYR  22  -3.283   5.444  -1.462
  162    HA   TYR  22           HA       TYR  22  -4.233   2.743  -2.134
  163   1HB   TYR  22          2HB       TYR  22  -3.972   4.936  -4.176
  164   2HB   TYR  22          1HB       TYR  22  -4.910   3.455  -4.272
  165    HD1  TYR  22           1HD      TYR  22  -7.151   3.369  -3.521
  166    HD2  TYR  22           2HD      TYR  22  -4.810   6.847  -2.756
  167    HE1  TYR  22           1HE      TYR  22  -9.181   4.600  -2.874
  168    HE2  TYR  22           2HE      TYR  22  -6.828   8.075  -2.118
  169    HH   TYR  22           HH       TYR  22  -8.999   7.955  -1.695
  170    H    ALA  23           H        ALA  23  -2.524   1.453  -2.402
  171    HA   ALA  23           HA       ALA  23  -0.201   2.449  -3.870
  172   1HB   ALA  23          1HB       ALA  23   0.213   2.901  -1.465
  173   2HB   ALA  23          2HB       ALA  23   0.081   1.170  -1.153
  174   3HB   ALA  23          3HB       ALA  23   1.377   1.785  -2.180
  175    H    MET  24           H        MET  24   0.606   1.013  -5.202
  176    HA   MET  24           HA       MET  24   1.005  -0.910  -6.330
  177   1HB   MET  24          2HB       MET  24   0.842  -1.922  -3.511
  178   2HB   MET  24          1HB       MET  24   1.003  -3.059  -4.842
  179   1HG   MET  24          2HG       MET  24   2.936  -1.120  -5.326
  180   2HG   MET  24          1HG       MET  24   2.997  -1.396  -3.587
  181   1HE   MET  24          1HE       MET  24   3.474  -5.127  -3.258
  182   2HE   MET  24          2HE       MET  24   4.525  -3.840  -2.666
  183   3HE   MET  24          3HE       MET  24   2.773  -3.640  -2.619
  184    H    ASP  25           H        ASP  25  -1.607   0.084  -6.389
  185    HA   ASP  25           HA       ASP  25  -3.718  -0.426  -7.029
  186   1HB   ASP  25          2HB       ASP  25  -2.115  -2.676  -7.999
  187   2HB   ASP  25          1HB       ASP  25  -3.809  -3.084  -7.747
  188    H    SER  26           H        SER  26  -2.816  -0.905  -4.267
  189    HA   SER  26           HA       SER  26  -5.146  -2.470  -3.449
  190   1HB   SER  26          2HB       SER  26  -2.938  -2.669  -1.537
  191   2HB   SER  26          1HB       SER  26  -3.989  -3.935  -2.171
  192    HG   SER  26           HG       SER  26  -2.252  -3.009  -4.051
  193    H    TYR  27           H        TYR  27  -6.133  -1.713  -1.551
  194    HA   TYR  27           HA       TYR  27  -5.412   1.058  -0.982
  195   1HB   TYR  27          2HB       TYR  27  -7.950  -0.425  -0.270
  196   2HB   TYR  27          1HB       TYR  27  -7.677   1.311  -0.135
  197    HD1  TYR  27           1HD      TYR  27  -6.097   1.383  -2.863
  198    HD2  TYR  27           2HD      TYR  27  -9.908  -0.118  -1.705
  199    HE1  TYR  27           1HE      TYR  27  -6.904   1.677  -5.163
  200    HE2  TYR  27           2HE      TYR  27 -10.726   0.175  -4.009
  201    HH   TYR  27           HH       TYR  27  -9.372   0.251  -6.458
  202    H    TRP  28           H        TRP  28  -5.259   1.841   1.118
  203    HA   TRP  28           HA       TRP  28  -4.773  -0.122   3.252
  204   1HB   TRP  28          2HB       TRP  28  -2.834   2.077   2.473
  205   2HB   TRP  28          1HB       TRP  28  -2.615   0.911   3.764
  206    HD1  TRP  28           HD       TRP  28  -2.846   0.927  -0.116
  207    HE1  TRP  28           1HE      TRP  28  -1.292  -0.924  -1.003
  208    HE3  TRP  28           3HE      TRP  28  -1.317  -1.040   4.345
  209    HZ2  TRP  28           2HZ      TRP  28   0.369  -2.948   0.059
  210    HZ3  TRP  28           3HZ      TRP  28   0.258  -2.928   4.325
  211    HH2  TRP  28           HH       TRP  28   1.091  -3.856   2.228
  212    H    HIS  29           H        HIS  29  -4.112   1.174   5.285
  213    HA   HIS  29           HA       HIS  29  -5.783   3.586   5.539
  214   1HB   HIS  29          2HB       HIS  29  -4.633   1.662   7.544
  215   2HB   HIS  29          1HB       HIS  29  -4.967   3.320   8.025
  216    HD2  HIS  29           2HD      HIS  29  -7.777   4.043   7.639
  217    HE1  HIS  29           1HE      HIS  29  -8.941   0.004   8.178
  218    HE2  HIS  29           2HE      HIS  29  -9.679   2.436   8.380
  219    H    SER  30           H        SER  30  -4.627   5.388   6.809
  220    HA   SER  30           HA       SER  30  -2.251   6.052   5.454
  221   1HB   SER  30          2HB       SER  30  -2.519   7.514   7.924
  222   2HB   SER  30          1HB       SER  30  -2.731   8.073   6.270
  223    HG   SER  30           HG       SER  30  -4.592   7.668   8.106
  224    H    ARG  31           H        ARG  31  -2.835   4.823   8.725
  225    HA   ARG  31           HA       ARG  31  -0.001   4.718   9.314
  226   1HB   ARG  31          2HB       ARG  31  -1.887   5.154  11.004
  227   2HB   ARG  31          1HB       ARG  31  -2.174   3.419  10.937
  228   1HG   ARG  31          2HG       ARG  31  -0.780   3.615  12.759
  229   2HG   ARG  31          1HG       ARG  31   0.359   3.230  11.466
  230   1HD   ARG  31          2HD       ARG  31   1.040   5.108  13.006
  231   2HD   ARG  31          1HD       ARG  31   1.060   5.482  11.284
  232    HE   ARG  31           HE       ARG  31  -0.749   6.917  11.576
  233   1HH1  ARG  31          2HH1      ARG  31   0.070   5.289  14.581
  234   2HH1  ARG  31          1HH1      ARG  31  -0.933   6.336  15.549
  235   1HH2  ARG  31          2HH2      ARG  31  -2.080   8.236  12.833
  236   2HH2  ARG  31          1HH2      ARG  31  -2.192   7.988  14.550
  237    H    CYS  32           H        CYS  32  -2.352   2.637   7.913
  238    HA   CYS  32           HA       CYS  32  -1.000   0.184   8.552
  239   1HB   CYS  32          2HB       CYS  32  -3.240   0.888   6.666
  240   2HB   CYS  32          1HB       CYS  32  -2.542  -0.726   6.718
  241    H    LEU  33           H        LEU  33  -0.784   2.609   6.107
  242    HA   LEU  33           HA       LEU  33   0.929   0.950   4.432
  243   1HB   LEU  33          2HB       LEU  33  -0.693   2.864   3.642
  244   2HB   LEU  33          1HB       LEU  33   0.648   3.907   4.073
  245    HG   LEU  33           HG       LEU  33   0.319   2.909   1.615
  246   1HD1  LEU  33          1HD1      LEU  33   2.862   3.114   1.414
  247   2HD1  LEU  33          2HD1      LEU  33   1.953   4.525   1.966
  248   3HD1  LEU  33          3HD1      LEU  33   2.824   3.524   3.130
  249   1HD2  LEU  33          1HD2      LEU  33   2.228   0.948   2.868
  250   2HD2  LEU  33          2HD2      LEU  33   0.550   0.567   2.487
  251   3HD2  LEU  33          3HD2      LEU  33   1.672   0.997   1.197
  252    H    LYS  34           H        LYS  34   2.519   0.464   5.883
  253    HA   LYS  34           HA       LYS  34   4.328   2.669   6.620
  254   1HB   LYS  34          2HB       LYS  34   4.635   1.768   8.795
  255   2HB   LYS  34          1HB       LYS  34   2.896   1.794   8.535
  256   1HG   LYS  34          2HG       LYS  34   4.100  -0.713   7.699
  257   2HG   LYS  34          1HG       LYS  34   4.395  -0.352   9.401
  258   1HD   LYS  34          2HD       LYS  34   2.134  -0.349   9.923
  259   2HD   LYS  34          1HD       LYS  34   1.648  -0.055   8.253
  260   1HE   LYS  34          2HE       LYS  34   2.983  -2.454   8.102
  261   2HE   LYS  34          1HE       LYS  34   2.141  -2.568   9.647
  262   1HZ   LYS  34          1HZ       LYS  34   0.680  -1.644   7.272
  263   2HZ   LYS  34          2HZ       LYS  34   0.096  -2.457   8.641
  264   3HZ   LYS  34          3HZ       LYS  34   0.980  -3.301   7.458
  265    H    CYS  35           H        CYS  35   6.503   1.765   7.299
  266    HA   CYS  35           HA       CYS  35   7.619   0.382   5.151
  267   1HB   CYS  35          2HB       CYS  35   8.893   1.881   6.646
  268   2HB   CYS  35          1HB       CYS  35   8.753   0.695   7.942
  269    H    SER  36           H        SER  36   8.364  -1.706   4.916
  270    HA   SER  36           HA       SER  36   6.891  -3.700   6.417
  271   1HB   SER  36          2HB       SER  36   8.901  -4.194   4.214
  272   2HB   SER  36          1HB       SER  36   7.591  -5.251   4.744
  273    HG   SER  36           HG       SER  36   7.330  -2.724   3.458
  274    H    SER  37           H        SER  37   9.820  -2.114   6.706
  275    HA   SER  37           HA       SER  37  11.016  -4.377   8.150
  276   1HB   SER  37          2HB       SER  37  12.245  -2.000   6.769
  277   2HB   SER  37          1HB       SER  37  13.153  -2.985   7.917
  278    HG   SER  37           HG       SER  37  13.082  -4.671   6.579
  279    H    CYS  38           H        CYS  38  10.391  -0.875   8.380
  280    HA   CYS  38           HA       CYS  38  11.152  -0.984  11.208
  281   1HB   CYS  38          2HB       CYS  38  10.395   1.474   9.639
  282   2HB   CYS  38          1HB       CYS  38  11.279   1.391  11.159
  283    H    GLN  39           H        GLN  39   8.367  -0.924   9.257
  284    HA   GLN  39           HA       GLN  39   6.139  -0.683   9.646
  285   1HB   GLN  39          2HB       GLN  39   6.807  -0.645  12.598
  286   2HB   GLN  39          1HB       GLN  39   5.219  -0.899  11.884
  287   1HG   GLN  39          2HG       GLN  39   7.595  -2.742  11.730
  288   2HG   GLN  39          1HG       GLN  39   6.106  -2.998  12.636
  289   1HE2  GLN  39          1HE2      GLN  39   7.576  -4.321  10.283
  290   2HE2  GLN  39          2HE2      GLN  39   6.300  -4.625   9.147
  291    H    ALA  40           H        ALA  40   8.179   1.465   9.536
  292    HA   ALA  40           HA       ALA  40   7.264   3.649  11.086
  293   1HB   ALA  40          1HB       ALA  40   9.020   3.643   8.628
  294   2HB   ALA  40          2HB       ALA  40   8.815   4.974   9.767
  295   3HB   ALA  40          3HB       ALA  40   9.587   3.478  10.291
  296    H    GLN  41           H        GLN  41   5.627   4.803  10.742
  297    HA   GLN  41           HA       GLN  41   3.675   4.489   8.847
  298   1HB   GLN  41          2HB       GLN  41   2.821   5.778  10.480
  299   2HB   GLN  41          1HB       GLN  41   4.382   6.475  10.872
  300   1HG   GLN  41          2HG       GLN  41   3.918   7.805   8.624
  301   2HG   GLN  41          1HG       GLN  41   2.249   7.463   9.080
  302   1HE2  GLN  41          1HE2      GLN  41   5.200   8.322  10.879
  303   2HE2  GLN  41          2HE2      GLN  41   4.481   9.650  11.729
  304    H    LEU  42           H        LEU  42   3.709   4.703   6.725
  305    HA   LEU  42           HA       LEU  42   5.586   6.620   5.530
  306   1HB   LEU  42          2HB       LEU  42   4.332   4.079   4.516
  307   2HB   LEU  42          1HB       LEU  42   5.127   5.209   3.441
  308    HG   LEU  42           HG       LEU  42   6.441   3.778   5.753
  309   1HD1  LEU  42          1HD1      LEU  42   6.953   3.351   2.826
  310   2HD1  LEU  42          2HD1      LEU  42   7.468   2.360   4.190
  311   3HD1  LEU  42          3HD1      LEU  42   5.767   2.407   3.725
  312   1HD2  LEU  42          1HD2      LEU  42   7.677   5.720   5.544
  313   2HD2  LEU  42          2HD2      LEU  42   8.519   4.628   4.442
  314   3HD2  LEU  42          3HD2      LEU  42   7.399   5.836   3.805
  315    H    GLY  43           H        GLY  43   2.240   5.493   5.382
  316   1HA   GLY  43          1HA       GLY  43   1.586   7.433   3.345
  317   2HA   GLY  43          2HA       GLY  43   0.477   6.310   4.111
  318    H    ASP  44           H        ASP  44   1.180   7.131   6.800
  319    HA   ASP  44           HA       ASP  44  -0.737   9.217   7.037
  320   1HB   ASP  44          2HB       ASP  44  -0.073   7.203   8.639
  321   2HB   ASP  44          1HB       ASP  44   0.953   8.436   9.364
  322    H    ILE  45           H        ILE  45   2.508   9.393   6.343
  323    HA   ILE  45           HA       ILE  45   2.857  11.951   7.730
  324    HB   ILE  45           HB       ILE  45   5.172  11.793   6.457
  325   1HG1  ILE  45          2HG1      ILE  45   4.593   8.873   6.920
  326   1HG2  ILE  45          1HG2      ILE  45   4.260  10.601   9.023
  327   2HG2  ILE  45          2HG2      ILE  45   5.928  10.344   8.509
  328   3HG2  ILE  45          3HG2      ILE  45   5.314  11.983   8.729
  329   1HD1  ILE  45          1HD1      ILE  45   6.963  10.290   6.375
  330   2HD1  ILE  45          2HD1      ILE  45   6.725   8.543   6.448
  331   3HD1  ILE  45          3HD1      ILE  45   6.539   9.396   4.915
  332    H    GLY  46           H        GLY  46   1.830  10.698   4.782
  333   1HA   GLY  46          1HA       GLY  46   0.807  12.000   3.135
  334   2HA   GLY  46          2HA       GLY  46   1.700  13.396   3.706
  335    H    THR  47           H        THR  47   4.207  11.633   3.560
  336    HA   THR  47           HA       THR  47   4.880  12.422   0.871
  337    HB   THR  47           HB       THR  47   7.030  10.993   1.982
  338    HG1  THR  47           1HG      THR  47   6.251  12.824   3.956
  339   1HG2  THR  47          1HG2      THR  47   7.597  12.906   0.831
  340   2HG2  THR  47          2HG2      THR  47   7.758  13.476   2.494
  341   3HG2  THR  47          3HG2      THR  47   6.306  13.857   1.568
  342    H    SER  48           H        SER  48   6.367  10.779  -0.383
  343    HA   SER  48           HA       SER  48   4.722   8.426  -0.793
  344   1HB   SER  48          2HB       SER  48   7.008   8.583  -2.541
  345   2HB   SER  48          1HB       SER  48   5.289   8.650  -2.934
  346    HG   SER  48           HG       SER  48   6.930  10.589  -3.195
  347    H    SER  49           H        SER  49   5.666   6.315  -1.116
  348    HA   SER  49           HA       SER  49   7.880   5.821   0.742
  349   1HB   SER  49          2HB       SER  49   6.950   3.465   0.736
  350   2HB   SER  49          1HB       SER  49   5.859   4.685   1.395
  351    HG   SER  49           HG       SER  49   4.642   3.518  -0.001
  352    H    TYR  50           H        TYR  50   9.119   3.735   0.122
  353    HA   TYR  50           HA       TYR  50   9.762   3.886  -2.747
  354   1HB   TYR  50          2HB       TYR  50  11.421   3.749  -0.324
  355   2HB   TYR  50          1HB       TYR  50  11.898   2.617  -1.586
  356    HD1  TYR  50           1HD      TYR  50  12.083   5.999  -0.449
  357    HD2  TYR  50           2HD      TYR  50  12.278   3.564  -3.930
  358    HE1  TYR  50           1HE      TYR  50  13.265   7.799  -1.635
  359    HE2  TYR  50           2HE      TYR  50  13.461   5.354  -5.123
  360    HH   TYR  50           HH       TYR  50  14.711   8.129  -3.540
  361    H    THR  51           H        THR  51   8.971   2.225  -3.839
  362    HA   THR  51           HA       THR  51   8.704  -0.351  -2.437
  363    HB   THR  51           HB       THR  51   7.204   0.279  -4.946
  364    HG1  THR  51           1HG      THR  51   7.027   1.716  -2.710
  365   1HG2  THR  51          1HG2      THR  51   5.623  -1.292  -4.091
  366   2HG2  THR  51          2HG2      THR  51   6.380  -1.280  -2.497
  367   3HG2  THR  51          3HG2      THR  51   7.223  -2.002  -3.869
  368    H    LYS  52           H        LYS  52  10.162  -1.777  -2.982
  369    HA   LYS  52           HA       LYS  52  10.781  -2.222  -5.790
  370   1HB   LYS  52          2HB       LYS  52  12.551  -0.755  -4.297
  371   2HB   LYS  52          1HB       LYS  52  13.160  -2.389  -4.067
  372   1HG   LYS  52          2HG       LYS  52  14.326  -1.640  -5.916
  373   2HG   LYS  52          1HG       LYS  52  13.008  -2.573  -6.628
  374   1HD   LYS  52          2HD       LYS  52  11.739  -0.470  -6.932
  375   2HD   LYS  52          1HD       LYS  52  13.134   0.425  -6.326
  376   1HE   LYS  52          2HE       LYS  52  14.488  -0.458  -8.164
  377   2HE   LYS  52          1HE       LYS  52  13.085  -1.336  -8.771
  378   1HZ   LYS  52          1HZ       LYS  52  11.952   0.780  -9.093
  379   2HZ   LYS  52          2HZ       LYS  52  13.405   0.729  -9.968
  380   3HZ   LYS  52          3HZ       LYS  52  13.313   1.618  -8.524
  381    H    SER  53           H        SER  53  10.959  -4.355  -6.235
  382    HA   SER  53           HA       SER  53  10.959  -6.628  -5.956
  383   1HB   SER  53          2HB       SER  53  11.947  -5.982  -3.167
  384   2HB   SER  53          1HB       SER  53  11.867  -7.603  -3.866
  385    HG   SER  53           HG       SER  53  13.663  -7.223  -4.893
  386    H    GLY  54           H        GLY  54   8.807  -4.648  -5.009
  387   1HA   GLY  54          1HA       GLY  54   6.612  -4.952  -4.279
  388   2HA   GLY  54          2HA       GLY  54   7.001  -6.620  -3.871
  389    H    MET  55           H        MET  55   9.456  -4.986  -2.588
  390    HA   MET  55           HA       MET  55   8.345  -5.073   0.076
  391   1HB   MET  55          2HB       MET  55  11.076  -3.998  -0.554
  392   2HB   MET  55          1HB       MET  55  10.524  -4.829   0.892
  393   1HG   MET  55          2HG       MET  55  10.220  -6.651  -1.214
  394   2HG   MET  55          1HG       MET  55  11.790  -5.880  -1.446
  395   1HE   MET  55          1HE       MET  55  14.005  -7.194  -0.128
  396   2HE   MET  55          2HE       MET  55  13.341  -8.822   0.016
  397   3HE   MET  55          3HE       MET  55  12.935  -7.823  -1.382
  398    H    ILE  56           H        ILE  56   7.309  -3.472   0.880
  399    HA   ILE  56           HA       ILE  56   7.548  -0.773  -0.182
  400    HB   ILE  56           HB       ILE  56   5.753  -1.845   2.011
  401   1HG1  ILE  56          2HG1      ILE  56   4.729  -0.955  -0.642
  402   1HG2  ILE  56          1HG2      ILE  56   4.507   0.251   1.742
  403   2HG2  ILE  56          2HG2      ILE  56   6.164   0.540   2.276
  404   3HG2  ILE  56          3HG2      ILE  56   5.718   0.818   0.591
  405   1HD1  ILE  56          1HD1      ILE  56   3.971  -3.255   1.141
  406   2HD1  ILE  56          2HD1      ILE  56   3.153  -1.693   1.059
  407   3HD1  ILE  56          3HD1      ILE  56   3.149  -2.765  -0.343
  408    H    LEU  57           H        LEU  57   9.393   0.138   0.480
  409    HA   LEU  57           HA       LEU  57  10.157  -0.135   3.305
  410   1HB   LEU  57          2HB       LEU  57  11.874   0.604   0.938
  411   2HB   LEU  57          1HB       LEU  57  12.431   0.274   2.565
  412    HG   LEU  57           HG       LEU  57  10.926  -1.884   1.203
  413   1HD1  LEU  57          1HD1      LEU  57  13.826  -1.601   0.580
  414   2HD1  LEU  57          2HD1      LEU  57  12.575  -2.509  -0.266
  415   3HD1  LEU  57          3HD1      LEU  57  12.637  -0.752  -0.410
  416   1HD2  LEU  57          1HD2      LEU  57  11.628  -2.649   3.222
  417   2HD2  LEU  57          2HD2      LEU  57  13.076  -3.033   2.287
  418   3HD2  LEU  57          3HD2      LEU  57  13.023  -1.569   3.269
  419    H    CYS  58           H        CYS  58  11.397   1.692   4.199
  420    HA   CYS  58           HA       CYS  58  10.105   4.210   3.634
  421   1HB   CYS  58          2HB       CYS  58  11.447   5.030   5.558
  422   2HB   CYS  58          1HB       CYS  58  10.468   3.628   5.968
  423    H    ARG  59           H        ARG  59  11.610   6.176   3.454
  424    HA   ARG  59           HA       ARG  59  13.039   5.938   1.068
  425   1HB   ARG  59          2HB       ARG  59  11.999   8.038   2.097
  426   2HB   ARG  59          1HB       ARG  59  13.482   8.176   3.034
  427   1HG   ARG  59          2HG       ARG  59  14.795   8.384   1.035
  428   2HG   ARG  59          1HG       ARG  59  13.383   8.063   0.026
  429   1HD   ARG  59          2HD       ARG  59  14.109  10.509   1.569
  430   2HD   ARG  59          1HD       ARG  59  13.518  10.360  -0.084
  431    HE   ARG  59           HE       ARG  59  11.915  10.365   2.366
  432   1HH1  ARG  59          2HH1      ARG  59  12.064  10.146  -1.126
  433   2HH1  ARG  59          1HH1      ARG  59  10.369  10.463  -1.357
  434   1HH2  ARG  59          2HH2      ARG  59   9.682  10.800   2.081
  435   2HH2  ARG  59          1HH2      ARG  59   9.022  10.859   0.468
  436    H    ASN  60           H        ASN  60  14.180   5.973   4.407
  437    HA   ASN  60           HA       ASN  60  16.948   6.073   3.712
  438   1HB   ASN  60          2HB       ASN  60  16.226   6.831   5.899
  439   2HB   ASN  60          1HB       ASN  60  15.562   5.244   6.272
  440   1HD2  ASN  60          1HD2      ASN  60  16.757   4.082   7.556
  441   2HD2  ASN  60          2HD2      ASN  60  18.483   4.144   7.695
  442    H    ASP  61           H        ASP  61  14.701   3.471   4.568
  443    HA   ASP  61           HA       ASP  61  16.545   1.369   4.687
  444   1HB   ASP  61          2HB       ASP  61  13.634   1.622   4.466
  445   2HB   ASP  61          1HB       ASP  61  14.281   0.146   3.754
  446    H    TYR  62           H        TYR  62  14.768   2.703   1.953
  447    HA   TYR  62           HA       TYR  62  15.344   0.757   0.074
  448   1HB   TYR  62          2HB       TYR  62  13.783   2.610  -0.337
  449   2HB   TYR  62          1HB       TYR  62  15.136   3.739  -0.401
  450    HD1  TYR  62           1HD      TYR  62  16.416   3.999  -2.377
  451    HD2  TYR  62           2HD      TYR  62  13.577   0.845  -2.087
  452    HE1  TYR  62           1HE      TYR  62  16.693   3.546  -4.775
  453    HE2  TYR  62           2HE      TYR  62  13.841   0.384  -4.492
  454    HH   TYR  62           HH       TYR  62  14.774   2.186  -6.626
  455    H    ILE  63           H        ILE  63  17.302   3.509   1.094
  456    HA   ILE  63           HA       ILE  63  19.333   3.108  -0.862
  457    HB   ILE  63           HB       ILE  63  19.721   4.562   1.746
  458   1HG1  ILE  63          2HG1      ILE  63  17.606   5.336   0.765
  459   1HG2  ILE  63          1HG2      ILE  63  20.792   5.546  -0.829
  460   2HG2  ILE  63          2HG2      ILE  63  21.513   5.555   0.780
  461   3HG2  ILE  63          3HG2      ILE  63  21.508   4.073  -0.176
  462   1HD1  ILE  63          1HD1      ILE  63  17.352   6.239  -1.367
  463   2HD1  ILE  63          2HD1      ILE  63  19.092   6.274  -1.657
  464   3HD1  ILE  63          3HD1      ILE  63  18.236   4.733  -1.628
  465    H    ARG  64           H        ARG  64  18.616   1.658   2.158
  466    HA   ARG  64           HA       ARG  64  21.303   0.621   2.557
  467   1HB   ARG  64          2HB       ARG  64  18.824  -0.283   4.008
  468   2HB   ARG  64          1HB       ARG  64  20.493  -0.351   4.554
  469   1HG   ARG  64          2HG       ARG  64  20.401   2.218   4.437
  470   2HG   ARG  64          1HG       ARG  64  18.650   1.996   4.414
  471   1HD   ARG  64          2HD       ARG  64  18.766   1.943   6.641
  472   2HD   ARG  64          1HD       ARG  64  19.484   0.342   6.462
  473    HE   ARG  64           HE       ARG  64  21.226   2.710   6.440
  474   1HH1  ARG  64          2HH1      ARG  64  20.073  -0.172   8.085
  475   2HH1  ARG  64          1HH1      ARG  64  21.444  -0.256   9.151
  476   1HH2  ARG  64          2HH2      ARG  64  23.029   2.583   7.825
  477   2HH2  ARG  64          1HH2      ARG  64  23.127   1.300   8.997
  478    H    LEU  65           H        LEU  65  18.113  -0.552   1.596
  479    HA   LEU  65           HA       LEU  65  18.945  -3.258   1.336
  480   1HB   LEU  65          2HB       LEU  65  16.514  -1.831   1.348
  481   2HB   LEU  65          1HB       LEU  65  16.572  -2.695  -0.178
  482    HG   LEU  65           HG       LEU  65  17.164  -4.760   1.267
  483   1HD1  LEU  65          1HD1      LEU  65  17.172  -4.562   3.476
  484   2HD1  LEU  65          2HD1      LEU  65  16.999  -2.817   3.280
  485   3HD1  LEU  65          3HD1      LEU  65  15.566  -3.832   3.460
  486   1HD2  LEU  65          1HD2      LEU  65  14.934  -4.024   0.083
  487   2HD2  LEU  65          2HD2      LEU  65  14.979  -5.412   1.169
  488   3HD2  LEU  65          3HD2      LEU  65  14.373  -3.862   1.746
  489    H    PHE  66           H        PHE  66  18.342  -0.661  -1.026
  490    HA   PHE  66           HA       PHE  66  19.491  -2.434  -3.086
  491   1HB   PHE  66          2HB       PHE  66  17.482  -0.195  -3.427
  492   2HB   PHE  66          1HB       PHE  66  18.160  -1.161  -4.735
  493    HD1  PHE  66           1HD      PHE  66  15.845  -1.138  -1.902
  494    HD2  PHE  66           2HD      PHE  66  17.468  -3.444  -5.089
  495    HE1  PHE  66           1HE      PHE  66  14.067  -2.808  -1.596
  496    HE2  PHE  66           2HE      PHE  66  15.692  -5.118  -4.786
  497    HZ   PHE  66           HZ       PHE  66  13.989  -4.801  -3.037
  498    H    GLY  67           H        GLY  67  19.271   0.914  -1.965
  499   1HA   GLY  67          1HA       GLY  67  20.745   2.658  -2.122
  500   2HA   GLY  67          2HA       GLY  67  21.994   1.434  -2.297
  501    H    ASN  68           H        ASN  68  23.077   1.384  -4.115
  502    HA   ASN  68           HA       ASN  68  23.728   1.682  -6.266
  503   1HB   ASN  68          2HB       ASN  68  21.435   0.872  -6.899
  504   2HB   ASN  68          1HB       ASN  68  20.912   2.554  -6.931
  505   1HD2  ASN  68          1HD2      ASN  68  23.317   0.351  -8.294
  506   2HD2  ASN  68          2HD2      ASN  68  23.422   1.138  -9.835
  507    H    SER  69           H        SER  69  21.297   4.198  -5.657
  508    HA   SER  69           HA       SER  69  23.346   6.212  -6.278
  509   1HB   SER  69          2HB       SER  69  20.673   7.268  -5.955
  510   2HB   SER  69          1HB       SER  69  21.734   7.341  -7.363
  511    HG   SER  69           HG       SER  69  20.623   5.786  -8.248
  512    H    GLY  70           H        GLY  70  24.258   7.151  -4.578
  513   1HA   GLY  70          1HA       GLY  70  23.258   6.739  -1.934
  514   2HA   GLY  70          2HA       GLY  70  24.656   7.709  -2.381
  515    H    ALA  71           H        ALA  71  21.331   7.695  -1.587
  516    HA   ALA  71           HA       ALA  71  20.774  10.374  -2.421
  517   1HB   ALA  71          1HB       ALA  71  19.281   8.137  -1.454
  518   2HB   ALA  71          2HB       ALA  71  18.872   9.564  -0.501
  519   3HB   ALA  71          3HB       ALA  71  18.699   9.596  -2.256
  520    H    GLY  72           H        GLY  72  21.105  12.202  -1.349
  521   1HA   GLY  72          1HA       GLY  72  21.696  12.038   1.541
  522   2HA   GLY  72          2HA       GLY  72  22.461  13.200   0.464
  523    H    GLY  73           H        GLY  73  19.405  12.256   1.952
  524   1HA   GLY  73          1HA       GLY  73  18.585  14.822   2.611
  525   2HA   GLY  73          2HA       GLY  73  17.943  14.503   1.007
  526    H    SER  74           H        SER  74  17.335  14.289   4.260
  527    HA   SER  74           HA       SER  74  15.533  11.997   4.035
  528   1HB   SER  74          2HB       SER  74  15.574  13.469   6.581
  529   2HB   SER  74          1HB       SER  74  15.790  11.745   6.269
  530    HG   SER  74           HG       SER  74  17.944  12.290   5.535
  531    H    GLY  75           H        GLY  75  15.468  15.389   3.821
  532   1HA   GLY  75          1HA       GLY  75  12.775  15.540   3.124
  533   2HA   GLY  75          2HA       GLY  75  12.886  15.939   4.834
  534    H    GLY  76           H        GLY  76  12.809  17.227   1.822
  535   1HA   GLY  76          1HA       GLY  76  14.050  19.715   2.788
  536   2HA   GLY  76          2HA       GLY  76  14.489  19.078   1.210
  537    H    HIS  77           H        HIS  77  13.168  19.409  -0.508
  538    HA   HIS  77           HA       HIS  77  10.460  20.359  -0.164
  539   1HB   HIS  77          2HB       HIS  77  12.649  22.219  -0.602
  540   2HB   HIS  77          1HB       HIS  77  11.482  22.281  -1.918
  541    HD1  HIS  77           1HD      HIS  77  11.596  24.760  -0.413
  542    HD2  HIS  77           2HD      HIS  77   9.257  21.584   0.895
  543    HE1  HIS  77           1HE      HIS  77   9.850  25.778   1.084
  544    HE2  HIS  77           2HE      HIS  77   8.612  23.811   2.054
  545    H    MET  78           H        MET  78  12.656  21.052  -2.840
  546    HA   MET  78           HA       MET  78  10.977  19.647  -4.701
  547   1HB   MET  78          2HB       MET  78  12.122  21.629  -5.467
  548   2HB   MET  78          1HB       MET  78  13.681  20.973  -4.991
  549   1HG   MET  78          2HG       MET  78  13.400  20.860  -7.389
  550   2HG   MET  78          1HG       MET  78  13.477  19.240  -6.697
  551   1HE   MET  78          1HE       MET  78  12.667  20.162  -9.472
  552   2HE   MET  78          2HE       MET  78  12.172  18.472  -9.392
  553   3HE   MET  78          3HE       MET  78  11.026  19.702  -9.926
  554    H    GLY  79           H        GLY  79  10.967  17.514  -4.803
  555   1HA   GLY  79          1HA       GLY  79  12.107  15.481  -5.407
  556   2HA   GLY  79          2HA       GLY  79  13.541  16.096  -4.595
  557    H    SER  80           H        SER  80  11.018  16.927  -2.703
  558    HA   SER  80           HA       SER  80  10.068  16.194  -0.788
  559   1HB   SER  80          2HB       SER  80  10.681  13.376  -1.682
  560   2HB   SER  80          1HB       SER  80   9.420  13.904  -0.565
  561    HG   SER  80           HG       SER  80   8.839  15.259  -2.611
  562    H    GLY  81           H        GLY  81  12.636  13.760  -1.278
  563   1HA   GLY  81          1HA       GLY  81  13.584  14.086   1.433
  564   2HA   GLY  81          2HA       GLY  81  14.317  13.089   0.182
  565    H    GLY  82           H        GLY  82  14.543  15.108  -1.787
  566   1HA   GLY  82          1HA       GLY  82  16.851  16.573  -0.771
  567   2HA   GLY  82          2HA       GLY  82  16.338  16.464  -2.453
  568    H    ASP  83           H        ASP  83  16.989  18.891  -1.751
  569    HA   ASP  83           HA       ASP  83  14.426  20.258  -1.218
  570   1HB   ASP  83          2HB       ASP  83  15.821  20.641   0.691
  571   2HB   ASP  83          1HB       ASP  83  17.213  21.009  -0.320
  572    H    VAL  84           H        VAL  84  17.555  20.409  -2.796
  573    HA   VAL  84           HA       VAL  84  16.953  20.987  -5.311
  574    HB   VAL  84           HB       VAL  84  15.786  23.103  -4.140
  575   1HG1  VAL  84          1HG1      VAL  84  18.549  24.128  -4.780
  576   2HG1  VAL  84          2HG1      VAL  84  17.160  25.093  -4.276
  577   3HG1  VAL  84          3HG1      VAL  84  17.886  23.938  -3.158
  578   1HG2  VAL  84          1HG2      VAL  84  16.982  22.629  -6.784
  579   2HG2  VAL  84          2HG2      VAL  84  15.330  23.061  -6.341
  580   3HG2  VAL  84          3HG2      VAL  84  16.576  24.307  -6.424
  581    H    MET  85           H        MET  85  18.848  21.671  -2.564
  582    HA   MET  85           HA       MET  85  21.290  21.204  -4.065
  583   1HB   MET  85          2HB       MET  85  21.710  23.451  -3.993
  584   2HB   MET  85          1HB       MET  85  20.588  23.720  -2.671
  585   1HG   MET  85          2HG       MET  85  22.475  22.476  -1.300
  586   2HG   MET  85          1HG       MET  85  23.481  23.090  -2.612
  587   1HE   MET  85          1HE       MET  85  24.819  25.683  -1.553
  588   2HE   MET  85          2HE       MET  85  24.463  25.337   0.138
  589   3HE   MET  85          3HE       MET  85  24.814  24.017  -0.979
  590    H    VAL  86           H        VAL  86  22.897  20.185  -2.763
  591    HA   VAL  86           HA       VAL  86  21.766  18.561  -0.726
  592    HB   VAL  86           HB       VAL  86  24.272  17.882  -0.403
  593   1HG1  VAL  86          1HG1      VAL  86  22.250  16.852  -1.796
  594   2HG1  VAL  86          2HG1      VAL  86  23.332  17.235  -3.136
  595   3HG1  VAL  86          3HG1      VAL  86  23.877  16.172  -1.839
  596   1HG2  VAL  86          1HG2      VAL  86  25.390  19.665  -1.491
  597   2HG2  VAL  86          2HG2      VAL  86  25.541  18.268  -2.558
  598   3HG2  VAL  86          3HG2      VAL  86  24.364  19.533  -2.920
  599    H    VAL  87           H        VAL  87  21.052  20.248   0.724
  600    HA   VAL  87           HA       VAL  87  23.077  21.705   2.212
  601    HB   VAL  87           HB       VAL  87  20.105  21.668   2.751
  602   1HG1  VAL  87          1HG1      VAL  87  21.967  22.675   4.329
  603   2HG1  VAL  87          2HG1      VAL  87  21.860  24.025   3.198
  604   3HG1  VAL  87          3HG1      VAL  87  20.425  23.496   4.079
  605   1HG2  VAL  87          1HG2      VAL  87  20.638  22.259   0.372
  606   2HG2  VAL  87          2HG2      VAL  87  19.825  23.530   1.287
  607   3HG2  VAL  87          3HG2      VAL  87  21.559  23.631   0.988
  608    H    GLY  88           H        GLY  88  20.504  19.347   2.925
  609   1HA   GLY  88          1HA       GLY  88  21.140  19.072   5.668
  610   2HA   GLY  88          2HA       GLY  88  20.189  17.943   4.715
  611    H    GLU  89           H        GLU  89  21.873  16.986   2.896
  612    HA   GLU  89           HA       GLU  89  24.247  16.042   4.343
  613   1HB   GLU  89          2HB       GLU  89  22.739  14.156   2.563
  614   2HB   GLU  89          1HB       GLU  89  23.883  13.792   3.848
  615   1HG   GLU  89          2HG       GLU  89  22.046  14.820   5.386
  616   2HG   GLU  89          1HG       GLU  89  20.985  14.467   4.023
  617    HA   PRO  90           HA       PRO  90  25.631  17.709   0.394
  618   1HB   PRO  90          2HB       PRO  90  28.257  17.888   1.085
  619   2HB   PRO  90          1HB       PRO  90  27.046  19.079   1.570
  620   1HG   PRO  90          2HG       PRO  90  28.194  16.799   3.130
  621   2HG   PRO  90          1HG       PRO  90  27.852  18.458   3.658
  622   1HD   PRO  90          2HD       PRO  90  26.210  16.380   4.223
  623   2HD   PRO  90          1HD       PRO  90  25.610  18.032   3.969
  624    H    THR  91           H        THR  91  25.015  15.398  -0.262
  625    HA   THR  91           HA       THR  91  27.036  13.404  -0.330
  626    HB   THR  91           HB       THR  91  25.256  12.792  -2.376
  627    HG1  THR  91           1HG      THR  91  23.753  14.299  -1.991
  628   1HG2  THR  91          1HG2      THR  91  25.496  12.089   0.514
  629   2HG2  THR  91          2HG2      THR  91  25.740  11.080  -0.910
  630   3HG2  THR  91          3HG2      THR  91  24.107  11.503  -0.399
  631    H    LEU  92           H        LEU  92  28.818  14.624  -1.209
  632    HA   LEU  92           HA       LEU  92  28.784  15.680  -3.854
  633   1HB   LEU  92          2HB       LEU  92  31.083  14.781  -2.110
  634   2HB   LEU  92          1HB       LEU  92  31.268  15.630  -3.633
  635    HG   LEU  92           HG       LEU  92  29.803  16.767  -1.255
  636   1HD1  LEU  92          1HD1      LEU  92  31.760  18.057  -0.769
  637   2HD1  LEU  92          2HD1      LEU  92  32.211  16.354  -0.796
  638   3HD1  LEU  92          3HD1      LEU  92  32.605  17.391  -2.166
  639   1HD2  LEU  92          1HD2      LEU  92  29.403  18.595  -2.494
  640   2HD2  LEU  92          2HD2      LEU  92  30.968  18.515  -3.304
  641   3HD2  LEU  92          3HD2      LEU  92  29.634  17.503  -3.859
  642    H    MET  93           H        MET  93  29.625  12.603  -2.404
  643    HA   MET  93           HA       MET  93  30.036  11.440  -5.071
  644   1HB   MET  93          2HB       MET  93  31.465  11.010  -2.819
  645   2HB   MET  93          1HB       MET  93  30.255   9.743  -2.650
  646   1HG   MET  93          2HG       MET  93  31.508   8.485  -3.965
  647   2HG   MET  93          1HG       MET  93  31.096   9.570  -5.291
  648   1HE   MET  93          1HE       MET  93  33.183  11.417  -6.357
  649   2HE   MET  93          2HE       MET  93  34.373  10.132  -6.563
  650   3HE   MET  93          3HE       MET  93  32.654   9.779  -6.736
  651    H    GLY  94           H        GLY  94  27.571  12.232  -4.902
  652   1HA   GLY  94          1HA       GLY  94  25.945   9.961  -5.139
  653   2HA   GLY  94          2HA       GLY  94  25.717  10.633  -3.529
  654    H    GLY  95           H        GLY  95  23.580  11.253  -3.918
  655   1HA   GLY  95          1HA       GLY  95  23.268  13.863  -4.987
  656   2HA   GLY  95          2HA       GLY  95  22.639  12.673  -6.119
  657    H    GLU  96           H        GLU  96  20.844  14.411  -5.210
  658    HA   GLU  96           HA       GLU  96  19.572  13.378  -2.826
  659   1HB   GLU  96          2HB       GLU  96  18.338  15.369  -4.703
  660   2HB   GLU  96          1HB       GLU  96  18.086  15.188  -2.973
  661   1HG   GLU  96          2HG       GLU  96  19.477  16.917  -2.784
  662   2HG   GLU  96          1HG       GLU  96  20.750  15.737  -3.093
  663    H    PHE  97           H        PHE  97  19.306  11.209  -3.702
  664    HA   PHE  97           HA       PHE  97  17.385  10.786  -5.809
  665   1HB   PHE  97          2HB       PHE  97  19.390   9.258  -4.849
  666   2HB   PHE  97          1HB       PHE  97  18.043   8.575  -3.944
  667    HD1  PHE  97           1HD      PHE  97  19.036   9.490  -7.408
  668    HD2  PHE  97           2HD      PHE  97  16.757   6.927  -4.897
  669    HE1  PHE  97           1HE      PHE  97  18.409   8.138  -9.369
  670    HE2  PHE  97           2HE      PHE  97  16.133   5.562  -6.846
  671    HZ   PHE  97           HZ       PHE  97  16.956   6.169  -9.087
  672    H    GLY  98           H        GLY  98  15.959  12.315  -4.500
  673   1HA   GLY  98          1HA       GLY  98  14.680  11.155  -2.190
  674   2HA   GLY  98          2HA       GLY  98  14.356  12.736  -2.882
  675    H    ASP  99           H        ASP  99  13.325  12.537  -5.178
  676    HA   ASP  99           HA       ASP  99  11.047  10.709  -4.837
  677   1HB   ASP  99          2HB       ASP  99   9.638  12.365  -5.480
  678   2HB   ASP  99          1HB       ASP  99  10.957  13.392  -4.939
  679    H    GLU 100           H        GLU 100  13.766  10.682  -6.408
  680    HA   GLU 100           HA       GLU 100  13.203  10.488  -9.125
  681   1HB   GLU 100          2HB       GLU 100  15.327   8.842  -7.785
  682   2HB   GLU 100          1HB       GLU 100  15.355   9.592  -9.376
  683   1HG   GLU 100          2HG       GLU 100  15.077  11.433  -7.099
  684   2HG   GLU 100          1HG       GLU 100  16.615  10.579  -7.222
  685    H    ASP 101           H        ASP 101  13.128   7.936  -6.628
  686    HA   ASP 101           HA       ASP 101  11.977   6.165  -8.691
  687   1HB   ASP 101          2HB       ASP 101  14.382   5.733  -7.772
  688   2HB   ASP 101          1HB       ASP 101  13.535   5.076  -6.377
  689    H    GLU 102           H        GLU 102  10.814   7.858  -6.332
  690    HA   GLU 102           HA       GLU 102   9.359   5.659  -5.033
  691   1HB   GLU 102          2HB       GLU 102   8.474   7.627  -3.578
  692   2HB   GLU 102          1HB       GLU 102  10.100   7.013  -3.309
  693   1HG   GLU 102          2HG       GLU 102  10.970   9.005  -3.712
  694   2HG   GLU 102          1HG       GLU 102  10.164   9.089  -5.276
  695    H    ARG 103           H        ARG 103   7.500   8.319  -4.630
  696    HA   ARG 103           HA       ARG 103   5.544   9.074  -5.474
  697   1HB   ARG 103          2HB       ARG 103   6.939   8.325  -8.036
  698   2HB   ARG 103          1HB       ARG 103   5.335   9.047  -8.027
  699   1HG   ARG 103          2HG       ARG 103   6.794  10.715  -6.388
  700   2HG   ARG 103          1HG       ARG 103   7.941  10.274  -7.658
  701   1HD   ARG 103          2HD       ARG 103   6.732  11.300  -9.296
  702   2HD   ARG 103          1HD       ARG 103   5.191  11.023  -8.484
  703    HE   ARG 103           HE       ARG 103   7.129  13.058  -7.587
  704   1HH1  ARG 103          2HH1      ARG 103   3.865  12.119  -8.462
  705   2HH1  ARG 103          1HH1      ARG 103   3.151  13.592  -7.862
  706   1HH2  ARG 103          2HH2      ARG 103   6.212  15.006  -6.865
  707   2HH2  ARG 103          1HH2      ARG 103   4.493  15.243  -6.977
  708    H    LEU 104           H        LEU 104   5.893   6.190  -4.765
  709    HA   LEU 104           HA       LEU 104   3.812   4.988  -6.436
  710   1HB   LEU 104          2HB       LEU 104   6.151   3.967  -5.279
  711   2HB   LEU 104          1HB       LEU 104   4.833   3.253  -4.371
  712    HG   LEU 104           HG       LEU 104   4.270   3.108  -7.192
  713   1HD1  LEU 104          1HD1      LEU 104   7.031   2.686  -6.463
  714   2HD1  LEU 104          2HD1      LEU 104   6.297   1.210  -7.090
  715   3HD1  LEU 104          3HD1      LEU 104   6.273   2.685  -8.056
  716   1HD2  LEU 104          1HD2      LEU 104   3.280   1.747  -5.369
  717   2HD2  LEU 104          2HD2      LEU 104   3.935   0.784  -6.697
  718   3HD2  LEU 104          3HD2      LEU 104   4.835   0.933  -5.186
  719    H    ILE 105           H        ILE 105   3.488   7.063  -4.256
  720    HA   ILE 105           HA       ILE 105   1.493   5.564  -2.697
  721    HB   ILE 105           HB       ILE 105   3.327   7.757  -1.856
  722   1HG1  ILE 105          2HG1      ILE 105   2.156   5.272  -0.610
  723   1HG2  ILE 105          1HG2      ILE 105   0.715   7.384  -0.414
  724   2HG2  ILE 105          2HG2      ILE 105   1.918   8.660  -0.210
  725   3HG2  ILE 105          3HG2      ILE 105   0.922   8.610  -1.664
  726   1HD1  ILE 105          1HD1      ILE 105   3.050   5.677   1.431
  727   2HD1  ILE 105          2HD1      ILE 105   4.287   6.765   0.801
  728   3HD1  ILE 105          3HD1      ILE 105   2.625   7.330   0.981
  729    H    THR 106           H        THR 106  -0.506   5.986  -3.291
  730    HA   THR 106           HA       THR 106  -1.118   8.650  -4.383
  731    HB   THR 106           HB       THR 106  -2.476   5.990  -4.872
  732    HG1  THR 106           1HG      THR 106  -1.327   7.857  -6.698
  733   1HG2  THR 106          1HG2      THR 106  -4.371   7.015  -5.460
  734   2HG2  THR 106          2HG2      THR 106  -3.493   8.160  -6.475
  735   3HG2  THR 106          3HG2      THR 106  -3.722   8.498  -4.759
  736    H    ARG 107           H        ARG 107  -1.869   9.847  -2.767
  737    HA   ARG 107           HA       ARG 107  -3.573   8.519  -0.770
  738   1HB   ARG 107          2HB       ARG 107  -1.319   9.149   0.038
  739   2HB   ARG 107          1HB       ARG 107  -1.668  10.826  -0.354
  740   1HG   ARG 107          2HG       ARG 107  -3.725   9.691   1.327
  741   2HG   ARG 107          1HG       ARG 107  -2.125   9.552   2.062
  742   1HD   ARG 107          2HD       ARG 107  -1.774  11.862   2.010
  743   2HD   ARG 107          1HD       ARG 107  -3.058  12.112   0.826
  744    HE   ARG 107           HE       ARG 107  -4.625  12.081   2.521
  745   1HH1  ARG 107          2HH1      ARG 107  -1.472  11.206   3.787
  746   2HH1  ARG 107          1HH1      ARG 107  -1.956  11.372   5.447
  747   1HH2  ARG 107          2HH2      ARG 107  -5.253  12.311   4.686
  748   2HH2  ARG 107          1HH2      ARG 107  -4.097  12.003   5.957
  749    H    LEU 108           H        LEU 108  -5.572   9.062  -1.352
  750    HA   LEU 108           HA       LEU 108  -6.254  11.903  -1.264
  751   1HB   LEU 108          2HB       LEU 108  -6.991   9.956  -3.435
  752   2HB   LEU 108          1HB       LEU 108  -7.989  11.357  -3.094
  753    HG   LEU 108           HG       LEU 108  -5.063  11.606  -3.742
  754   1HD1  LEU 108          1HD1      LEU 108  -5.420  11.211  -5.889
  755   2HD1  LEU 108          2HD1      LEU 108  -7.039  10.647  -5.477
  756   3HD1  LEU 108          3HD1      LEU 108  -6.778  12.334  -5.915
  757   1HD2  LEU 108          1HD2      LEU 108  -6.654  13.438  -2.677
  758   2HD2  LEU 108          2HD2      LEU 108  -5.435  13.847  -3.883
  759   3HD2  LEU 108          3HD2      LEU 108  -7.119  13.652  -4.365
  760    H    GLU 109           H        GLU 109  -7.446  12.062   0.429
  761    HA   GLU 109           HA       GLU 109  -8.837   9.938   1.635
  762   1HB   GLU 109          2HB       GLU 109 -10.002  12.191   2.671
  763   2HB   GLU 109          1HB       GLU 109  -8.521  11.448   3.258
  764   1HG   GLU 109          2HG       GLU 109  -8.270  13.402   1.053
  765   2HG   GLU 109          1HG       GLU 109  -8.686  14.022   2.652
  766    H    ASN 110           H        ASN 110 -11.189   9.957   2.109
  767    HA   ASN 110           HA       ASN 110 -12.730   9.803  -0.218
  768   1HB   ASN 110          2HB       ASN 110 -13.079   9.010   2.356
  769   2HB   ASN 110          1HB       ASN 110 -14.207  10.360   2.279
  770   1HD2  ASN 110          1HD2      ASN 110 -16.173   9.836   1.721
  771   2HD2  ASN 110          2HD2      ASN 110 -16.634   8.500   0.714
  772    H    THR 111           H        THR 111 -12.292  12.389   2.089
  773    HA   THR 111           HA       THR 111 -13.691  14.211   0.252
  774    HB   THR 111           HB       THR 111 -13.197  14.912   3.131
  775    HG1  THR 111           1HG      THR 111 -15.425  13.455   2.075
  776   1HG2  THR 111          1HG2      THR 111 -13.981  16.520   1.237
  777   2HG2  THR 111          2HG2      THR 111 -14.791  16.568   2.803
  778   3HG2  THR 111          3HG2      THR 111 -15.540  15.722   1.449
  779    H    GLN 112           H        GLN 112 -11.825  14.501  -0.978
  780    HA   GLN 112           HA       GLN 112  -9.407  15.462   0.345
  781   1HB   GLN 112          2HB       GLN 112  -8.758  15.503  -2.273
  782   2HB   GLN 112          1HB       GLN 112  -8.617  14.075  -1.261
  783   1HG   GLN 112          2HG       GLN 112 -10.295  13.001  -2.301
  784   2HG   GLN 112          1HG       GLN 112 -11.236  14.472  -2.539
  785   1HE2  GLN 112          1HE2      GLN 112 -10.069  12.119  -4.234
  786   2HE2  GLN 112          2HE2      GLN 112  -9.510  12.939  -5.658
  787    H    PHE 113           H        PHE 113 -11.468  17.200   0.628
  788    HA   PHE 113           HA       PHE 113 -11.255  19.286  -1.387
  789   1HB   PHE 113          2HB       PHE 113 -12.961  18.793   1.021
  790   2HB   PHE 113          1HB       PHE 113 -12.766  20.450   0.464
  791    HD1  PHE 113           1HD      PHE 113 -14.716  21.098  -0.559
  792    HD2  PHE 113           2HD      PHE 113 -13.139  17.234  -1.389
  793    HE1  PHE 113           1HE      PHE 113 -16.486  20.737  -2.228
  794    HE2  PHE 113           2HE      PHE 113 -14.903  16.868  -3.064
  795    HZ   PHE 113           HZ       PHE 113 -16.578  18.624  -3.488
  796    H    ASP 114           H        ASP 114 -11.323  21.601   0.060
  797    HA   ASP 114           HA       ASP 114  -8.644  22.055   0.785
  798   1HB   ASP 114          2HB       ASP 114  -9.886  23.977   0.190
  799   2HB   ASP 114          1HB       ASP 114 -11.187  23.587   1.310
  800    H    ALA 115           H        ALA 115 -11.528  21.529   2.750
  801    HA   ALA 115           HA       ALA 115  -9.928  21.238   5.172
  802   1HB   ALA 115          1HB       ALA 115 -12.820  21.445   4.551
  803   2HB   ALA 115          2HB       ALA 115 -12.360  20.533   5.990
  804   3HB   ALA 115          3HB       ALA 115 -11.876  22.221   5.821
  805    H    ALA 116           H        ALA 116  -8.739  19.456   4.092
  806    HA   ALA 116           HA       ALA 116 -10.090  17.025   3.470
  807   1HB   ALA 116          1HB       ALA 116  -8.163  17.244   2.243
  808   2HB   ALA 116          2HB       ALA 116  -7.241  17.894   3.598
  809   3HB   ALA 116          3HB       ALA 116  -7.612  16.171   3.532
  810    H    ASN 117           H        ASN 117 -11.221  16.988   5.591
  811    HA   ASN 117           HA       ASN 117 -10.137  14.932   7.223
  812   1HB   ASN 117          2HB       ASN 117  -8.975  17.067   8.092
  813   2HB   ASN 117          1HB       ASN 117 -10.560  17.539   8.692
  814   1HD2  ASN 117          1HD2      ASN 117  -9.175  17.487  10.707
  815   2HD2  ASN 117          2HD2      ASN 117  -9.170  15.991  11.591
  816    H    GLY 118           H        GLY 118 -11.701  14.393   9.011
  817   1HA   GLY 118          1HA       GLY 118 -14.332  14.384   7.941
  818   2HA   GLY 118          2HA       GLY 118 -13.851  13.760   9.512
  819    H    ILE 119           H        ILE 119 -13.605  15.307  11.268
  820    HA   ILE 119           HA       ILE 119 -14.621  16.787  12.667
  821    HB   ILE 119           HB       ILE 119 -14.596  18.743  10.373
  822   1HG1  ILE 119          2HG1      ILE 119 -12.417  17.550  10.467
  823   1HG2  ILE 119          1HG2      ILE 119 -15.220  18.937  13.118
  824   2HG2  ILE 119          2HG2      ILE 119 -13.695  19.788  12.870
  825   3HG2  ILE 119          3HG2      ILE 119 -15.116  20.234  11.925
  826   1HD1  ILE 119          1HD1      ILE 119 -10.910  17.838  12.316
  827   2HD1  ILE 119          2HD1      ILE 119 -12.144  18.709  13.228
  828   3HD1  ILE 119          3HD1      ILE 119 -12.363  16.999  12.859
  829    H    ASP 120           H        ASP 120 -16.493  15.222  12.176
  830    HA   ASP 120           HA       ASP 120 -18.724  16.653  10.904
  831   1HB   ASP 120          2HB       ASP 120 -17.970  14.377  10.042
  832   2HB   ASP 120          1HB       ASP 120 -18.607  13.708  11.540
  833    H    ASP 121           H        ASP 121 -20.864  16.296  11.841
  834    HA   ASP 121           HA       ASP 121 -20.901  15.614  14.673
  835   1HB   ASP 121          2HB       ASP 121 -20.666  18.228  14.135
  836   2HB   ASP 121          1HB       ASP 121 -22.409  18.075  13.943
  837    H    GLU 122           H        GLU 122 -23.190  15.483  15.451
  838    HA   GLU 122           HA       GLU 122 -24.688  13.980  13.500
  839   1HB   GLU 122          2HB       GLU 122 -25.710  14.616  16.245
  840   2HB   GLU 122          1HB       GLU 122 -25.945  13.164  15.281
  841   1HG   GLU 122          2HG       GLU 122 -23.867  12.310  15.818
  842   2HG   GLU 122          1HG       GLU 122 -23.223  13.890  16.264
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -22.799   2.537   3.522
    2   2H    GLY   1          2H        GLY   1 -21.508   3.555   3.928
    3   3H    GLY   1          3H        GLY   1 -21.468   1.918   4.376
    4   1HA   GLY   1          2HA       GLY   1 -21.154   3.111   1.695
    5   2HA   GLY   1          1HA       GLY   1 -20.055   2.037   2.547
    6    H    SER   2           H        SER   2 -22.648   2.270   0.355
    7    HA   SER   2           HA       SER   2 -23.701  -0.354   0.564
    8   1HB   SER   2          2HB       SER   2 -23.630   1.093  -2.058
    9   2HB   SER   2          1HB       SER   2 -24.944   0.175  -1.321
   10    HG   SER   2           HG       SER   2 -25.169   1.890   0.205
   11    H    LEU   3           H        LEU   3 -21.179   1.072  -1.488
   12    HA   LEU   3           HA       LEU   3 -20.373  -1.546  -2.483
   13   1HB   LEU   3          2HB       LEU   3 -20.150   0.346  -3.992
   14   2HB   LEU   3          1HB       LEU   3 -19.170   1.204  -2.820
   15    HG   LEU   3           HG       LEU   3 -17.770  -1.149  -3.198
   16   1HD1  LEU   3          1HD1      LEU   3 -19.436  -0.659  -5.515
   17   2HD1  LEU   3          2HD1      LEU   3 -17.719  -0.636  -5.916
   18   3HD1  LEU   3          3HD1      LEU   3 -18.420  -2.047  -5.125
   19   1HD2  LEU   3          1HD2      LEU   3 -16.202   0.287  -4.452
   20   2HD2  LEU   3          2HD2      LEU   3 -17.444   1.534  -4.532
   21   3HD2  LEU   3          3HD2      LEU   3 -16.787   1.045  -2.971
   22    H    SER   4           H        SER   4 -18.846  -2.776  -1.545
   23    HA   SER   4           HA       SER   4 -17.944  -2.008   1.055
   24   1HB   SER   4          2HB       SER   4 -17.139  -4.501  -0.409
   25   2HB   SER   4          1HB       SER   4 -17.308  -4.250   1.329
   26    HG   SER   4           HG       SER   4 -19.626  -3.763   0.686
   27    H    TRP   5           H        TRP   5 -16.795  -0.323  -0.789
   28    HA   TRP   5           HA       TRP   5 -14.795   0.593  -1.436
   29   1HB   TRP   5          2HB       TRP   5 -13.638  -0.566   1.067
   30   2HB   TRP   5          1HB       TRP   5 -13.537   1.080   0.444
   31    HD1  TRP   5           HD       TRP   5 -16.048   2.403   0.539
   32    HE1  TRP   5           1HE      TRP   5 -17.719   2.433   2.501
   33    HE3  TRP   5           3HE      TRP   5 -14.456  -1.779   2.962
   34    HZ2  TRP   5           2HZ      TRP   5 -18.284   0.847   4.788
   35    HZ3  TRP   5           3HZ      TRP   5 -15.603  -2.475   5.016
   36    HH2  TRP   5           HH       TRP   5 -17.483  -1.188   5.914
   37    H    LYS   6           H        LYS   6 -12.334  -0.735  -0.010
   38    HA   LYS   6           HA       LYS   6 -11.867  -2.892  -1.931
   39   1HB   LYS   6          2HB       LYS   6 -10.701  -0.327  -2.054
   40   2HB   LYS   6          1HB       LYS   6  -9.458  -1.391  -1.417
   41   1HG   LYS   6          2HG       LYS   6  -9.356  -1.163  -3.848
   42   2HG   LYS   6          1HG       LYS   6  -9.645  -2.831  -3.344
   43   1HD   LYS   6          2HD       LYS   6 -11.349  -2.822  -4.794
   44   2HD   LYS   6          1HD       LYS   6 -12.190  -1.783  -3.639
   45   1HE   LYS   6          2HE       LYS   6 -11.280   0.190  -4.748
   46   2HE   LYS   6          1HE       LYS   6 -10.425  -0.841  -5.894
   47   1HZ   LYS   6          1HZ       LYS   6 -13.309  -0.305  -5.676
   48   2HZ   LYS   6          2HZ       LYS   6 -12.775  -1.750  -6.387
   49   3HZ   LYS   6          3HZ       LYS   6 -12.308  -0.258  -7.043
   50    H    ARG   7           H        ARG   7  -9.567  -3.866  -1.265
   51    HA   ARG   7           HA       ARG   7  -9.731  -4.351   1.629
   52   1HB   ARG   7          2HB       ARG   7 -10.031  -6.331   0.231
   53   2HB   ARG   7          1HB       ARG   7  -8.508  -6.008  -0.586
   54   1HG   ARG   7          2HG       ARG   7  -8.096  -6.152   2.251
   55   2HG   ARG   7          1HG       ARG   7  -8.933  -7.595   1.672
   56   1HD   ARG   7          2HD       ARG   7  -7.064  -8.373   0.758
   57   2HD   ARG   7          1HD       ARG   7  -6.839  -6.879  -0.153
   58    HE   ARG   7           HE       ARG   7  -5.857  -6.045   2.078
   59   1HH1  ARG   7          2HH1      ARG   7  -5.616  -9.326   0.871
   60   2HH1  ARG   7          1HH1      ARG   7  -4.070  -9.623   1.616
   61   1HH2  ARG   7          2HH2      ARG   7  -3.851  -6.427   3.077
   62   2HH2  ARG   7          1HH2      ARG   7  -3.055  -7.964   2.879
   63    H    CYS   8           H        CYS   8  -8.246  -3.430   2.843
   64    HA   CYS   8           HA       CYS   8  -6.140  -1.888   1.861
   65   1HB   CYS   8          2HB       CYS   8  -6.970  -1.286   3.964
   66   2HB   CYS   8          1HB       CYS   8  -6.878  -2.932   4.577
   67    H    ALA   9           H        ALA   9  -4.208  -2.394   1.165
   68    HA   ALA   9           HA       ALA   9  -3.213  -5.099   1.358
   69   1HB   ALA   9          1HB       ALA   9  -2.941  -3.935  -0.733
   70   2HB   ALA   9          2HB       ALA   9  -2.064  -2.630   0.066
   71   3HB   ALA   9          3HB       ALA   9  -1.349  -4.238  -0.036
   72    H    GLY  10           H        GLY  10  -3.235  -2.682   3.510
   73   1HA   GLY  10          1HA       GLY  10  -0.463  -2.883   4.390
   74   2HA   GLY  10          2HA       GLY  10  -1.722  -1.888   5.109
   75    H    CYS  11           H        CYS  11  -3.695  -3.696   5.666
   76    HA   CYS  11           HA       CYS  11  -2.323  -5.498   7.543
   77   1HB   CYS  11          2HB       CYS  11  -4.417  -5.436   8.899
   78   2HB   CYS  11          1HB       CYS  11  -3.602  -3.884   8.781
   79    H    GLY  12           H        GLY  12  -5.705  -5.558   6.640
   80   1HA   GLY  12          1HA       GLY  12  -5.831  -7.351   4.605
   81   2HA   GLY  12          2HA       GLY  12  -5.523  -8.368   6.006
   82    H    GLY  13           H        GLY  13  -7.736  -5.910   4.739
   83   1HA   GLY  13          1HA       GLY  13 -10.033  -7.329   5.405
   84   2HA   GLY  13          2HA       GLY  13  -9.711  -6.122   6.651
   85    H    LYS  14           H        LYS  14 -11.844  -5.519   5.652
   86    HA   LYS  14           HA       LYS  14 -11.688  -3.992   3.198
   87   1HB   LYS  14          2HB       LYS  14 -13.875  -4.733   5.091
   88   2HB   LYS  14          1HB       LYS  14 -14.100  -3.345   4.032
   89   1HG   LYS  14          2HG       LYS  14 -13.519  -4.867   2.108
   90   2HG   LYS  14          1HG       LYS  14 -13.630  -6.209   3.249
   91   1HD   LYS  14          2HD       LYS  14 -15.921  -4.439   3.414
   92   2HD   LYS  14          1HD       LYS  14 -15.711  -5.105   1.792
   93   1HE   LYS  14          2HE       LYS  14 -16.064  -7.258   2.481
   94   2HE   LYS  14          1HE       LYS  14 -15.460  -6.949   4.108
   95   1HZ   LYS  14          1HZ       LYS  14 -17.668  -7.112   4.535
   96   2HZ   LYS  14          2HZ       LYS  14 -18.137  -6.543   3.008
   97   3HZ   LYS  14          3HZ       LYS  14 -17.605  -5.450   4.190
   98    H    ILE  15           H        ILE  15 -11.347  -1.878   3.060
   99    HA   ILE  15           HA       ILE  15 -10.518  -0.471   5.414
  100    HB   ILE  15           HB       ILE  15 -10.884   0.836   2.740
  101   1HG1  ILE  15          2HG1      ILE  15  -8.421  -0.746   3.481
  102   1HG2  ILE  15          1HG2      ILE  15  -9.363   1.330   5.217
  103   2HG2  ILE  15          2HG2      ILE  15  -8.533   1.703   3.706
  104   3HG2  ILE  15          3HG2      ILE  15 -10.080   2.467   4.076
  105   1HD1  ILE  15          1HD1      ILE  15  -8.998   1.043   1.395
  106   2HD1  ILE  15          2HD1      ILE  15  -7.567   0.031   1.609
  107   3HD1  ILE  15          3HD1      ILE  15  -8.949  -0.575   0.695
  108    H    ALA  16           H        ALA  16 -12.321  -0.232   6.690
  109    HA   ALA  16           HA       ALA  16 -14.644   1.175   5.640
  110   1HB   ALA  16          1HB       ALA  16 -15.610  -0.257   7.055
  111   2HB   ALA  16          2HB       ALA  16 -14.094  -0.582   7.893
  112   3HB   ALA  16          3HB       ALA  16 -15.066   0.821   8.339
  113    H    ASP  17           H        ASP  17 -11.989   2.442   5.985
  114    HA   ASP  17           HA       ASP  17 -12.580   4.476   8.013
  115   1HB   ASP  17          2HB       ASP  17 -10.113   3.347   6.886
  116   2HB   ASP  17          1HB       ASP  17 -10.100   5.101   7.022
  117    H    ARG  18           H        ARG  18 -12.594   6.678   7.483
  118    HA   ARG  18           HA       ARG  18 -13.340   7.217   4.717
  119   1HB   ARG  18          2HB       ARG  18 -13.697   9.592   5.680
  120   2HB   ARG  18          1HB       ARG  18 -14.810   8.317   6.150
  121   1HG   ARG  18          2HG       ARG  18 -12.628   8.394   7.991
  122   2HG   ARG  18          1HG       ARG  18 -13.314  10.010   7.814
  123   1HD   ARG  18          2HD       ARG  18 -15.586   8.882   8.108
  124   2HD   ARG  18          1HD       ARG  18 -14.681   7.476   8.666
  125    HE   ARG  18           HE       ARG  18 -14.150  10.023   9.983
  126   1HH1  ARG  18          2HH1      ARG  18 -15.712   6.888  10.048
  127   2HH1  ARG  18          1HH1      ARG  18 -15.977   6.909  11.769
  128   1HH2  ARG  18          2HH2      ARG  18 -14.482  10.050  12.242
  129   2HH2  ARG  18          1HH2      ARG  18 -15.326   8.733  13.006
  130    H    PHE  19           H        PHE  19 -10.563   7.084   6.450
  131    HA   PHE  19           HA       PHE  19  -9.224   9.000   4.661
  132   1HB   PHE  19          2HB       PHE  19  -8.046   8.070   7.277
  133   2HB   PHE  19          1HB       PHE  19  -7.576   9.454   6.300
  134    HD1  PHE  19           1HD      PHE  19  -9.709  11.120   5.911
  135    HD2  PHE  19           2HD      PHE  19  -9.054   8.582   9.262
  136    HE1  PHE  19           1HE      PHE  19 -11.138  12.573   7.284
  137    HE2  PHE  19           2HE      PHE  19 -10.478  10.037  10.646
  138    HZ   PHE  19           HZ       PHE  19 -11.523  12.035   9.653
  139    H    LEU  20           H        LEU  20  -9.021   7.403   3.055
  140    HA   LEU  20           HA       LEU  20  -7.331   5.111   3.790
  141   1HB   LEU  20          2HB       LEU  20  -8.673   3.754   2.628
  142   2HB   LEU  20          1HB       LEU  20  -9.834   5.063   2.696
  143    HG   LEU  20           HG       LEU  20  -7.992   5.266   0.432
  144   1HD1  LEU  20          1HD1      LEU  20  -9.520   3.436  -0.718
  145   2HD1  LEU  20          2HD1      LEU  20  -8.000   3.018   0.070
  146   3HD1  LEU  20          3HD1      LEU  20  -9.529   2.770   0.915
  147   1HD2  LEU  20          1HD2      LEU  20 -10.995   5.265   0.710
  148   2HD2  LEU  20          2HD2      LEU  20  -9.941   6.680   0.654
  149   3HD2  LEU  20          3HD2      LEU  20 -10.102   5.644  -0.765
  150    H    LEU  21           H        LEU  21  -6.079   4.232   1.863
  151    HA   LEU  21           HA       LEU  21  -4.947   6.456   0.293
  152   1HB   LEU  21          2HB       LEU  21  -3.713   5.368   2.446
  153   2HB   LEU  21          1HB       LEU  21  -3.109   4.329   1.168
  154    HG   LEU  21           HG       LEU  21  -2.954   7.149   0.469
  155   1HD1  LEU  21          1HD1      LEU  21  -2.569   7.640   2.721
  156   2HD1  LEU  21          2HD1      LEU  21  -1.654   6.156   2.983
  157   3HD1  LEU  21          3HD1      LEU  21  -0.957   7.465   2.027
  158   1HD2  LEU  21          1HD2      LEU  21  -0.791   5.071   0.728
  159   2HD2  LEU  21          2HD2      LEU  21  -1.868   5.191  -0.666
  160   3HD2  LEU  21          3HD2      LEU  21  -0.783   6.526  -0.272
  161    H    TYR  22           H        TYR  22  -3.840   5.805  -1.630
  162    HA   TYR  22           HA       TYR  22  -4.469   3.092  -2.577
  163   1HB   TYR  22          2HB       TYR  22  -4.315   5.396  -4.492
  164   2HB   TYR  22          1HB       TYR  22  -5.111   3.845  -4.691
  165    HD1  TYR  22           1HD      TYR  22  -5.622   7.269  -4.118
  166    HD2  TYR  22           2HD      TYR  22  -7.151   3.448  -3.057
  167    HE1  TYR  22           1HE      TYR  22  -7.794   8.282  -3.600
  168    HE2  TYR  22           2HE      TYR  22  -9.323   4.448  -2.533
  169    HH   TYR  22           HH       TYR  22 -10.569   6.300  -2.641
  170    H    ALA  23           H        ALA  23  -2.679   2.008  -3.163
  171    HA   ALA  23           HA       ALA  23  -0.442   3.431  -4.329
  172   1HB   ALA  23          1HB       ALA  23  -0.008   3.626  -1.920
  173   2HB   ALA  23          2HB       ALA  23  -0.071   1.869  -1.775
  174   3HB   ALA  23          3HB       ALA  23   1.204   2.631  -2.726
  175    H    MET  24           H        MET  24   0.435   2.265  -5.882
  176    HA   MET  24           HA       MET  24   0.967   0.547  -7.267
  177   1HB   MET  24          2HB       MET  24   1.142  -0.653  -4.582
  178   2HB   MET  24          1HB       MET  24   0.913  -1.809  -5.886
  179   1HG   MET  24          2HG       MET  24   3.152   0.166  -5.549
  180   2HG   MET  24          1HG       MET  24   3.243  -1.593  -5.516
  181   1HE   MET  24          1HE       MET  24   3.781  -2.922  -7.040
  182   2HE   MET  24          2HE       MET  24   2.671  -3.004  -8.409
  183   3HE   MET  24          3HE       MET  24   4.356  -2.545  -8.664
  184    H    ASP  25           H        ASP  25  -1.709   1.374  -7.098
  185    HA   ASP  25           HA       ASP  25  -3.797   0.833  -7.777
  186   1HB   ASP  25          2HB       ASP  25  -2.082  -1.100  -9.141
  187   2HB   ASP  25          1HB       ASP  25  -3.735  -1.669  -8.928
  188    H    SER  26           H        SER  26  -2.606  -0.233  -5.197
  189    HA   SER  26           HA       SER  26  -4.875  -1.997  -4.574
  190   1HB   SER  26          2HB       SER  26  -2.498  -2.097  -2.795
  191   2HB   SER  26          1HB       SER  26  -3.582  -3.395  -3.298
  192    HG   SER  26           HG       SER  26  -2.036  -2.317  -5.317
  193    H    TYR  27           H        TYR  27  -6.001  -1.447  -2.704
  194    HA   TYR  27           HA       TYR  27  -5.475   1.286  -1.833
  195   1HB   TYR  27          2HB       TYR  27  -7.899  -0.492  -1.581
  196   2HB   TYR  27          1HB       TYR  27  -7.780   1.080  -0.801
  197    HD1  TYR  27           1HD      TYR  27  -6.093   1.070  -3.963
  198    HD2  TYR  27           2HD      TYR  27  -9.944   1.405  -2.164
  199    HE1  TYR  27           1HE      TYR  27  -6.962   2.112  -6.015
  200    HE2  TYR  27           2HE      TYR  27 -10.810   2.464  -4.200
  201    HH   TYR  27           HH       TYR  27 -10.227   3.455  -6.155
  202    H    TRP  28           H        TRP  28  -5.440   1.874   0.362
  203    HA   TRP  28           HA       TRP  28  -4.765  -0.289   2.245
  204   1HB   TRP  28          2HB       TRP  28  -3.222   2.304   1.962
  205   2HB   TRP  28          1HB       TRP  28  -2.859   0.989   3.063
  206    HD1  TRP  28           HD       TRP  28  -3.234   1.155  -0.820
  207    HE1  TRP  28           1HE      TRP  28  -1.187  -0.015  -1.847
  208    HE3  TRP  28           3HE      TRP  28  -0.793  -0.118   3.484
  209    HZ2  TRP  28           2HZ      TRP  28   1.165  -1.286  -0.948
  210    HZ3  TRP  28           3HZ      TRP  28   1.358  -1.299   3.315
  211    HH2  TRP  28           HH       TRP  28   2.317  -1.872   1.143
  212    H    HIS  29           H        HIS  29  -4.404   0.777   4.486
  213    HA   HIS  29           HA       HIS  29  -6.651   2.531   5.133
  214   1HB   HIS  29          2HB       HIS  29  -4.742   0.843   6.689
  215   2HB   HIS  29          1HB       HIS  29  -5.363   2.288   7.476
  216    HD2  HIS  29           2HD      HIS  29  -8.377   2.306   7.303
  217    HE1  HIS  29           1HE      HIS  29  -8.337  -1.906   7.781
  218    HE2  HIS  29           2HE      HIS  29  -9.718   0.215   8.081
  219    H    SER  30           H        SER  30  -5.136   3.768   7.344
  220    HA   SER  30           HA       SER  30  -3.550   5.671   5.760
  221   1HB   SER  30          2HB       SER  30  -4.055   6.505   8.489
  222   2HB   SER  30          1HB       SER  30  -4.492   7.307   6.981
  223    HG   SER  30           HG       SER  30  -6.389   6.144   6.907
  224    H    ARG  31           H        ARG  31  -3.578   4.089   8.951
  225    HA   ARG  31           HA       ARG  31  -0.789   4.607   9.394
  226   1HB   ARG  31          2HB       ARG  31  -2.297   4.601  11.268
  227   2HB   ARG  31          1HB       ARG  31  -2.851   2.979  10.888
  228   1HG   ARG  31          2HG       ARG  31  -0.068   2.800  11.256
  229   2HG   ARG  31          1HG       ARG  31  -0.692   3.813  12.562
  230   1HD   ARG  31          2HD       ARG  31  -0.701   1.446  13.186
  231   2HD   ARG  31          1HD       ARG  31  -2.338   2.102  13.121
  232    HE   ARG  31           HE       ARG  31  -2.724   0.886  11.123
  233   1HH1  ARG  31          2HH1      ARG  31   0.353   0.197  12.638
  234   2HH1  ARG  31          1HH1      ARG  31   0.643  -1.235  11.690
  235   1HH2  ARG  31          2HH2      ARG  31  -2.349  -0.999   9.872
  236   2HH2  ARG  31          1HH2      ARG  31  -0.898  -1.921  10.136
  237    H    CYS  32           H        CYS  32  -2.483   2.195   7.715
  238    HA   CYS  32           HA       CYS  32  -0.686   0.029   8.247
  239   1HB   CYS  32          2HB       CYS  32  -2.874   0.436   6.219
  240   2HB   CYS  32          1HB       CYS  32  -1.906  -1.031   6.291
  241    H    LEU  33           H        LEU  33  -0.584   2.747   6.200
  242    HA   LEU  33           HA       LEU  33   1.301   1.514   4.352
  243   1HB   LEU  33          2HB       LEU  33  -0.334   3.266   3.592
  244   2HB   LEU  33          1HB       LEU  33   0.559   4.430   4.554
  245    HG   LEU  33           HG       LEU  33   2.613   3.742   3.179
  246   1HD1  LEU  33          1HD1      LEU  33   0.520   2.139   1.919
  247   2HD1  LEU  33          2HD1      LEU  33   1.466   3.103   0.784
  248   3HD1  LEU  33          3HD1      LEU  33   2.275   1.967   1.864
  249   1HD2  LEU  33          1HD2      LEU  33   2.059   5.820   2.567
  250   2HD2  LEU  33          2HD2      LEU  33   1.428   5.031   1.121
  251   3HD2  LEU  33          3HD2      LEU  33   0.340   5.439   2.450
  252    H    LYS  34           H        LYS  34   2.411   0.970   6.475
  253    HA   LYS  34           HA       LYS  34   4.314   3.105   7.167
  254   1HB   LYS  34          2HB       LYS  34   4.322   2.411   9.356
  255   2HB   LYS  34          1HB       LYS  34   2.678   1.969   8.927
  256   1HG   LYS  34          2HG       LYS  34   4.871  -0.035   8.629
  257   2HG   LYS  34          1HG       LYS  34   4.193   0.299  10.223
  258   1HD   LYS  34          2HD       LYS  34   2.329  -0.856   9.776
  259   2HD   LYS  34          1HD       LYS  34   2.141  -0.091   8.195
  260   1HE   LYS  34          2HE       LYS  34   3.291  -1.731   7.109
  261   2HE   LYS  34          1HE       LYS  34   4.312  -2.089   8.500
  262   1HZ   LYS  34          1HZ       LYS  34   2.420  -3.713   7.706
  263   2HZ   LYS  34          2HZ       LYS  34   1.467  -2.733   8.706
  264   3HZ   LYS  34          3HZ       LYS  34   2.812  -3.541   9.349
  265    H    CYS  35           H        CYS  35   6.513   2.453   7.494
  266    HA   CYS  35           HA       CYS  35   7.510   0.808   5.481
  267   1HB   CYS  35          2HB       CYS  35   8.816   2.586   6.593
  268   2HB   CYS  35          1HB       CYS  35   8.870   1.619   8.063
  269    H    SER  36           H        SER  36   8.169  -1.295   5.410
  270    HA   SER  36           HA       SER  36   7.076  -3.117   7.336
  271   1HB   SER  36          2HB       SER  36   9.060  -3.756   5.148
  272   2HB   SER  36          1HB       SER  36   7.916  -4.855   5.919
  273    HG   SER  36           HG       SER  36   7.348  -2.682   4.175
  274    H    SER  37           H        SER  37   9.777  -1.205   7.336
  275    HA   SER  37           HA       SER  37  11.232  -3.068   9.091
  276   1HB   SER  37          2HB       SER  37  12.866  -0.901   8.100
  277   2HB   SER  37          1HB       SER  37  13.098  -2.641   7.931
  278    HG   SER  37           HG       SER  37  11.530  -0.933   6.280
  279    H    CYS  38           H        CYS  38  10.328   0.333   8.582
  280    HA   CYS  38           HA       CYS  38  11.324   1.026  11.229
  281   1HB   CYS  38          2HB       CYS  38  10.008   2.709   9.092
  282   2HB   CYS  38          1HB       CYS  38  10.655   3.332  10.605
  283    H    GLN  39           H        GLN  39   8.306   0.502   9.591
  284    HA   GLN  39           HA       GLN  39   6.144   0.443  10.251
  285   1HB   GLN  39          2HB       GLN  39   7.499   0.163  12.901
  286   2HB   GLN  39          1HB       GLN  39   5.767   0.463  12.847
  287   1HG   GLN  39          2HG       GLN  39   5.552  -1.739  12.703
  288   2HG   GLN  39          1HG       GLN  39   6.077  -1.557  11.029
  289   1HE2  GLN  39          1HE2      GLN  39   7.744  -2.733  10.430
  290   2HE2  GLN  39          2HE2      GLN  39   8.935  -3.428  11.480
  291    H    ALA  40           H        ALA  40   7.718   2.904   9.901
  292    HA   ALA  40           HA       ALA  40   6.215   4.831  11.467
  293   1HB   ALA  40          1HB       ALA  40   8.838   4.813  10.406
  294   2HB   ALA  40          2HB       ALA  40   7.933   6.055   9.542
  295   3HB   ALA  40          3HB       ALA  40   8.037   6.103  11.301
  296    H    GLN  41           H        GLN  41   4.667   5.985  10.603
  297    HA   GLN  41           HA       GLN  41   3.315   5.096   8.320
  298   1HB   GLN  41          2HB       GLN  41   2.697   6.705  10.441
  299   2HB   GLN  41          1HB       GLN  41   2.787   7.881   9.137
  300   1HG   GLN  41          2HG       GLN  41   1.267   5.496   8.434
  301   2HG   GLN  41          1HG       GLN  41   0.596   6.383   9.801
  302   1HE2  GLN  41          1HE2      GLN  41  -0.995   7.633   9.122
  303   2HE2  GLN  41          2HE2      GLN  41  -0.964   8.616   7.695
  304    H    LEU  42           H        LEU  42   3.926   5.299   6.294
  305    HA   LEU  42           HA       LEU  42   6.068   6.897   5.483
  306   1HB   LEU  42          2HB       LEU  42   4.258   4.971   4.283
  307   2HB   LEU  42          1HB       LEU  42   4.705   6.234   3.153
  308    HG   LEU  42           HG       LEU  42   6.991   5.666   3.245
  309   1HD1  LEU  42          1HD1      LEU  42   7.393   5.448   5.565
  310   2HD1  LEU  42          2HD1      LEU  42   6.292   4.078   5.702
  311   3HD1  LEU  42          3HD1      LEU  42   7.822   3.898   4.841
  312   1HD2  LEU  42          1HD2      LEU  42   6.991   3.190   2.827
  313   2HD2  LEU  42          2HD2      LEU  42   5.289   3.182   3.294
  314   3HD2  LEU  42          3HD2      LEU  42   5.814   4.109   1.889
  315    H    GLY  43           H        GLY  43   2.758   7.695   5.766
  316   1HA   GLY  43          1HA       GLY  43   2.934   9.931   3.893
  317   2HA   GLY  43          2HA       GLY  43   1.505   9.428   4.782
  318    H    ASP  44           H        ASP  44   3.852   9.374   7.021
  319    HA   ASP  44           HA       ASP  44   3.171  12.063   7.959
  320   1HB   ASP  44          2HB       ASP  44   2.819  10.340   9.609
  321   2HB   ASP  44          1HB       ASP  44   4.443   9.702   9.366
  322    H    ILE  45           H        ILE  45   5.855  10.082   6.969
  323    HA   ILE  45           HA       ILE  45   7.796  12.190   7.499
  324    HB   ILE  45           HB       ILE  45   9.336  10.437   6.303
  325   1HG1  ILE  45          2HG1      ILE  45   7.196   8.581   7.343
  326   1HG2  ILE  45          1HG2      ILE  45   8.798  11.078   8.900
  327   2HG2  ILE  45          2HG2      ILE  45   8.559   9.330   8.892
  328   3HG2  ILE  45          3HG2      ILE  45  10.097  10.013   8.362
  329   1HD1  ILE  45          1HD1      ILE  45   9.187   7.386   7.211
  330   2HD1  ILE  45          2HD1      ILE  45   8.365   7.027   5.693
  331   3HD1  ILE  45          3HD1      ILE  45   9.684   8.196   5.727
  332    H    GLY  46           H        GLY  46   6.079  13.232   5.857
  333   1HA   GLY  46          1HA       GLY  46   6.195  14.480   3.864
  334   2HA   GLY  46          2HA       GLY  46   7.485  13.420   3.303
  335    H    THR  47           H        THR  47   6.799  12.501   1.472
  336    HA   THR  47           HA       THR  47   4.565  10.701   1.683
  337    HB   THR  47           HB       THR  47   4.128  11.859  -0.854
  338    HG1  THR  47           1HG      THR  47   5.016  13.810  -0.232
  339   1HG2  THR  47          1HG2      THR  47   2.586  10.758   0.943
  340   2HG2  THR  47          2HG2      THR  47   1.926  11.962  -0.164
  341   3HG2  THR  47          3HG2      THR  47   2.354  12.419   1.484
  342    H    SER  48           H        SER  48   5.809   8.960   1.262
  343    HA   SER  48           HA       SER  48   6.673   8.564  -1.441
  344   1HB   SER  48          2HB       SER  48   9.003   7.778  -0.123
  345   2HB   SER  48          1HB       SER  48   8.823   9.190  -1.162
  346    HG   SER  48           HG       SER  48   8.494  10.466   0.613
  347    H    SER  49           H        SER  49   7.177   6.335  -1.868
  348    HA   SER  49           HA       SER  49   7.030   4.397   0.235
  349   1HB   SER  49          2HB       SER  49   4.948   3.373  -1.158
  350   2HB   SER  49          1HB       SER  49   4.749   4.399   0.261
  351    HG   SER  49           HG       SER  49   4.351   6.129  -1.033
  352    H    TYR  50           H        TYR  50   8.053   2.578  -0.387
  353    HA   TYR  50           HA       TYR  50   8.672   2.336  -3.257
  354   1HB   TYR  50          2HB       TYR  50  10.365   2.092  -0.817
  355   2HB   TYR  50          1HB       TYR  50  10.751   1.071  -2.200
  356    HD1  TYR  50           1HD      TYR  50  11.343   4.184  -0.702
  357    HD2  TYR  50           2HD      TYR  50  10.823   2.353  -4.506
  358    HE1  TYR  50           1HE      TYR  50  12.526   6.059  -1.763
  359    HE2  TYR  50           2HE      TYR  50  12.003   4.220  -5.571
  360    HH   TYR  50           HH       TYR  50  12.859   6.262  -5.296
  361    H    THR  51           H        THR  51   7.999   0.541  -4.226
  362    HA   THR  51           HA       THR  51   7.010  -1.646  -2.545
  363    HB   THR  51           HB       THR  51   6.776  -1.805  -5.497
  364    HG1  THR  51           1HG      THR  51   5.961   0.362  -4.030
  365   1HG2  THR  51          1HG2      THR  51   5.644  -3.050  -3.251
  366   2HG2  THR  51          2HG2      THR  51   5.192  -3.278  -4.940
  367   3HG2  THR  51          3HG2      THR  51   4.353  -2.079  -3.959
  368    H    LYS  52           H        LYS  52   8.594  -2.987  -1.939
  369    HA   LYS  52           HA       LYS  52  10.171  -4.253  -4.055
  370   1HB   LYS  52          2HB       LYS  52  11.227  -2.688  -1.757
  371   2HB   LYS  52          1HB       LYS  52  12.075  -4.169  -2.177
  372   1HG   LYS  52          2HG       LYS  52  11.593  -1.779  -3.940
  373   2HG   LYS  52          1HG       LYS  52  13.131  -2.334  -3.277
  374   1HD   LYS  52          2HD       LYS  52  13.276  -4.107  -4.743
  375   2HD   LYS  52          1HD       LYS  52  11.530  -4.180  -4.992
  376   1HE   LYS  52          2HE       LYS  52  12.960  -1.731  -5.874
  377   2HE   LYS  52          1HE       LYS  52  13.181  -3.200  -6.824
  378   1HZ   LYS  52          1HZ       LYS  52  10.823  -1.528  -6.513
  379   2HZ   LYS  52          2HZ       LYS  52  10.542  -3.201  -6.551
  380   3HZ   LYS  52          3HZ       LYS  52  11.341  -2.449  -7.841
  381    H    SER  53           H        SER  53  10.442  -6.390  -3.779
  382    HA   SER  53           HA       SER  53  10.218  -8.487  -2.941
  383   1HB   SER  53          2HB       SER  53  10.388  -7.111  -0.248
  384   2HB   SER  53          1HB       SER  53  10.548  -8.844  -0.522
  385    HG   SER  53           HG       SER  53  12.315  -8.110  -2.055
  386    H    GLY  54           H        GLY  54   7.879  -6.613  -3.319
  387   1HA   GLY  54          1HA       GLY  54   5.591  -6.996  -3.290
  388   2HA   GLY  54          2HA       GLY  54   5.870  -8.417  -2.292
  389    H    MET  55           H        MET  55   7.497  -5.843  -0.981
  390    HA   MET  55           HA       MET  55   5.233  -5.139   0.763
  391   1HB   MET  55          2HB       MET  55   6.611  -5.150   2.673
  392   2HB   MET  55          1HB       MET  55   7.028  -6.628   1.818
  393   1HG   MET  55          2HG       MET  55   8.929  -5.206   0.791
  394   2HG   MET  55          1HG       MET  55   8.608  -4.112   2.135
  395   1HE   MET  55          1HE       MET  55  11.751  -5.278   2.689
  396   2HE   MET  55          2HE       MET  55  11.658  -6.930   2.078
  397   3HE   MET  55          3HE       MET  55  11.038  -5.596   1.106
  398    H    ILE  56           H        ILE  56   6.065  -3.070   2.119
  399    HA   ILE  56           HA       ILE  56   7.081  -1.189   0.103
  400    HB   ILE  56           HB       ILE  56   4.565  -1.110   1.040
  401   1HG1  ILE  56          2HG1      ILE  56   5.177   1.593   0.727
  402   1HG2  ILE  56          1HG2      ILE  56   5.173   1.164   2.608
  403   2HG2  ILE  56          2HG2      ILE  56   4.328  -0.309   3.088
  404   3HG2  ILE  56          3HG2      ILE  56   6.081  -0.200   3.262
  405   1HD1  ILE  56          1HD1      ILE  56   3.424   0.513  -0.504
  406   2HD1  ILE  56          2HD1      ILE  56   4.555   1.266  -1.628
  407   3HD1  ILE  56          3HD1      ILE  56   4.598  -0.479  -1.372
  408    H    LEU  57           H        LEU  57   8.669   0.162   0.643
  409    HA   LEU  57           HA       LEU  57   9.669   0.089   3.420
  410   1HB   LEU  57          2HB       LEU  57  11.338   0.364   0.915
  411   2HB   LEU  57          1HB       LEU  57  11.933   0.273   2.560
  412    HG   LEU  57           HG       LEU  57  10.561  -1.951   1.064
  413   1HD1  LEU  57          1HD1      LEU  57  12.750  -1.579   0.167
  414   2HD1  LEU  57          2HD1      LEU  57  13.446  -1.501   1.785
  415   3HD1  LEU  57          3HD1      LEU  57  12.792  -3.021   1.180
  416   1HD2  LEU  57          1HD2      LEU  57  11.658  -3.195   3.120
  417   2HD2  LEU  57          2HD2      LEU  57  11.429  -1.622   3.884
  418   3HD2  LEU  57          3HD2      LEU  57  10.044  -2.491   3.221
  419    H    CYS  58           H        CYS  58  11.137   1.992   3.853
  420    HA   CYS  58           HA       CYS  58   9.874   4.427   2.910
  421   1HB   CYS  58          2HB       CYS  58  11.309   5.542   4.574
  422   2HB   CYS  58          1HB       CYS  58  10.375   4.239   5.300
  423    H    ARG  59           H        ARG  59  11.502   6.248   2.377
  424    HA   ARG  59           HA       ARG  59  13.026   5.418   0.109
  425   1HB   ARG  59          2HB       ARG  59  12.113   7.560  -0.118
  426   2HB   ARG  59          1HB       ARG  59  12.572   8.034   1.510
  427   1HG   ARG  59          2HG       ARG  59  14.005   9.251   0.155
  428   2HG   ARG  59          1HG       ARG  59  14.986   7.877   0.666
  429   1HD   ARG  59          2HD       ARG  59  15.415   8.017  -1.613
  430   2HD   ARG  59          1HD       ARG  59  14.172   6.769  -1.512
  431    HE   ARG  59           HE       ARG  59  12.563   8.493  -2.179
  432   1HH1  ARG  59          2HH1      ARG  59  15.950   9.077  -2.776
  433   2HH1  ARG  59          1HH1      ARG  59  15.668  10.154  -4.104
  434   1HH2  ARG  59          2HH2      ARG  59  12.159   9.922  -3.878
  435   2HH2  ARG  59          1HH2      ARG  59  13.488  10.669  -4.721
  436    H    ASN  60           H        ASN  60  13.710   6.223   3.428
  437    HA   ASN  60           HA       ASN  60  16.531   6.404   3.228
  438   1HB   ASN  60          2HB       ASN  60  14.713   6.926   5.180
  439   2HB   ASN  60          1HB       ASN  60  15.382   5.404   5.760
  440   1HD2  ASN  60          1HD2      ASN  60  16.792   8.227   4.113
  441   2HD2  ASN  60          2HD2      ASN  60  18.014   8.510   5.309
  442    H    ASP  61           H        ASP  61  14.313   3.744   3.948
  443    HA   ASP  61           HA       ASP  61  16.420   1.881   4.469
  444   1HB   ASP  61          2HB       ASP  61  13.469   1.812   4.400
  445   2HB   ASP  61          1HB       ASP  61  14.280   0.286   4.050
  446    H    TYR  62           H        TYR  62  14.471   2.697   1.677
  447    HA   TYR  62           HA       TYR  62  14.910   0.532   0.040
  448   1HB   TYR  62          2HB       TYR  62  13.487   2.520  -0.479
  449   2HB   TYR  62          1HB       TYR  62  14.954   3.417  -0.861
  450    HD1  TYR  62           1HD      TYR  62  15.788   3.380  -3.040
  451    HD2  TYR  62           2HD      TYR  62  13.095   0.331  -1.798
  452    HE1  TYR  62           1HE      TYR  62  15.707   2.519  -5.341
  453    HE2  TYR  62           2HE      TYR  62  13.004  -0.531  -4.094
  454    HH   TYR  62           HH       TYR  62  13.649   0.961  -6.645
  455    H    ILE  63           H        ILE  63  17.064   3.296   0.590
  456    HA   ILE  63           HA       ILE  63  19.005   2.470  -1.322
  457    HB   ILE  63           HB       ILE  63  19.781   4.188   0.991
  458   1HG1  ILE  63          2HG1      ILE  63  17.459   4.859   0.284
  459   1HG2  ILE  63          1HG2      ILE  63  21.509   3.892  -0.553
  460   2HG2  ILE  63          2HG2      ILE  63  20.427   4.053  -1.935
  461   3HG2  ILE  63          3HG2      ILE  63  20.831   5.466  -0.961
  462   1HD1  ILE  63          1HD1      ILE  63  16.887   5.127  -1.820
  463   2HD1  ILE  63          2HD1      ILE  63  18.145   6.346  -2.022
  464   3HD1  ILE  63          3HD1      ILE  63  18.508   4.648  -2.325
  465    H    ARG  64           H        ARG  64  18.256   1.341   1.766
  466    HA   ARG  64           HA       ARG  64  20.930   0.301   2.309
  467   1HB   ARG  64          2HB       ARG  64  18.333   0.365   3.788
  468   2HB   ARG  64          1HB       ARG  64  19.482  -0.908   4.176
  469   1HG   ARG  64          2HG       ARG  64  21.071   0.597   4.963
  470   2HG   ARG  64          1HG       ARG  64  20.305   1.971   4.162
  471   1HD   ARG  64          2HD       ARG  64  18.283   1.275   5.728
  472   2HD   ARG  64          1HD       ARG  64  19.590   0.601   6.700
  473    HE   ARG  64           HE       ARG  64  20.581   2.916   6.560
  474   1HH1  ARG  64          2HH1      ARG  64  17.122   2.317   6.494
  475   2HH1  ARG  64          1HH1      ARG  64  16.717   3.913   7.056
  476   1HH2  ARG  64          2HH2      ARG  64  20.052   5.006   7.285
  477   2HH2  ARG  64          1HH2      ARG  64  18.380   5.458   7.462
  478    H    LEU  65           H        LEU  65  17.654  -0.952   1.794
  479    HA   LEU  65           HA       LEU  65  18.478  -3.650   1.574
  480   1HB   LEU  65          2HB       LEU  65  16.036  -2.195   1.666
  481   2HB   LEU  65          1HB       LEU  65  15.972  -3.269   0.284
  482    HG   LEU  65           HG       LEU  65  14.994  -4.440   2.097
  483   1HD1  LEU  65          1HD1      LEU  65  17.278  -5.375   0.798
  484   2HD1  LEU  65          2HD1      LEU  65  17.491  -5.822   2.489
  485   3HD1  LEU  65          3HD1      LEU  65  16.047  -6.337   1.619
  486   1HD2  LEU  65          1HD2      LEU  65  15.839  -4.581   4.266
  487   2HD2  LEU  65          2HD2      LEU  65  17.450  -4.062   3.773
  488   3HD2  LEU  65          3HD2      LEU  65  16.123  -2.902   3.807
  489    H    PHE  66           H        PHE  66  17.455  -1.286  -0.890
  490    HA   PHE  66           HA       PHE  66  18.636  -3.067  -2.920
  491   1HB   PHE  66          2HB       PHE  66  16.087  -1.445  -3.101
  492   2HB   PHE  66          1HB       PHE  66  16.841  -2.253  -4.472
  493    HD1  PHE  66           1HD      PHE  66  16.688  -4.624  -4.751
  494    HD2  PHE  66           2HD      PHE  66  15.068  -2.739  -1.296
  495    HE1  PHE  66           1HE      PHE  66  15.485  -6.694  -4.189
  496    HE2  PHE  66           2HE      PHE  66  13.867  -4.810  -0.726
  497    HZ   PHE  66           HZ       PHE  66  14.077  -6.790  -2.171
  498    H    GLY  67           H        GLY  67  19.881  -0.851  -1.561
  499   1HA   GLY  67          1HA       GLY  67  19.908   1.395  -3.369
  500   2HA   GLY  67          2HA       GLY  67  20.954   1.161  -1.976
  501    H    ASN  68           H        ASN  68  21.548  -1.604  -3.133
  502    HA   ASN  68           HA       ASN  68  23.964  -0.880  -4.438
  503   1HB   ASN  68          2HB       ASN  68  23.625  -2.948  -3.039
  504   2HB   ASN  68          1HB       ASN  68  22.678  -3.618  -4.366
  505   1HD2  ASN  68          1HD2      ASN  68  23.765  -4.973  -5.566
  506   2HD2  ASN  68          2HD2      ASN  68  25.460  -4.882  -5.942
  507    H    SER  69           H        SER  69  24.045  -0.115  -6.411
  508    HA   SER  69           HA       SER  69  23.739   0.204  -8.624
  509   1HB   SER  69          2HB       SER  69  22.538  -2.574  -8.593
  510   2HB   SER  69          1HB       SER  69  22.988  -1.671 -10.040
  511    HG   SER  69           HG       SER  69  24.992  -1.872  -8.146
  512    H    GLY  70           H        GLY  70  20.890  -1.786  -8.792
  513   1HA   GLY  70          1HA       GLY  70  18.638  -1.247  -8.820
  514   2HA   GLY  70          2HA       GLY  70  19.041   0.333  -8.157
  515    H    ALA  71           H        ALA  71  20.393   1.669  -9.802
  516    HA   ALA  71           HA       ALA  71  19.614   1.270 -12.563
  517   1HB   ALA  71          1HB       ALA  71  18.080   2.972 -10.960
  518   2HB   ALA  71          2HB       ALA  71  19.111   4.027 -11.924
  519   3HB   ALA  71          3HB       ALA  71  18.062   2.855 -12.720
  520    H    GLY  72           H        GLY  72  22.005   0.853 -11.960
  521   1HA   GLY  72          1HA       GLY  72  23.562   2.964 -13.084
  522   2HA   GLY  72          2HA       GLY  72  23.818   2.835 -11.348
  523    H    GLY  73           H        GLY  73  24.773   1.735 -14.354
  524   1HA   GLY  73          1HA       GLY  73  25.343  -0.945 -13.978
  525   2HA   GLY  73          2HA       GLY  73  26.259   0.120 -15.030
  526    H    SER  74           H        SER  74  27.201   1.843 -12.927
  527    HA   SER  74           HA       SER  74  29.221   0.053 -11.776
  528   1HB   SER  74          2HB       SER  74  29.618   2.969 -11.577
  529   2HB   SER  74          1HB       SER  74  30.745   1.707 -12.082
  530    HG   SER  74           HG       SER  74  29.359   3.396 -13.609
  531    H    GLY  75           H        GLY  75  26.449   0.618 -10.754
  532   1HA   GLY  75          1HA       GLY  75  25.920   0.350  -8.404
  533   2HA   GLY  75          2HA       GLY  75  27.256   1.435  -8.036
  534    H    GLY  76           H        GLY  76  24.823   1.949  -6.932
  535   1HA   GLY  76          1HA       GLY  76  23.520   3.971  -8.604
  536   2HA   GLY  76          2HA       GLY  76  22.963   3.402  -7.036
  537    H    HIS  77           H        HIS  77  23.740   6.132  -8.312
  538    HA   HIS  77           HA       HIS  77  25.045   7.110  -5.902
  539   1HB   HIS  77          2HB       HIS  77  26.404   6.808  -8.439
  540   2HB   HIS  77          1HB       HIS  77  26.368   8.493  -7.940
  541    HD1  HIS  77           1HD      HIS  77  26.595   7.861  -4.825
  542    HD2  HIS  77           2HD      HIS  77  29.067   6.398  -7.837
  543    HE1  HIS  77           1HE      HIS  77  28.759   7.258  -3.695
  544    HE2  HIS  77           2HE      HIS  77  30.149   6.173  -5.497
  545    H    MET  78           H        MET  78  25.439   9.645  -6.330
  546    HA   MET  78           HA       MET  78  24.459  11.682  -6.434
  547   1HB   MET  78          2HB       MET  78  23.734  10.387  -8.924
  548   2HB   MET  78          1HB       MET  78  22.484  11.509  -8.408
  549   1HG   MET  78          2HG       MET  78  23.888  13.339  -8.535
  550   2HG   MET  78          1HG       MET  78  25.347  12.354  -8.442
  551   1HE   MET  78          1HE       MET  78  26.296  11.087 -11.394
  552   2HE   MET  78          2HE       MET  78  25.499  10.372  -9.992
  553   3HE   MET  78          3HE       MET  78  24.761  10.241 -11.588
  554    H    GLY  79           H        GLY  79  23.327   9.504  -4.822
  555   1HA   GLY  79          1HA       GLY  79  21.570   9.279  -3.333
  556   2HA   GLY  79          2HA       GLY  79  20.872  10.756  -3.990
  557    H    SER  80           H        SER  80  19.608  10.653  -5.855
  558    HA   SER  80           HA       SER  80  18.778   7.957  -6.684
  559   1HB   SER  80          2HB       SER  80  16.643   9.730  -7.242
  560   2HB   SER  80          1HB       SER  80  16.665   8.412  -6.072
  561    HG   SER  80           HG       SER  80  17.783  10.918  -5.400
  562    H    GLY  81           H        GLY  81  20.616   8.424  -8.185
  563   1HA   GLY  81          1HA       GLY  81  19.888  10.340 -10.301
  564   2HA   GLY  81          2HA       GLY  81  21.511   9.748  -9.974
  565    H    GLY  82           H        GLY  82  18.603   7.772 -10.211
  566   1HA   GLY  82          1HA       GLY  82  19.878   6.037 -12.102
  567   2HA   GLY  82          2HA       GLY  82  18.237   5.890 -11.487
  568    H    ASP  83           H        ASP  83  17.428   8.555 -12.304
  569    HA   ASP  83           HA       ASP  83  16.582   7.968 -14.962
  570   1HB   ASP  83          2HB       ASP  83  15.297   9.351 -13.295
  571   2HB   ASP  83          1HB       ASP  83  16.464  10.643 -13.554
  572    H    VAL  84           H        VAL  84  19.321   9.508 -13.627
  573    HA   VAL  84           HA       VAL  84  20.024  10.848 -16.121
  574    HB   VAL  84           HB       VAL  84  22.003  10.764 -13.927
  575   1HG1  VAL  84          1HG1      VAL  84  22.640  12.778 -14.751
  576   2HG1  VAL  84          2HG1      VAL  84  21.824  12.160 -16.190
  577   3HG1  VAL  84          3HG1      VAL  84  20.986  13.278 -15.111
  578   1HG2  VAL  84          1HG2      VAL  84  20.749  11.540 -12.266
  579   2HG2  VAL  84          2HG2      VAL  84  20.141  12.842 -13.288
  580   3HG2  VAL  84          3HG2      VAL  84  19.316  11.283 -13.261
  581    H    MET  85           H        MET  85  20.444   7.859 -14.605
  582    HA   MET  85           HA       MET  85  22.982   7.315 -15.953
  583   1HB   MET  85          2HB       MET  85  21.829   6.495 -13.488
  584   2HB   MET  85          1HB       MET  85  22.037   5.062 -14.484
  585   1HG   MET  85          2HG       MET  85  24.039   5.169 -13.366
  586   2HG   MET  85          1HG       MET  85  24.419   5.980 -14.885
  587   1HE   MET  85          1HE       MET  85  26.470   6.904 -14.009
  588   2HE   MET  85          2HE       MET  85  25.789   8.332 -14.785
  589   3HE   MET  85          3HE       MET  85  26.549   8.470 -13.201
  590    H    VAL  86           H        VAL  86  19.674   6.041 -15.735
  591    HA   VAL  86           HA       VAL  86  20.168   4.059 -17.763
  592    HB   VAL  86           HB       VAL  86  17.436   4.925 -16.831
  593   1HG1  VAL  86          1HG1      VAL  86  17.845   3.312 -18.789
  594   2HG1  VAL  86          2HG1      VAL  86  18.350   2.161 -17.553
  595   3HG1  VAL  86          3HG1      VAL  86  16.713   2.818 -17.530
  596   1HG2  VAL  86          1HG2      VAL  86  17.555   3.451 -14.976
  597   2HG2  VAL  86          2HG2      VAL  86  19.115   2.813 -15.494
  598   3HG2  VAL  86          3HG2      VAL  86  18.994   4.467 -14.896
  599    H    VAL  87           H        VAL  87  21.028   5.861 -19.167
  600    HA   VAL  87           HA       VAL  87  18.861   6.769 -20.935
  601    HB   VAL  87           HB       VAL  87  20.615   8.659 -21.517
  602   1HG1  VAL  87          1HG1      VAL  87  18.471   8.503 -19.497
  603   2HG1  VAL  87          2HG1      VAL  87  19.512   9.926 -19.423
  604   3HG1  VAL  87          3HG1      VAL  87  18.633   9.552 -20.905
  605   1HG2  VAL  87          1HG2      VAL  87  21.384   9.330 -18.998
  606   2HG2  VAL  87          2HG2      VAL  87  21.578   7.578 -18.965
  607   3HG2  VAL  87          3HG2      VAL  87  22.420   8.533 -20.183
  608    H    GLY  88           H        GLY  88  19.212   4.889 -22.154
  609   1HA   GLY  88          1HA       GLY  88  20.194   4.289 -24.305
  610   2HA   GLY  88          2HA       GLY  88  21.726   4.909 -23.704
  611    H    GLU  89           H        GLU  89  19.822   3.175 -21.478
  612    HA   GLU  89           HA       GLU  89  21.692   0.914 -21.605
  613   1HB   GLU  89          2HB       GLU  89  19.803   1.843 -19.425
  614   2HB   GLU  89          1HB       GLU  89  20.817   0.411 -19.314
  615   1HG   GLU  89          2HG       GLU  89  22.309   2.807 -20.013
  616   2HG   GLU  89          1HG       GLU  89  21.471   2.934 -18.467
  617    HA   PRO  90           HA       PRO  90  18.709  -2.096 -22.917
  618   1HB   PRO  90          2HB       PRO  90  18.782  -3.452 -20.267
  619   2HB   PRO  90          1HB       PRO  90  19.057  -4.119 -21.882
  620   1HG   PRO  90          2HG       PRO  90  21.101  -3.685 -20.240
  621   2HG   PRO  90          1HG       PRO  90  21.244  -3.342 -21.973
  622   1HD   PRO  90          2HD       PRO  90  20.861  -1.451 -19.692
  623   2HD   PRO  90          1HD       PRO  90  21.843  -1.264 -21.159
  624    H    THR  91           H        THR  91  18.196  -0.819 -19.685
  625    HA   THR  91           HA       THR  91  15.373  -1.315 -19.618
  626    HB   THR  91           HB       THR  91  16.210   0.884 -17.939
  627    HG1  THR  91           1HG      THR  91  17.814  -0.241 -16.750
  628   1HG2  THR  91          1HG2      THR  91  14.996  -1.810 -17.653
  629   2HG2  THR  91          2HG2      THR  91  14.428  -0.246 -17.069
  630   3HG2  THR  91          3HG2      THR  91  15.723  -1.089 -16.214
  631    H    LEU  92           H        LEU  92  14.007  -0.289 -20.925
  632    HA   LEU  92           HA       LEU  92  14.743   2.105 -22.308
  633   1HB   LEU  92          2HB       LEU  92  11.946   1.027 -22.196
  634   2HB   LEU  92          1HB       LEU  92  12.747   1.869 -23.508
  635    HG   LEU  92           HG       LEU  92  13.442  -0.928 -22.612
  636   1HD1  LEU  92          1HD1      LEU  92  11.863  -1.757 -23.936
  637   2HD1  LEU  92          2HD1      LEU  92  11.170  -0.134 -23.965
  638   3HD1  LEU  92          3HD1      LEU  92  12.272  -0.645 -25.245
  639   1HD2  LEU  92          1HD2      LEU  92  15.103   0.698 -23.863
  640   2HD2  LEU  92          2HD2      LEU  92  14.984  -1.008 -24.291
  641   3HD2  LEU  92          3HD2      LEU  92  14.153   0.204 -25.264
  642    H    MET  93           H        MET  93  12.730   1.318 -19.563
  643    HA   MET  93           HA       MET  93  12.301   4.200 -19.107
  644   1HB   MET  93          2HB       MET  93  10.187   2.990 -19.452
  645   2HB   MET  93          1HB       MET  93  10.613   1.872 -18.164
  646   1HG   MET  93          2HG       MET  93  10.811   4.408 -17.026
  647   2HG   MET  93          1HG       MET  93   9.356   4.454 -18.018
  648   1HE   MET  93          1HE       MET  93   9.108   5.177 -15.501
  649   2HE   MET  93          2HE       MET  93   7.729   4.268 -14.882
  650   3HE   MET  93          3HE       MET  93   9.319   4.065 -14.145
  651    H    GLY  94           H        GLY  94  14.003   4.708 -17.832
  652   1HA   GLY  94          1HA       GLY  94  14.815   2.902 -15.690
  653   2HA   GLY  94          2HA       GLY  94  15.629   4.384 -16.174
  654    H    GLY  95           H        GLY  95  12.587   3.263 -14.711
  655   1HA   GLY  95          1HA       GLY  95  12.139   5.819 -13.449
  656   2HA   GLY  95          2HA       GLY  95  11.163   4.368 -13.260
  657    H    GLU  96           H        GLU  96  13.138   2.599 -12.400
  658    HA   GLU  96           HA       GLU  96  13.152   3.038  -9.638
  659   1HB   GLU  96          2HB       GLU  96  14.928   1.248 -11.304
  660   2HB   GLU  96          1HB       GLU  96  14.815   1.186  -9.551
  661   1HG   GLU  96          2HG       GLU  96  13.010  -0.089  -9.640
  662   2HG   GLU  96          1HG       GLU  96  12.203   1.019 -10.748
  663    H    PHE  97           H        PHE  97  14.490   4.021  -8.263
  664    HA   PHE  97           HA       PHE  97  16.167   5.292  -7.430
  665   1HB   PHE  97          2HB       PHE  97  17.506   3.457  -9.159
  666   2HB   PHE  97          1HB       PHE  97  18.275   5.031  -9.317
  667    HD1  PHE  97           1HD      PHE  97  16.637   3.932  -6.233
  668    HD2  PHE  97           2HD      PHE  97  20.333   4.374  -8.291
  669    HE1  PHE  97           1HE      PHE  97  17.851   3.541  -4.128
  670    HE2  PHE  97           2HE      PHE  97  21.555   3.989  -6.188
  671    HZ   PHE  97           HZ       PHE  97  20.312   3.569  -4.104
  672    H    GLY  98           H        GLY  98  14.432   6.054  -9.890
  673   1HA   GLY  98          1HA       GLY  98  15.998   8.273 -10.956
  674   2HA   GLY  98          2HA       GLY  98  14.391   7.781 -11.477
  675    H    ASP  99           H        ASP  99  14.517   7.842  -8.170
  676    HA   ASP  99           HA       ASP  99  13.929   9.283  -6.510
  677   1HB   ASP  99          2HB       ASP  99  15.213  11.113  -7.223
  678   2HB   ASP  99          1HB       ASP  99  14.268  11.329  -8.691
  679    H    GLU 100           H        GLU 100  12.219   9.580  -9.589
  680    HA   GLU 100           HA       GLU 100   9.703  10.022  -8.171
  681   1HB   GLU 100          2HB       GLU 100  10.311   9.909 -11.132
  682   2HB   GLU 100          1HB       GLU 100   8.728  10.239 -10.443
  683   1HG   GLU 100          2HG       GLU 100   9.852  12.191  -9.244
  684   2HG   GLU 100          1HG       GLU 100  11.195  11.935 -10.356
  685    H    ASP 101           H        ASP 101  11.316   7.459  -8.152
  686    HA   ASP 101           HA       ASP 101   9.524   5.590  -9.473
  687   1HB   ASP 101          2HB       ASP 101  10.978   3.838  -8.374
  688   2HB   ASP 101          1HB       ASP 101  11.776   4.871  -9.553
  689    H    GLU 102           H        GLU 102   9.864   7.130  -6.469
  690    HA   GLU 102           HA       GLU 102   8.168   5.212  -5.082
  691   1HB   GLU 102          2HB       GLU 102   8.222   7.261  -3.367
  692   2HB   GLU 102          1HB       GLU 102   9.505   6.064  -3.442
  693   1HG   GLU 102          2HG       GLU 102  10.992   7.621  -3.925
  694   2HG   GLU 102          1HG       GLU 102  10.041   8.165  -5.307
  695    H    ARG 103           H        ARG 103   7.381   8.335  -4.167
  696    HA   ARG 103           HA       ARG 103   5.386   9.464  -4.259
  697   1HB   ARG 103          2HB       ARG 103   6.682   9.417  -6.881
  698   2HB   ARG 103          1HB       ARG 103   4.970   9.811  -6.958
  699   1HG   ARG 103          2HG       ARG 103   5.354  11.871  -6.244
  700   2HG   ARG 103          1HG       ARG 103   6.217  11.270  -4.827
  701   1HD   ARG 103          2HD       ARG 103   7.696  11.094  -7.361
  702   2HD   ARG 103          1HD       ARG 103   7.349  12.733  -6.812
  703    HE   ARG 103           HE       ARG 103   8.391  11.147  -4.696
  704   1HH1  ARG 103          2HH1      ARG 103   9.317  12.960  -7.553
  705   2HH1  ARG 103          1HH1      ARG 103  10.986  13.099  -7.073
  706   1HH2  ARG 103          2HH2      ARG 103  10.559  11.394  -4.039
  707   2HH2  ARG 103          1HH2      ARG 103  11.684  12.245  -5.070
  708    H    LEU 104           H        LEU 104   4.797   6.820  -3.876
  709    HA   LEU 104           HA       LEU 104   2.689   6.191  -5.802
  710   1HB   LEU 104          2HB       LEU 104   4.272   4.581  -3.842
  711   2HB   LEU 104          1HB       LEU 104   2.710   3.991  -4.378
  712    HG   LEU 104           HG       LEU 104   4.591   4.818  -6.509
  713   1HD1  LEU 104          1HD1      LEU 104   6.291   3.640  -5.653
  714   2HD1  LEU 104          2HD1      LEU 104   5.262   2.814  -4.484
  715   3HD1  LEU 104          3HD1      LEU 104   5.350   2.232  -6.147
  716   1HD2  LEU 104          1HD2      LEU 104   2.960   2.308  -6.243
  717   2HD2  LEU 104          2HD2      LEU 104   2.267   3.833  -6.791
  718   3HD2  LEU 104          3HD2      LEU 104   3.565   3.074  -7.710
  719    H    ILE 105           H        ILE 105   2.992   7.768  -2.927
  720    HA   ILE 105           HA       ILE 105   0.693   6.682  -1.592
  721    HB   ILE 105           HB       ILE 105   2.204   9.241  -1.047
  722   1HG1  ILE 105          2HG1      ILE 105   2.374   6.451   0.094
  723   1HG2  ILE 105          1HG2      ILE 105  -0.176   7.989   0.207
  724   2HG2  ILE 105          2HG2      ILE 105   1.044   8.663   1.292
  725   3HG2  ILE 105          3HG2      ILE 105   0.281   9.689   0.078
  726   1HD1  ILE 105          1HD1      ILE 105   2.532   7.728   2.037
  727   2HD1  ILE 105          2HD1      ILE 105   4.196   7.424   1.541
  728   3HD1  ILE 105          3HD1      ILE 105   3.458   8.994   1.232
  729    H    THR 106           H        THR 106  -1.023   6.816  -2.929
  730    HA   THR 106           HA       THR 106  -1.929   9.486  -3.751
  731    HB   THR 106           HB       THR 106  -2.873   6.723  -4.572
  732    HG1  THR 106           1HG      THR 106  -1.711   7.047  -6.374
  733   1HG2  THR 106          1HG2      THR 106  -3.821   8.676  -6.367
  734   2HG2  THR 106          2HG2      THR 106  -4.219   9.246  -4.747
  735   3HG2  THR 106          3HG2      THR 106  -4.766   7.655  -5.279
  736    H    ARG 107           H        ARG 107  -2.535  10.131  -1.670
  737    HA   ARG 107           HA       ARG 107  -4.299   8.417  -0.142
  738   1HB   ARG 107          2HB       ARG 107  -4.051  10.561   1.440
  739   2HB   ARG 107          1HB       ARG 107  -2.840   9.290   1.360
  740   1HG   ARG 107          2HG       ARG 107  -1.571  11.206   1.211
  741   2HG   ARG 107          1HG       ARG 107  -1.769  10.754  -0.484
  742   1HD   ARG 107          2HD       ARG 107  -2.165  13.084  -0.355
  743   2HD   ARG 107          1HD       ARG 107  -3.742  12.315  -0.550
  744    HE   ARG 107           HE       ARG 107  -4.229  12.789   1.721
  745   1HH1  ARG 107          2HH1      ARG 107  -1.160  14.115   0.645
  746   2HH1  ARG 107          1HH1      ARG 107  -1.049  15.249   1.956
  747   1HH2  ARG 107          2HH2      ARG 107  -4.103  14.291   3.414
  748   2HH2  ARG 107          1HH2      ARG 107  -2.736  15.377   3.519
  749    H    LEU 108           H        LEU 108  -6.358   8.886   0.521
  750    HA   LEU 108           HA       LEU 108  -7.602  11.335  -0.485
  751   1HB   LEU 108          2HB       LEU 108  -7.981   8.824  -1.689
  752   2HB   LEU 108          1HB       LEU 108  -9.432   9.126  -0.754
  753    HG   LEU 108           HG       LEU 108  -9.841   9.926  -2.954
  754   1HD1  LEU 108          1HD1      LEU 108 -10.376  12.209  -2.582
  755   2HD1  LEU 108          2HD1      LEU 108 -10.549  11.376  -1.039
  756   3HD1  LEU 108          3HD1      LEU 108  -9.126  12.371  -1.350
  757   1HD2  LEU 108          1HD2      LEU 108  -8.370  11.002  -4.297
  758   2HD2  LEU 108          2HD2      LEU 108  -7.627  11.889  -2.965
  759   3HD2  LEU 108          3HD2      LEU 108  -7.200  10.201  -3.248
  760    H    GLU 109           H        GLU 109  -8.077  12.229   1.402
  761    HA   GLU 109           HA       GLU 109  -9.332  10.629   3.504
  762   1HB   GLU 109          2HB       GLU 109  -8.244  13.448   3.509
  763   2HB   GLU 109          1HB       GLU 109  -9.007  12.680   4.894
  764   1HG   GLU 109          2HG       GLU 109  -6.921  12.116   5.456
  765   2HG   GLU 109          1HG       GLU 109  -7.118  10.846   4.249
  766    H    ASN 110           H        ASN 110 -11.237  11.457   4.566
  767    HA   ASN 110           HA       ASN 110 -13.322  12.012   2.807
  768   1HB   ASN 110          2HB       ASN 110 -13.465  11.006   5.143
  769   2HB   ASN 110          1HB       ASN 110 -13.387  12.657   5.753
  770   1HD2  ASN 110          1HD2      ASN 110 -15.158  10.682   3.405
  771   2HD2  ASN 110          2HD2      ASN 110 -16.696  11.426   3.692
  772    H    THR 111           H        THR 111 -13.452  13.778   1.625
  773    HA   THR 111           HA       THR 111 -13.739  15.942   1.014
  774    HB   THR 111           HB       THR 111 -13.521  16.997   3.802
  775    HG1  THR 111           1HG      THR 111 -15.436  15.176   2.841
  776   1HG2  THR 111          1HG2      THR 111 -14.487  18.778   2.868
  777   2HG2  THR 111          2HG2      THR 111 -15.820  17.792   2.268
  778   3HG2  THR 111          3HG2      THR 111 -14.355  17.976   1.303
  779    H    GLN 112           H        GLN 112 -11.270  15.350   3.451
  780    HA   GLN 112           HA       GLN 112  -9.081  15.880   3.589
  781   1HB   GLN 112          2HB       GLN 112  -9.639  16.116   0.713
  782   2HB   GLN 112          1HB       GLN 112  -8.236  17.029   1.255
  783   1HG   GLN 112          2HG       GLN 112  -7.631  14.782   2.456
  784   2HG   GLN 112          1HG       GLN 112  -8.703  14.091   1.240
  785   1HE2  GLN 112          1HE2      GLN 112  -6.094  16.492   1.421
  786   2HE2  GLN 112          2HE2      GLN 112  -5.259  15.934   0.004
  787    H    PHE 113           H        PHE 113  -9.768  18.471   1.312
  788    HA   PHE 113           HA       PHE 113  -8.761  20.455   3.133
  789   1HB   PHE 113          2HB       PHE 113 -10.278  21.092   0.614
  790   2HB   PHE 113          1HB       PHE 113  -8.948  21.976   1.358
  791    HD1  PHE 113           1HD      PHE 113  -6.646  20.883   1.335
  792    HD2  PHE 113           2HD      PHE 113  -9.883  19.567  -1.092
  793    HE1  PHE 113           1HE      PHE 113  -5.057  19.743  -0.157
  794    HE2  PHE 113           2HE      PHE 113  -8.299  18.422  -2.587
  795    HZ   PHE 113           HZ       PHE 113  -5.885  18.511  -2.122
  796    H    ASP 114           H        ASP 114  -9.930  21.009   4.813
  797    HA   ASP 114           HA       ASP 114 -11.655  21.610   6.160
  798   1HB   ASP 114          2HB       ASP 114 -12.145  23.342   4.435
  799   2HB   ASP 114          1HB       ASP 114 -13.201  22.192   3.622
  800    H    ALA 115           H        ALA 115 -11.371  19.167   6.250
  801    HA   ALA 115           HA       ALA 115 -13.124  17.405   5.010
  802   1HB   ALA 115          1HB       ALA 115 -12.202  16.720   7.736
  803   2HB   ALA 115          2HB       ALA 115 -12.116  15.789   6.242
  804   3HB   ALA 115          3HB       ALA 115 -10.962  17.089   6.539
  805    H    ALA 116           H        ALA 116 -15.157  16.759   5.362
  806    HA   ALA 116           HA       ALA 116 -16.752  18.089   7.378
  807   1HB   ALA 116          1HB       ALA 116 -17.302  16.232   5.110
  808   2HB   ALA 116          2HB       ALA 116 -18.497  16.382   6.397
  809   3HB   ALA 116          3HB       ALA 116 -18.010  17.804   5.476
  810    H    ASN 117           H        ASN 117 -15.616  14.835   6.642
  811    HA   ASN 117           HA       ASN 117 -15.322  12.965   7.877
  812   1HB   ASN 117          2HB       ASN 117 -13.956  14.800   9.122
  813   2HB   ASN 117          1HB       ASN 117 -15.202  14.640  10.357
  814   1HD2  ASN 117          1HD2      ASN 117 -13.315  13.987  11.640
  815   2HD2  ASN 117          2HD2      ASN 117 -12.852  12.311  11.613
  816    H    GLY 118           H        GLY 118 -17.977  13.491   7.373
  817   1HA   GLY 118          1HA       GLY 118 -19.380  12.867   9.880
  818   2HA   GLY 118          2HA       GLY 118 -20.143  13.291   8.352
  819    H    ILE 119           H        ILE 119 -17.731  10.878   9.306
  820    HA   ILE 119           HA       ILE 119 -17.627   8.620   9.105
  821    HB   ILE 119           HB       ILE 119 -20.559   8.692   8.367
  822   1HG1  ILE 119          2HG1      ILE 119 -19.660   7.625  10.977
  823   1HG2  ILE 119          1HG2      ILE 119 -20.383   6.529   7.916
  824   2HG2  ILE 119          2HG2      ILE 119 -18.644   6.610   8.193
  825   3HG2  ILE 119          3HG2      ILE 119 -19.735   6.231   9.528
  826   1HD1  ILE 119          1HD1      ILE 119 -21.749   8.024  11.591
  827   2HD1  ILE 119          2HD1      ILE 119 -21.690   9.685  11.002
  828   3HD1  ILE 119          3HD1      ILE 119 -22.082   8.370   9.894
  829    H    ASP 120           H        ASP 120 -19.802   9.827   6.539
  830    HA   ASP 120           HA       ASP 120 -17.769   8.979   4.600
  831   1HB   ASP 120          2HB       ASP 120 -19.993   7.526   4.746
  832   2HB   ASP 120          1HB       ASP 120 -20.635   8.845   3.772
  833    H    ASP 121           H        ASP 121 -18.278  10.077   2.415
  834    HA   ASP 121           HA       ASP 121 -18.404  12.911   2.972
  835   1HB   ASP 121          2HB       ASP 121 -16.946  11.453   1.216
  836   2HB   ASP 121          1HB       ASP 121 -18.249  11.993   0.163
  837    H    GLU 122           H        GLU 122 -20.511  13.374   3.487
  838    HA   GLU 122           HA       GLU 122 -22.589  12.724   1.524
  839   1HB   GLU 122          2HB       GLU 122 -22.632  12.445   4.203
  840   2HB   GLU 122          1HB       GLU 122 -23.275  14.076   4.072
  841   1HG   GLU 122          2HG       GLU 122 -25.051  12.420   4.155
  842   2HG   GLU 122          1HG       GLU 122 -25.051  13.288   2.620
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -24.841   5.926  -0.160
    2   2H    GLY   1          2H        GLY   1 -25.171   5.398  -1.736
    3   3H    GLY   1          3H        GLY   1 -23.568   5.597  -1.231
    4   1HA   GLY   1          2HA       GLY   1 -24.009   3.851   0.500
    5   2HA   GLY   1          1HA       GLY   1 -25.504   3.533  -0.367
    6    H    SER   2           H        SER   2 -24.728   1.397  -0.735
    7    HA   SER   2           HA       SER   2 -23.720  -0.274  -1.890
    8   1HB   SER   2          2HB       SER   2 -23.421   1.708  -4.145
    9   2HB   SER   2          1HB       SER   2 -23.724  -0.030  -4.242
   10    HG   SER   2           HG       SER   2 -25.767   0.481  -3.120
   11    H    LEU   3           H        LEU   3 -21.853   1.657  -3.993
   12    HA   LEU   3           HA       LEU   3 -19.664   2.112  -4.233
   13   1HB   LEU   3          2HB       LEU   3 -20.206   2.784  -1.627
   14   2HB   LEU   3          1HB       LEU   3 -18.843   1.694  -1.454
   15    HG   LEU   3           HG       LEU   3 -18.387   3.652  -3.549
   16   1HD1  LEU   3          1HD1      LEU   3 -18.005   5.276  -1.350
   17   2HD1  LEU   3          2HD1      LEU   3 -19.255   5.456  -2.580
   18   3HD1  LEU   3          3HD1      LEU   3 -19.607   4.583  -1.088
   19   1HD2  LEU   3          1HD2      LEU   3 -16.485   4.053  -1.680
   20   2HD2  LEU   3          2HD2      LEU   3 -17.006   2.422  -1.259
   21   3HD2  LEU   3          3HD2      LEU   3 -16.425   2.770  -2.886
   22    H    SER   4           H        SER   4 -17.877   1.029  -4.812
   23    HA   SER   4           HA       SER   4 -17.768  -1.817  -4.452
   24   1HB   SER   4          2HB       SER   4 -15.430  -0.174  -5.383
   25   2HB   SER   4          1HB       SER   4 -15.948  -1.772  -5.918
   26    HG   SER   4           HG       SER   4 -17.939  -0.386  -6.598
   27    H    TRP   5           H        TRP   5 -17.010  -2.814  -2.715
   28    HA   TRP   5           HA       TRP   5 -16.167  -1.403  -0.494
   29   1HB   TRP   5          2HB       TRP   5 -16.115  -3.409   0.639
   30   2HB   TRP   5          1HB       TRP   5 -17.153  -3.810  -0.719
   31    HD1  TRP   5           HD       TRP   5 -15.645  -5.012  -2.876
   32    HE1  TRP   5           1HE      TRP   5 -13.942  -6.927  -2.630
   33    HE3  TRP   5           3HE      TRP   5 -14.523  -4.471   2.082
   34    HZ2  TRP   5           2HZ      TRP   5 -12.334  -8.053  -0.608
   35    HZ3  TRP   5           3HZ      TRP   5 -12.888  -6.006   3.093
   36    HH2  TRP   5           HH       TRP   5 -11.816  -7.758   1.773
   37    H    LYS   6           H        LYS   6 -14.344  -0.624   0.196
   38    HA   LYS   6           HA       LYS   6 -11.962  -0.942  -1.417
   39   1HB   LYS   6          2HB       LYS   6 -13.033   1.023   0.439
   40   2HB   LYS   6          1HB       LYS   6 -11.348   0.661   0.787
   41   1HG   LYS   6          2HG       LYS   6 -10.762   2.055  -0.822
   42   2HG   LYS   6          1HG       LYS   6 -11.513   0.969  -1.994
   43   1HD   LYS   6          2HD       LYS   6 -13.061   2.503  -2.428
   44   2HD   LYS   6          1HD       LYS   6 -13.570   2.481  -0.739
   45   1HE   LYS   6          2HE       LYS   6 -12.249   4.288  -0.177
   46   2HE   LYS   6          1HE       LYS   6 -11.138   4.025  -1.520
   47   1HZ   LYS   6          1HZ       LYS   6 -13.750   5.375  -1.500
   48   2HZ   LYS   6          2HZ       LYS   6 -13.235   4.617  -2.929
   49   3HZ   LYS   6          3HZ       LYS   6 -12.298   5.846  -2.237
   50    H    ARG   7           H        ARG   7 -10.578  -2.534  -1.009
   51    HA   ARG   7           HA       ARG   7 -10.559  -3.688   1.681
   52   1HB   ARG   7          2HB       ARG   7 -10.413  -5.687   0.683
   53   2HB   ARG   7          1HB       ARG   7 -10.753  -4.850  -0.822
   54   1HG   ARG   7          2HG       ARG   7  -8.872  -5.806  -1.530
   55   2HG   ARG   7          1HG       ARG   7  -8.060  -4.528  -0.626
   56   1HD   ARG   7          2HD       ARG   7  -7.847  -7.306  -0.256
   57   2HD   ARG   7          1HD       ARG   7  -7.135  -6.024   0.722
   58    HE   ARG   7           HE       ARG   7  -9.457  -6.126   1.890
   59   1HH1  ARG   7          2HH1      ARG   7  -7.574  -8.805   0.665
   60   2HH1  ARG   7          1HH1      ARG   7  -8.261  -9.965   1.768
   61   1HH2  ARG   7          2HH2      ARG   7 -10.386  -7.662   3.348
   62   2HH2  ARG   7          1HH2      ARG   7  -9.821  -9.304   3.312
   63    H    CYS   8           H        CYS   8  -8.773  -3.861   2.905
   64    HA   CYS   8           HA       CYS   8  -6.556  -2.131   2.230
   65   1HB   CYS   8          2HB       CYS   8  -6.957  -1.677   4.400
   66   2HB   CYS   8          1HB       CYS   8  -7.808  -3.193   4.654
   67    H    ALA   9           H        ALA   9  -4.449  -2.740   1.965
   68    HA   ALA   9           HA       ALA   9  -4.021  -5.599   1.486
   69   1HB   ALA   9          1HB       ALA   9  -2.027  -3.554   0.661
   70   2HB   ALA   9          2HB       ALA   9  -2.523  -5.042  -0.144
   71   3HB   ALA   9          3HB       ALA   9  -3.566  -3.621  -0.197
   72    H    GLY  10           H        GLY  10  -3.682  -3.755   4.069
   73   1HA   GLY  10          1HA       GLY  10  -0.995  -4.785   4.758
   74   2HA   GLY  10          2HA       GLY  10  -1.754  -3.394   5.521
   75    H    CYS  11           H        CYS  11  -3.912  -3.925   6.577
   76    HA   CYS  11           HA       CYS  11  -3.603  -6.358   8.119
   77   1HB   CYS  11          2HB       CYS  11  -5.886  -5.054   9.068
   78   2HB   CYS  11          1HB       CYS  11  -4.326  -5.223   9.844
   79    H    GLY  12           H        GLY  12  -5.134  -5.404   5.365
   80   1HA   GLY  12          1HA       GLY  12  -6.539  -6.546   3.971
   81   2HA   GLY  12          2HA       GLY  12  -6.216  -7.948   4.977
   82    H    GLY  13           H        GLY  13  -8.063  -4.895   5.277
   83   1HA   GLY  13          1HA       GLY  13 -10.373  -6.545   5.960
   84   2HA   GLY  13          2HA       GLY  13  -9.957  -5.153   6.953
   85    H    LYS  14           H        LYS  14 -12.032  -4.411   6.418
   86    HA   LYS  14           HA       LYS  14 -12.379  -3.373   3.700
   87   1HB   LYS  14          2HB       LYS  14 -14.245  -4.707   4.565
   88   2HB   LYS  14          1HB       LYS  14 -14.381  -3.638   5.956
   89   1HG   LYS  14          2HG       LYS  14 -15.364  -1.966   4.750
   90   2HG   LYS  14          1HG       LYS  14 -14.595  -2.451   3.239
   91   1HD   LYS  14          2HD       LYS  14 -16.068  -4.380   3.086
   92   2HD   LYS  14          1HD       LYS  14 -16.811  -3.953   4.629
   93   1HE   LYS  14          2HE       LYS  14 -17.105  -1.634   3.246
   94   2HE   LYS  14          1HE       LYS  14 -17.227  -2.821   1.947
   95   1HZ   LYS  14          1HZ       LYS  14 -18.881  -3.980   3.497
   96   2HZ   LYS  14          2HZ       LYS  14 -19.396  -2.579   2.685
   97   3HZ   LYS  14          3HZ       LYS  14 -18.950  -2.496   4.320
   98    H    ILE  15           H        ILE  15 -11.827  -1.345   3.364
   99    HA   ILE  15           HA       ILE  15 -11.710   0.511   5.630
  100    HB   ILE  15           HB       ILE  15 -10.833   1.504   3.018
  101   1HG1  ILE  15          2HG1      ILE  15  -9.087  -0.579   4.325
  102   1HG2  ILE  15          1HG2      ILE  15  -8.845   1.498   5.086
  103   2HG2  ILE  15          2HG2      ILE  15  -9.690   2.860   4.347
  104   3HG2  ILE  15          3HG2      ILE  15 -10.398   2.031   5.734
  105   1HD1  ILE  15          1HD1      ILE  15  -8.135  -0.669   2.011
  106   2HD1  ILE  15          2HD1      ILE  15  -9.076   0.778   1.652
  107   3HD1  ILE  15          3HD1      ILE  15  -7.834   0.820   2.902
  108    H    ALA  16           H        ALA  16 -13.853   1.049   5.880
  109    HA   ALA  16           HA       ALA  16 -15.240   2.267   3.588
  110   1HB   ALA  16          1HB       ALA  16 -16.714   2.241   6.089
  111   2HB   ALA  16          2HB       ALA  16 -17.152   1.581   4.515
  112   3HB   ALA  16          3HB       ALA  16 -16.166   0.632   5.624
  113    H    ASP  17           H        ASP  17 -12.932   3.371   4.973
  114    HA   ASP  17           HA       ASP  17 -14.028   5.684   6.381
  115   1HB   ASP  17          2HB       ASP  17 -11.406   4.278   6.349
  116   2HB   ASP  17          1HB       ASP  17 -11.367   6.018   6.599
  117    H    ARG  18           H        ARG  18 -13.401   7.797   5.828
  118    HA   ARG  18           HA       ARG  18 -13.063   8.249   2.984
  119   1HB   ARG  18          2HB       ARG  18 -14.551   9.683   4.343
  120   2HB   ARG  18          1HB       ARG  18 -13.171  10.194   5.306
  121   1HG   ARG  18          2HG       ARG  18 -12.561  11.725   3.808
  122   2HG   ARG  18          1HG       ARG  18 -12.776  10.611   2.457
  123   1HD   ARG  18          2HD       ARG  18 -15.289  11.444   3.684
  124   2HD   ARG  18          1HD       ARG  18 -14.367  12.780   2.998
  125    HE   ARG  18           HE       ARG  18 -14.696  11.916   0.877
  126   1HH1  ARG  18          2HH1      ARG  18 -15.919   9.676   3.290
  127   2HH1  ARG  18          1HH1      ARG  18 -16.632   8.611   2.118
  128   1HH2  ARG  18          2HH2      ARG  18 -15.661  10.556  -0.643
  129   2HH2  ARG  18          1HH2      ARG  18 -16.472   9.102  -0.125
  130    H    PHE  19           H        PHE  19 -11.234   8.401   5.916
  131    HA   PHE  19           HA       PHE  19  -8.890   9.579   4.662
  132   1HB   PHE  19          2HB       PHE  19  -8.778   8.433   7.397
  133   2HB   PHE  19          1HB       PHE  19  -8.126   9.951   6.805
  134    HD1  PHE  19           1HD      PHE  19 -10.518   8.507   8.894
  135    HD2  PHE  19           2HD      PHE  19 -10.013  11.716   6.160
  136    HE1  PHE  19           1HE      PHE  19 -12.389   9.709   9.952
  137    HE2  PHE  19           2HE      PHE  19 -11.876  12.918   7.191
  138    HZ   PHE  19           HZ       PHE  19 -13.073  11.916   9.103
  139    H    LEU  20           H        LEU  20  -7.980   8.055   3.215
  140    HA   LEU  20           HA       LEU  20  -6.735   5.788   4.439
  141   1HB   LEU  20          2HB       LEU  20  -7.830   3.985   3.405
  142   2HB   LEU  20          1HB       LEU  20  -9.078   4.967   4.127
  143    HG   LEU  20           HG       LEU  20 -10.084   4.410   2.162
  144   1HD1  LEU  20          1HD1      LEU  20  -9.322   7.013   2.258
  145   2HD1  LEU  20          2HD1      LEU  20  -8.766   6.529   0.653
  146   3HD1  LEU  20          3HD1      LEU  20 -10.462   6.325   1.100
  147   1HD2  LEU  20          1HD2      LEU  20  -8.947   3.182   0.728
  148   2HD2  LEU  20          2HD2      LEU  20  -8.289   4.666   0.041
  149   3HD2  LEU  20          3HD2      LEU  20  -7.414   3.823   1.320
  150    H    LEU  21           H        LEU  21  -5.369   4.566   2.939
  151    HA   LEU  21           HA       LEU  21  -4.487   6.371   0.796
  152   1HB   LEU  21          2HB       LEU  21  -3.066   5.527   2.917
  153   2HB   LEU  21          1HB       LEU  21  -2.687   4.243   1.783
  154    HG   LEU  21           HG       LEU  21  -2.422   6.903   0.608
  155   1HD1  LEU  21          1HD1      LEU  21  -1.429   7.914   2.327
  156   2HD1  LEU  21          2HD1      LEU  21  -1.285   6.413   3.242
  157   3HD1  LEU  21          3HD1      LEU  21  -0.073   6.824   2.027
  158   1HD2  LEU  21          1HD2      LEU  21  -0.114   5.104   0.840
  159   2HD2  LEU  21          2HD2      LEU  21  -1.535   4.394   0.074
  160   3HD2  LEU  21          3HD2      LEU  21  -0.823   5.869  -0.582
  161    H    TYR  22           H        TYR  22  -3.607   5.464  -1.123
  162    HA   TYR  22           HA       TYR  22  -4.451   2.715  -1.726
  163   1HB   TYR  22          2HB       TYR  22  -4.626   4.687  -3.942
  164   2HB   TYR  22          1HB       TYR  22  -5.586   3.253  -3.644
  165    HD1  TYR  22           1HD      TYR  22  -7.807   3.627  -3.347
  166    HD2  TYR  22           2HD      TYR  22  -5.083   6.586  -1.956
  167    HE1  TYR  22           1HE      TYR  22  -9.696   5.050  -2.660
  168    HE2  TYR  22           2HE      TYR  22  -6.956   7.999  -1.235
  169    HH   TYR  22           HH       TYR  22  -9.150   8.252  -1.189
  170    H    ALA  23           H        ALA  23  -2.908   1.555  -2.753
  171    HA   ALA  23           HA       ALA  23  -0.884   2.873  -4.326
  172   1HB   ALA  23          1HB       ALA  23   0.036   3.073  -2.049
  173   2HB   ALA  23          2HB       ALA  23  -0.035   1.320  -1.882
  174   3HB   ALA  23          3HB       ALA  23   1.031   2.048  -3.082
  175    H    MET  24           H        MET  24  -0.196   1.609  -5.939
  176    HA   MET  24           HA       MET  24   0.073  -0.175  -7.324
  177   1HB   MET  24          2HB       MET  24   0.065  -1.629  -4.685
  178   2HB   MET  24          1HB       MET  24   0.241  -2.479  -6.212
  179   1HG   MET  24          2HG       MET  24   2.071  -0.341  -5.150
  180   2HG   MET  24          1HG       MET  24   2.393  -2.073  -5.175
  181   1HE   MET  24          1HE       MET  24   3.286  -2.908  -8.732
  182   2HE   MET  24          2HE       MET  24   3.818  -3.130  -7.069
  183   3HE   MET  24          3HE       MET  24   2.137  -3.438  -7.502
  184    H    ASP  25           H        ASP  25  -2.517   0.872  -6.859
  185    HA   ASP  25           HA       ASP  25  -4.709   0.499  -7.255
  186   1HB   ASP  25          2HB       ASP  25  -3.363  -1.572  -8.826
  187   2HB   ASP  25          1HB       ASP  25  -5.017  -1.990  -8.388
  188    H    SER  26           H        SER  26  -3.353  -0.478  -4.828
  189    HA   SER  26           HA       SER  26  -5.555  -2.162  -3.873
  190   1HB   SER  26          2HB       SER  26  -2.943  -2.325  -2.449
  191   2HB   SER  26          1HB       SER  26  -4.167  -3.571  -2.694
  192    HG   SER  26           HG       SER  26  -2.950  -2.733  -5.012
  193    H    TYR  27           H        TYR  27  -6.351  -1.588  -1.860
  194    HA   TYR  27           HA       TYR  27  -5.617   1.137  -1.123
  195   1HB   TYR  27          2HB       TYR  27  -8.105  -0.323  -0.266
  196   2HB   TYR  27          1HB       TYR  27  -7.826   1.415  -0.335
  197    HD1  TYR  27           1HD      TYR  27  -6.794   1.916  -2.967
  198    HD2  TYR  27           2HD      TYR  27  -9.772  -0.882  -1.769
  199    HE1  TYR  27           1HE      TYR  27  -7.764   1.986  -5.225
  200    HE2  TYR  27           2HE      TYR  27 -10.749  -0.819  -4.026
  201    HH   TYR  27           HH       TYR  27  -9.211   0.281  -6.665
  202    H    TRP  28           H        TRP  28  -5.706   1.734   1.132
  203    HA   TRP  28           HA       TRP  28  -4.931  -0.389   3.002
  204   1HB   TRP  28          2HB       TRP  28  -3.328   2.160   2.653
  205   2HB   TRP  28          1HB       TRP  28  -2.920   0.779   3.654
  206    HD1  TRP  28           HD       TRP  28  -3.215   1.653  -0.121
  207    HE1  TRP  28           1HE      TRP  28  -1.482   0.240  -1.399
  208    HE3  TRP  28           3HE      TRP  28  -1.397  -1.129   3.764
  209    HZ2  TRP  28           2HZ      TRP  28   0.409  -1.769  -0.833
  210    HZ3  TRP  28           3HZ      TRP  28   0.376  -2.769   3.314
  211    HH2  TRP  28           HH       TRP  28   1.267  -3.075   1.064
  212    H    HIS  29           H        HIS  29  -4.721   0.554   5.248
  213    HA   HIS  29           HA       HIS  29  -6.835   2.527   5.754
  214   1HB   HIS  29          2HB       HIS  29  -5.190   0.761   7.591
  215   2HB   HIS  29          1HB       HIS  29  -6.248   2.029   8.188
  216    HD2  HIS  29           2HD      HIS  29  -9.029   1.554   7.708
  217    HE1  HIS  29           1HE      HIS  29  -8.411  -2.623   7.351
  218    HE2  HIS  29           2HE      HIS  29 -10.095  -0.803   7.934
  219    H    SER  30           H        SER  30  -4.821   2.807   8.249
  220    HA   SER  30           HA       SER  30  -3.211   4.938   7.018
  221   1HB   SER  30          2HB       SER  30  -4.518   4.659   9.686
  222   2HB   SER  30          1HB       SER  30  -3.009   5.569   9.591
  223    HG   SER  30           HG       SER  30  -5.476   6.079   8.290
  224    H    ARG  31           H        ARG  31  -3.195   2.251   9.316
  225    HA   ARG  31           HA       ARG  31  -0.323   2.525   9.687
  226   1HB   ARG  31          2HB       ARG  31  -2.311   2.066  11.438
  227   2HB   ARG  31          1HB       ARG  31  -1.833   0.407  11.106
  228   1HG   ARG  31          2HG       ARG  31   0.444   2.140  11.622
  229   2HG   ARG  31          1HG       ARG  31  -0.703   2.097  12.963
  230   1HD   ARG  31          2HD       ARG  31  -0.355  -0.551  11.976
  231   2HD   ARG  31          1HD       ARG  31   1.237   0.161  12.237
  232    HE   ARG  31           HE       ARG  31   0.729   0.407  14.529
  233   1HH1  ARG  31          2HH1      ARG  31  -1.798  -1.196  12.728
  234   2HH1  ARG  31          1HH1      ARG  31  -2.565  -1.875  14.127
  235   1HH2  ARG  31          2HH2      ARG  31  -0.265  -0.473  16.401
  236   2HH2  ARG  31          1HH2      ARG  31  -1.709  -1.437  16.232
  237    H    CYS  32           H        CYS  32  -2.104   0.828   7.487
  238    HA   CYS  32           HA       CYS  32  -0.843  -1.728   7.747
  239   1HB   CYS  32          2HB       CYS  32  -1.933  -1.126   5.118
  240   2HB   CYS  32          1HB       CYS  32  -2.398  -2.370   6.273
  241    H    LEU  33           H        LEU  33  -0.433   1.022   5.538
  242    HA   LEU  33           HA       LEU  33   1.950  -0.259   4.446
  243   1HB   LEU  33          2HB       LEU  33   1.611   0.891   2.562
  244   2HB   LEU  33          1HB       LEU  33   0.013   1.194   3.209
  245    HG   LEU  33           HG       LEU  33   1.815   3.198   4.184
  246   1HD1  LEU  33          1HD1      LEU  33   1.819   4.049   1.569
  247   2HD1  LEU  33          2HD1      LEU  33   3.212   3.420   2.451
  248   3HD1  LEU  33          3HD1      LEU  33   2.253   2.346   1.432
  249   1HD2  LEU  33          1HD2      LEU  33  -0.586   3.436   4.059
  250   2HD2  LEU  33          2HD2      LEU  33   0.191   4.666   3.060
  251   3HD2  LEU  33          3HD2      LEU  33  -0.536   3.248   2.303
  252    H    LYS  34           H        LYS  34   3.839   0.130   5.205
  253    HA   LYS  34           HA       LYS  34   4.724   2.671   6.196
  254   1HB   LYS  34          2HB       LYS  34   4.874   2.205   8.486
  255   2HB   LYS  34          1HB       LYS  34   3.294   1.562   8.066
  256   1HG   LYS  34          2HG       LYS  34   5.612  -0.290   7.953
  257   2HG   LYS  34          1HG       LYS  34   5.023   0.207   9.539
  258   1HD   LYS  34          2HD       LYS  34   3.373  -1.273   9.389
  259   2HD   LYS  34          1HD       LYS  34   2.771  -0.458   7.944
  260   1HE   LYS  34          2HE       LYS  34   4.129  -1.812   6.525
  261   2HE   LYS  34          1HE       LYS  34   4.986  -2.498   7.905
  262   1HZ   LYS  34          1HZ       LYS  34   2.981  -3.604   8.599
  263   2HZ   LYS  34          2HZ       LYS  34   3.304  -4.002   6.982
  264   3HZ   LYS  34          3HZ       LYS  34   2.091  -2.877   7.350
  265    H    CYS  35           H        CYS  35   6.992   2.443   7.031
  266    HA   CYS  35           HA       CYS  35   8.525   0.961   5.213
  267   1HB   CYS  35          2HB       CYS  35   9.320   3.001   6.366
  268   2HB   CYS  35          1HB       CYS  35   9.386   2.097   7.879
  269    H    SER  36           H        SER  36   9.651  -0.939   5.422
  270    HA   SER  36           HA       SER  36   8.547  -2.911   7.139
  271   1HB   SER  36          2HB       SER  36  11.176  -3.467   5.911
  272   2HB   SER  36          1HB       SER  36   9.673  -4.390   5.835
  273    HG   SER  36           HG       SER  36   9.005  -2.427   4.464
  274    H    SER  37           H        SER  37  11.195  -0.691   7.409
  275    HA   SER  37           HA       SER  37  12.155  -2.114   9.795
  276   1HB   SER  37          2HB       SER  37  13.692   0.172   8.688
  277   2HB   SER  37          1HB       SER  37  14.264  -1.337   9.397
  278    HG   SER  37           HG       SER  37  14.334  -0.852   6.929
  279    H    CYS  38           H        CYS  38  11.282   1.168   8.660
  280    HA   CYS  38           HA       CYS  38  11.587   2.334  11.252
  281   1HB   CYS  38          2HB       CYS  38  10.113   3.318   8.802
  282   2HB   CYS  38          1HB       CYS  38  10.338   4.266  10.267
  283    H    GLN  39           H        GLN  39   8.898   1.041   9.406
  284    HA   GLN  39           HA       GLN  39   6.785   0.439   9.945
  285   1HB   GLN  39          2HB       GLN  39   7.923   0.461  12.743
  286   2HB   GLN  39          1HB       GLN  39   6.316  -0.123  12.339
  287   1HG   GLN  39          2HG       GLN  39   8.768  -1.240  11.031
  288   2HG   GLN  39          1HG       GLN  39   8.182  -1.841  12.583
  289   1HE2  GLN  39          1HE2      GLN  39   8.349  -2.953   9.767
  290   2HE2  GLN  39          2HE2      GLN  39   6.766  -3.597   9.475
  291    H    ALA  40           H        ALA  40   7.613   3.282   9.842
  292    HA   ALA  40           HA       ALA  40   5.595   4.510  11.540
  293   1HB   ALA  40          1HB       ALA  40   6.749   6.489  11.415
  294   2HB   ALA  40          2HB       ALA  40   8.081   5.334  11.305
  295   3HB   ALA  40          3HB       ALA  40   7.456   6.101   9.843
  296    H    GLN  41           H        GLN  41   4.220   6.030  10.585
  297    HA   GLN  41           HA       GLN  41   2.860   5.082   8.318
  298   1HB   GLN  41          2HB       GLN  41   2.262   6.802  10.348
  299   2HB   GLN  41          1HB       GLN  41   2.445   7.922   9.003
  300   1HG   GLN  41          2HG       GLN  41   0.901   6.127   7.811
  301   2HG   GLN  41          1HG       GLN  41   0.407   5.829   9.476
  302   1HE2  GLN  41          1HE2      GLN  41  -0.556   7.327   6.858
  303   2HE2  GLN  41          2HE2      GLN  41  -1.314   8.741   7.524
  304    H    LEU  42           H        LEU  42   3.874   5.017   6.409
  305    HA   LEU  42           HA       LEU  42   5.781   6.915   5.555
  306   1HB   LEU  42          2HB       LEU  42   4.461   4.529   4.398
  307   2HB   LEU  42          1HB       LEU  42   5.145   5.668   3.254
  308    HG   LEU  42           HG       LEU  42   6.519   3.924   5.248
  309   1HD1  LEU  42          1HD1      LEU  42   7.540   4.702   2.562
  310   2HD1  LEU  42          2HD1      LEU  42   7.724   3.187   3.445
  311   3HD1  LEU  42          3HD1      LEU  42   6.184   3.580   2.681
  312   1HD2  LEU  42          1HD2      LEU  42   7.622   5.776   5.986
  313   2HD2  LEU  42          2HD2      LEU  42   8.586   5.430   4.550
  314   3HD2  LEU  42          3HD2      LEU  42   7.340   6.676   4.495
  315    H    GLY  43           H        GLY  43   2.530   7.310   5.776
  316   1HA   GLY  43          1HA       GLY  43   2.450   9.137   3.460
  317   2HA   GLY  43          2HA       GLY  43   1.028   8.428   4.215
  318    H    ASP  44           H        ASP  44   3.248   9.252   6.559
  319    HA   ASP  44           HA       ASP  44   1.775  11.741   7.124
  320   1HB   ASP  44          2HB       ASP  44   1.438   9.948   8.773
  321   2HB   ASP  44          1HB       ASP  44   3.177   9.868   9.044
  322    H    ILE  45           H        ILE  45   4.948  10.271   7.805
  323    HA   ILE  45           HA       ILE  45   6.173  12.862   8.137
  324    HB   ILE  45           HB       ILE  45   8.301  11.358   8.269
  325   1HG1  ILE  45          2HG1      ILE  45   6.495   9.191   9.152
  326   1HG2  ILE  45          1HG2      ILE  45   7.794  10.855  10.625
  327   2HG2  ILE  45          2HG2      ILE  45   7.329  12.494  10.167
  328   3HG2  ILE  45          3HG2      ILE  45   6.098  11.240  10.323
  329   1HD1  ILE  45          1HD1      ILE  45   9.233   9.487   8.345
  330   2HD1  ILE  45          2HD1      ILE  45   8.444   8.152   9.188
  331   3HD1  ILE  45          3HD1      ILE  45   8.445   8.207   7.425
  332    H    GLY  46           H        GLY  46   5.156  12.825   5.664
  333   1HA   GLY  46          1HA       GLY  46   6.127  13.687   3.637
  334   2HA   GLY  46          2HA       GLY  46   7.541  12.682   3.938
  335    H    THR  47           H        THR  47   4.704  12.940   2.195
  336    HA   THR  47           HA       THR  47   3.971  10.187   2.170
  337    HB   THR  47           HB       THR  47   2.991  11.581  -0.143
  338    HG1  THR  47           1HG      THR  47   2.234  13.435   0.762
  339   1HG2  THR  47          1HG2      THR  47   0.871  11.448   1.467
  340   2HG2  THR  47          2HG2      THR  47   1.926  10.331   2.334
  341   3HG2  THR  47          3HG2      THR  47   1.512  10.025   0.646
  342    H    SER  48           H        SER  48   5.356   8.757   1.390
  343    HA   SER  48           HA       SER  48   5.983   8.776  -1.422
  344   1HB   SER  48          2HB       SER  48   8.497   8.181  -0.312
  345   2HB   SER  48          1HB       SER  48   8.069   9.616  -1.244
  346    HG   SER  48           HG       SER  48   7.281   9.775   1.372
  347    H    SER  49           H        SER  49   6.869   6.662  -2.093
  348    HA   SER  49           HA       SER  49   6.735   4.549  -0.098
  349   1HB   SER  49          2HB       SER  49   5.183   3.450  -2.076
  350   2HB   SER  49          1HB       SER  49   4.555   4.170  -0.592
  351    HG   SER  49           HG       SER  49   4.030   5.973  -1.661
  352    H    TYR  50           H        TYR  50   7.547   2.536  -0.843
  353    HA   TYR  50           HA       TYR  50   8.898   2.575  -3.434
  354   1HB   TYR  50          2HB       TYR  50  10.153   2.355  -0.749
  355   2HB   TYR  50          1HB       TYR  50  10.772   1.297  -2.015
  356    HD1  TYR  50           1HD      TYR  50  11.497   4.188  -0.436
  357    HD2  TYR  50           2HD      TYR  50  10.848   2.775  -4.393
  358    HE1  TYR  50           1HE      TYR  50  12.865   6.026  -1.309
  359    HE2  TYR  50           2HE      TYR  50  12.218   4.615  -5.277
  360    HH   TYR  50           HH       TYR  50  13.103   6.690  -4.726
  361    H    THR  51           H        THR  51   7.824   1.007  -4.416
  362    HA   THR  51           HA       THR  51   7.112  -1.406  -2.932
  363    HB   THR  51           HB       THR  51   6.313  -1.167  -5.759
  364    HG1  THR  51           1HG      THR  51   6.100   1.007  -5.065
  365   1HG2  THR  51          1HG2      THR  51   5.592  -2.824  -3.838
  366   2HG2  THR  51          2HG2      THR  51   4.431  -2.290  -5.055
  367   3HG2  THR  51          3HG2      THR  51   4.448  -1.535  -3.461
  368    H    LYS  52           H        LYS  52   8.790  -2.758  -2.865
  369    HA   LYS  52           HA       LYS  52   9.614  -3.990  -5.333
  370   1HB   LYS  52          2HB       LYS  52  11.276  -1.998  -4.137
  371   2HB   LYS  52          1HB       LYS  52  12.055  -3.562  -3.926
  372   1HG   LYS  52          2HG       LYS  52  12.403  -3.851  -6.155
  373   2HG   LYS  52          1HG       LYS  52  10.975  -2.920  -6.612
  374   1HD   LYS  52          2HD       LYS  52  12.138  -0.854  -5.948
  375   2HD   LYS  52          1HD       LYS  52  13.576  -1.803  -5.565
  376   1HE   LYS  52          2HE       LYS  52  13.982  -2.318  -7.790
  377   2HE   LYS  52          1HE       LYS  52  12.323  -1.972  -8.275
  378   1HZ   LYS  52          1HZ       LYS  52  12.696   0.301  -8.238
  379   2HZ   LYS  52          2HZ       LYS  52  14.150  -0.304  -8.873
  380   3HZ   LYS  52          3HZ       LYS  52  14.073   0.173  -7.248
  381    H    SER  53           H        SER  53  10.131  -6.108  -5.027
  382    HA   SER  53           HA       SER  53  10.304  -8.131  -3.995
  383   1HB   SER  53          2HB       SER  53  11.298  -6.546  -1.614
  384   2HB   SER  53          1HB       SER  53  11.512  -8.278  -1.881
  385    HG   SER  53           HG       SER  53  12.384  -6.709  -3.970
  386    H    GLY  54           H        GLY  54   7.854  -6.490  -3.797
  387   1HA   GLY  54          1HA       GLY  54   5.770  -6.687  -2.838
  388   2HA   GLY  54          2HA       GLY  54   6.357  -8.132  -2.026
  389    H    MET  55           H        MET  55   8.183  -5.293  -1.545
  390    HA   MET  55           HA       MET  55   7.061  -5.054   1.163
  391   1HB   MET  55          2HB       MET  55   9.781  -5.338   0.176
  392   2HB   MET  55          1HB       MET  55   9.606  -3.917   1.194
  393   1HG   MET  55          2HG       MET  55   8.690  -5.305   2.978
  394   2HG   MET  55          1HG       MET  55   8.857  -6.729   1.958
  395   1HE   MET  55          1HE       MET  55  12.694  -5.318   1.278
  396   2HE   MET  55          2HE       MET  55  12.280  -7.019   1.088
  397   3HE   MET  55          3HE       MET  55  11.223  -5.774   0.418
  398    H    ILE  56           H        ILE  56   7.624  -2.891   2.160
  399    HA   ILE  56           HA       ILE  56   7.510  -0.685   0.249
  400    HB   ILE  56           HB       ILE  56   5.417  -1.364   2.270
  401   1HG1  ILE  56          2HG1      ILE  56   4.414   0.256   0.213
  402   1HG2  ILE  56          1HG2      ILE  56   6.481   0.840   2.970
  403   2HG2  ILE  56          2HG2      ILE  56   5.822   1.502   1.474
  404   3HG2  ILE  56          3HG2      ILE  56   4.738   0.838   2.697
  405   1HD1  ILE  56          1HD1      ILE  56   3.642  -2.033   1.266
  406   2HD1  ILE  56          2HD1      ILE  56   3.108  -1.510  -0.330
  407   3HD1  ILE  56          3HD1      ILE  56   4.422  -2.675  -0.178
  408    H    LEU  57           H        LEU  57   9.155   0.583   0.729
  409    HA   LEU  57           HA       LEU  57  10.032   0.799   3.538
  410   1HB   LEU  57          2HB       LEU  57  11.771   0.682   1.070
  411   2HB   LEU  57          1HB       LEU  57  12.345   0.893   2.712
  412    HG   LEU  57           HG       LEU  57  10.732  -1.492   2.498
  413   1HD1  LEU  57          1HD1      LEU  57  13.083  -2.259   1.125
  414   2HD1  LEU  57          2HD1      LEU  57  11.409  -2.393   0.591
  415   3HD1  LEU  57          3HD1      LEU  57  12.340  -0.942   0.218
  416   1HD2  LEU  57          1HD2      LEU  57  13.656  -1.513   3.008
  417   2HD2  LEU  57          2HD2      LEU  57  12.620  -0.643   4.138
  418   3HD2  LEU  57          3HD2      LEU  57  12.355  -2.360   3.841
  419    H    CYS  58           H        CYS  58  11.539   2.688   3.860
  420    HA   CYS  58           HA       CYS  58  10.376   5.063   2.649
  421   1HB   CYS  58          2HB       CYS  58  11.551   6.302   4.367
  422   2HB   CYS  58          1HB       CYS  58  10.719   4.945   5.114
  423    H    ARG  59           H        ARG  59  12.217   6.875   2.371
  424    HA   ARG  59           HA       ARG  59  13.709   6.132   0.095
  425   1HB   ARG  59          2HB       ARG  59  13.044   8.516   1.356
  426   2HB   ARG  59          1HB       ARG  59  14.792   8.445   1.511
  427   1HG   ARG  59          2HG       ARG  59  13.113   8.659  -0.938
  428   2HG   ARG  59          1HG       ARG  59  14.550   9.570  -0.473
  429   1HD   ARG  59          2HD       ARG  59  15.190   6.786  -0.757
  430   2HD   ARG  59          1HD       ARG  59  14.380   7.368  -2.209
  431    HE   ARG  59           HE       ARG  59  16.632   8.917  -1.152
  432   1HH1  ARG  59          2HH1      ARG  59  15.294   6.820  -3.621
  433   2HH1  ARG  59          1HH1      ARG  59  16.631   7.036  -4.714
  434   1HH2  ARG  59          2HH2      ARG  59  18.371   9.259  -2.623
  435   2HH2  ARG  59          1HH2      ARG  59  18.353   8.466  -4.170
  436    H    ASN  60           H        ASN  60  14.723   6.753   3.440
  437    HA   ASN  60           HA       ASN  60  17.465   6.222   3.013
  438   1HB   ASN  60          2HB       ASN  60  16.867   7.478   4.949
  439   2HB   ASN  60          1HB       ASN  60  15.749   6.235   5.500
  440   1HD2  ASN  60          1HD2      ASN  60  16.491   5.392   7.301
  441   2HD2  ASN  60          2HD2      ASN  60  18.128   4.921   7.610
  442    H    ASP  61           H        ASP  61  14.806   4.172   4.179
  443    HA   ASP  61           HA       ASP  61  16.495   1.950   4.700
  444   1HB   ASP  61          2HB       ASP  61  13.623   2.507   4.803
  445   2HB   ASP  61          1HB       ASP  61  14.012   0.836   4.391
  446    H    TYR  62           H        TYR  62  14.718   2.990   1.878
  447    HA   TYR  62           HA       TYR  62  14.902   0.609   0.376
  448   1HB   TYR  62          2HB       TYR  62  13.474   2.450  -0.346
  449   2HB   TYR  62          1HB       TYR  62  14.876   3.497  -0.538
  450    HD1  TYR  62           1HD      TYR  62  16.414   3.188  -2.419
  451    HD2  TYR  62           2HD      TYR  62  12.932   0.786  -2.000
  452    HE1  TYR  62           1HE      TYR  62  16.671   2.432  -4.739
  453    HE2  TYR  62           2HE      TYR  62  13.164   0.030  -4.325
  454    HH   TYR  62           HH       TYR  62  15.912   1.089  -6.325
  455    H    ILE  63           H        ILE  63  17.126   3.287   0.899
  456    HA   ILE  63           HA       ILE  63  19.057   2.468  -1.006
  457    HB   ILE  63           HB       ILE  63  19.404   4.208   1.441
  458   1HG1  ILE  63          2HG1      ILE  63  17.857   5.330   0.086
  459   1HG2  ILE  63          1HG2      ILE  63  21.569   4.311   0.985
  460   2HG2  ILE  63          2HG2      ILE  63  21.350   3.126  -0.303
  461   3HG2  ILE  63          3HG2      ILE  63  21.215   4.850  -0.656
  462   1HD1  ILE  63          1HD1      ILE  63  19.107   3.893  -2.130
  463   2HD1  ILE  63          2HD1      ILE  63  17.450   4.468  -1.928
  464   3HD1  ILE  63          3HD1      ILE  63  18.704   5.575  -2.486
  465    H    ARG  64           H        ARG  64  18.368   1.538   2.254
  466    HA   ARG  64           HA       ARG  64  20.871   0.139   2.642
  467   1HB   ARG  64          2HB       ARG  64  18.376   0.547   4.219
  468   2HB   ARG  64          1HB       ARG  64  19.349  -0.872   4.579
  469   1HG   ARG  64          2HG       ARG  64  20.793   0.339   5.738
  470   2HG   ARG  64          1HG       ARG  64  21.019   1.454   4.390
  471   1HD   ARG  64          2HD       ARG  64  20.183   2.526   6.478
  472   2HD   ARG  64          1HD       ARG  64  19.148   2.771   5.073
  473    HE   ARG  64           HE       ARG  64  17.539   1.369   6.029
  474   1HH1  ARG  64          2HH1      ARG  64  20.404   1.560   8.034
  475   2HH1  ARG  64          1HH1      ARG  64  19.591   0.987   9.457
  476   1HH2  ARG  64          2HH2      ARG  64  16.488   0.548   7.869
  477   2HH2  ARG  64          1HH2      ARG  64  17.381   0.383   9.363
  478    H    LEU  65           H        LEU  65  17.651  -0.518   1.507
  479    HA   LEU  65           HA       LEU  65  17.889  -3.367   1.650
  480   1HB   LEU  65          2HB       LEU  65  15.830  -1.484   1.168
  481   2HB   LEU  65          1HB       LEU  65  15.895  -2.539  -0.232
  482    HG   LEU  65           HG       LEU  65  14.281  -3.316   1.454
  483   1HD1  LEU  65          1HD1      LEU  65  15.235  -5.649   1.710
  484   2HD1  LEU  65          2HD1      LEU  65  15.129  -5.017   0.068
  485   3HD1  LEU  65          3HD1      LEU  65  16.681  -5.038   0.905
  486   1HD2  LEU  65          1HD2      LEU  65  14.980  -4.110   3.602
  487   2HD2  LEU  65          2HD2      LEU  65  16.671  -3.776   3.228
  488   3HD2  LEU  65          3HD2      LEU  65  15.529  -2.444   3.418
  489    H    PHE  66           H        PHE  66  17.823  -1.051  -1.077
  490    HA   PHE  66           HA       PHE  66  19.265  -3.087  -2.655
  491   1HB   PHE  66          2HB       PHE  66  17.423  -1.014  -3.848
  492   2HB   PHE  66          1HB       PHE  66  18.079  -2.456  -4.616
  493    HD1  PHE  66           1HD      PHE  66  17.267  -4.704  -3.869
  494    HD2  PHE  66           2HD      PHE  66  15.394  -1.078  -2.676
  495    HE1  PHE  66           1HE      PHE  66  15.247  -5.960  -3.246
  496    HE2  PHE  66           2HE      PHE  66  13.368  -2.325  -2.054
  497    HZ   PHE  66           HZ       PHE  66  13.291  -4.769  -2.338
  498    H    GLY  67           H        GLY  67  18.725   0.399  -2.196
  499   1HA   GLY  67          1HA       GLY  67  20.672   1.793  -1.873
  500   2HA   GLY  67          2HA       GLY  67  21.524   0.794  -3.036
  501    H    ASN  68           H        ASN  68  22.026   3.002  -3.828
  502    HA   ASN  68           HA       ASN  68  20.587   3.587  -6.192
  503   1HB   ASN  68          2HB       ASN  68  19.344   4.726  -4.054
  504   2HB   ASN  68          1HB       ASN  68  20.508   5.984  -4.449
  505   1HD2  ASN  68          1HD2      ASN  68  20.373   5.200  -7.354
  506   2HD2  ASN  68          2HD2      ASN  68  18.895   5.901  -7.913
  507    H    SER  69           H        SER  69  22.441   3.761  -7.341
  508    HA   SER  69           HA       SER  69  24.826   4.782  -6.192
  509   1HB   SER  69          2HB       SER  69  24.977   4.589  -9.059
  510   2HB   SER  69          1HB       SER  69  25.727   3.561  -7.834
  511    HG   SER  69           HG       SER  69  24.042   2.667  -9.423
  512    H    GLY  70           H        GLY  70  22.208   6.407  -7.388
  513   1HA   GLY  70          1HA       GLY  70  22.701   8.909  -7.077
  514   2HA   GLY  70          2HA       GLY  70  23.817   8.646  -8.409
  515    H    ALA  71           H        ALA  71  22.837   9.959  -9.870
  516    HA   ALA  71           HA       ALA  71  20.507   8.877 -11.192
  517   1HB   ALA  71          1HB       ALA  71  20.330  11.732 -10.276
  518   2HB   ALA  71          2HB       ALA  71  19.059  10.706 -10.941
  519   3HB   ALA  71          3HB       ALA  71  19.677  10.403  -9.318
  520    H    GLY  72           H        GLY  72  20.178   9.788 -13.293
  521   1HA   GLY  72          1HA       GLY  72  20.772  11.279 -15.063
  522   2HA   GLY  72          2HA       GLY  72  22.264  11.647 -14.212
  523    H    GLY  73           H        GLY  73  21.043   8.399 -14.695
  524   1HA   GLY  73          1HA       GLY  73  22.027   7.485 -16.989
  525   2HA   GLY  73          2HA       GLY  73  23.516   7.733 -16.086
  526    H    SER  74           H        SER  74  22.696   5.236 -17.031
  527    HA   SER  74           HA       SER  74  21.499   3.808 -14.807
  528   1HB   SER  74          2HB       SER  74  22.530   2.075 -16.849
  529   2HB   SER  74          1HB       SER  74  20.848   2.421 -16.443
  530    HG   SER  74           HG       SER  74  20.978   4.268 -17.795
  531    H    GLY  75           H        GLY  75  22.528   1.819 -13.978
  532   1HA   GLY  75          1HA       GLY  75  24.350   0.569 -13.252
  533   2HA   GLY  75          2HA       GLY  75  25.409   1.600 -14.202
  534    H    GLY  76           H        GLY  76  26.595   3.078 -13.184
  535   1HA   GLY  76          1HA       GLY  76  26.764   4.813 -11.497
  536   2HA   GLY  76          2HA       GLY  76  25.840   3.775 -10.421
  537    H    HIS  77           H        HIS  77  28.111   4.823  -9.478
  538    HA   HIS  77           HA       HIS  77  29.776   2.451  -9.149
  539   1HB   HIS  77          2HB       HIS  77  30.583   4.651 -10.764
  540   2HB   HIS  77          1HB       HIS  77  31.551   4.688  -9.294
  541    HD1  HIS  77           1HD      HIS  77  33.309   4.132 -11.451
  542    HD2  HIS  77           2HD      HIS  77  30.942   1.079  -9.905
  543    HE1  HIS  77           1HE      HIS  77  34.419   1.985 -12.155
  544    HE2  HIS  77           2HE      HIS  77  33.085   0.163 -11.035
  545    H    MET  78           H        MET  78  28.877   5.702  -8.166
  546    HA   MET  78           HA       MET  78  28.977   4.992  -5.402
  547   1HB   MET  78          2HB       MET  78  31.378   5.426  -5.797
  548   2HB   MET  78          1HB       MET  78  30.986   7.038  -6.378
  549   1HG   MET  78          2HG       MET  78  31.785   7.139  -4.104
  550   2HG   MET  78          1HG       MET  78  30.086   7.603  -4.170
  551   1HE   MET  78          1HE       MET  78  32.138   3.980  -2.571
  552   2HE   MET  78          2HE       MET  78  32.770   5.520  -3.156
  553   3HE   MET  78          3HE       MET  78  32.198   5.377  -1.496
  554    H    GLY  79           H        GLY  79  27.287   5.982  -4.558
  555   1HA   GLY  79          1HA       GLY  79  26.774   8.782  -5.157
  556   2HA   GLY  79          2HA       GLY  79  25.527   7.653  -5.668
  557    H    SER  80           H        SER  80  23.896   7.565  -4.285
  558    HA   SER  80           HA       SER  80  24.126   8.523  -1.613
  559   1HB   SER  80          2HB       SER  80  21.709   7.011  -2.119
  560   2HB   SER  80          1HB       SER  80  21.904   8.743  -1.839
  561    HG   SER  80           HG       SER  80  21.710   9.074  -3.905
  562    H    GLY  81           H        GLY  81  23.638   5.317  -3.064
  563   1HA   GLY  81          1HA       GLY  81  24.937   4.068  -0.812
  564   2HA   GLY  81          2HA       GLY  81  23.215   3.724  -0.908
  565    H    GLY  82           H        GLY  82  25.279   1.791  -1.109
  566   1HA   GLY  82          1HA       GLY  82  24.818  -0.133  -2.628
  567   2HA   GLY  82          2HA       GLY  82  25.003   1.016  -3.950
  568    H    ASP  83           H        ASP  83  26.774   0.254  -4.970
  569    HA   ASP  83           HA       ASP  83  29.330   0.736  -3.830
  570   1HB   ASP  83          2HB       ASP  83  28.360  -1.682  -3.037
  571   2HB   ASP  83          1HB       ASP  83  29.167  -2.131  -4.536
  572    H    VAL  84           H        VAL  84  30.880  -0.922  -5.406
  573    HA   VAL  84           HA       VAL  84  30.620   0.296  -7.977
  574    HB   VAL  84           HB       VAL  84  32.481  -1.424  -8.554
  575   1HG1  VAL  84          1HG1      VAL  84  32.522   1.117  -7.684
  576   2HG1  VAL  84          2HG1      VAL  84  33.452   0.338  -6.405
  577   3HG1  VAL  84          3HG1      VAL  84  33.973   0.198  -8.084
  578   1HG2  VAL  84          1HG2      VAL  84  32.285  -1.714  -5.564
  579   2HG2  VAL  84          2HG2      VAL  84  32.224  -2.986  -6.783
  580   3HG2  VAL  84          3HG2      VAL  84  33.730  -2.121  -6.485
  581    H    MET  85           H        MET  85  29.323  -2.521  -6.572
  582    HA   MET  85           HA       MET  85  28.569  -3.524  -9.235
  583   1HB   MET  85          2HB       MET  85  30.122  -5.026  -7.932
  584   2HB   MET  85          1HB       MET  85  28.839  -5.213  -6.744
  585   1HG   MET  85          2HG       MET  85  28.561  -7.080  -8.053
  586   2HG   MET  85          1HG       MET  85  27.409  -5.954  -8.768
  587   1HE   MET  85          1HE       MET  85  27.438  -5.578 -11.531
  588   2HE   MET  85          2HE       MET  85  28.139  -7.058 -12.184
  589   3HE   MET  85          3HE       MET  85  27.086  -7.132 -10.773
  590    H    VAL  86           H        VAL  86  26.679  -2.289  -9.264
  591    HA   VAL  86           HA       VAL  86  24.651  -3.069  -7.273
  592    HB   VAL  86           HB       VAL  86  23.461  -1.008  -8.569
  593   1HG1  VAL  86          1HG1      VAL  86  24.417  -1.556  -6.027
  594   2HG1  VAL  86          2HG1      VAL  86  25.138   0.004  -6.431
  595   3HG1  VAL  86          3HG1      VAL  86  23.386  -0.200  -6.493
  596   1HG2  VAL  86          1HG2      VAL  86  24.909   0.215  -9.735
  597   2HG2  VAL  86          2HG2      VAL  86  25.728   0.595  -8.222
  598   3HG2  VAL  86          3HG2      VAL  86  26.261  -0.775  -9.192
  599    H    VAL  87           H        VAL  87  25.301  -2.619 -10.704
  600    HA   VAL  87           HA       VAL  87  23.334  -4.677 -11.316
  601    HB   VAL  87           HB       VAL  87  22.808  -3.089 -13.427
  602   1HG1  VAL  87          1HG1      VAL  87  20.690  -3.136 -12.670
  603   2HG1  VAL  87          2HG1      VAL  87  21.372  -4.154 -11.401
  604   3HG1  VAL  87          3HG1      VAL  87  21.118  -2.434 -11.110
  605   1HG2  VAL  87          1HG2      VAL  87  22.234  -0.847 -11.983
  606   2HG2  VAL  87          2HG2      VAL  87  23.812  -1.300 -11.338
  607   3HG2  VAL  87          3HG2      VAL  87  23.611  -1.028 -13.070
  608    H    GLY  88           H        GLY  88  23.512  -5.183 -13.780
  609   1HA   GLY  88          1HA       GLY  88  26.187  -5.885 -14.347
  610   2HA   GLY  88          2HA       GLY  88  24.846  -5.956 -15.485
  611    H    GLU  89           H        GLU  89  27.789  -4.819 -15.257
  612    HA   GLU  89           HA       GLU  89  29.022  -3.238 -16.302
  613   1HB   GLU  89          2HB       GLU  89  26.407  -2.676 -17.696
  614   2HB   GLU  89          1HB       GLU  89  27.894  -1.812 -18.065
  615   1HG   GLU  89          2HG       GLU  89  27.888  -4.785 -18.126
  616   2HG   GLU  89          1HG       GLU  89  27.169  -3.889 -19.461
  617    HA   PRO  90           HA       PRO  90  27.884  -0.129 -13.218
  618   1HB   PRO  90          2HB       PRO  90  30.731   0.155 -12.786
  619   2HB   PRO  90          1HB       PRO  90  29.506  -0.485 -11.689
  620   1HG   PRO  90          2HG       PRO  90  31.457  -2.014 -12.833
  621   2HG   PRO  90          1HG       PRO  90  29.881  -2.648 -12.329
  622   1HD   PRO  90          2HD       PRO  90  30.834  -1.884 -15.061
  623   2HD   PRO  90          1HD       PRO  90  29.833  -3.265 -14.561
  624    H    THR  91           H        THR  91  27.456   0.912 -15.490
  625    HA   THR  91           HA       THR  91  29.364   2.618 -16.653
  626    HB   THR  91           HB       THR  91  26.428   3.245 -16.640
  627    HG1  THR  91           1HG      THR  91  27.748   1.081 -17.963
  628   1HG2  THR  91          1HG2      THR  91  26.801   4.116 -18.776
  629   2HG2  THR  91          2HG2      THR  91  28.292   3.202 -18.992
  630   3HG2  THR  91          3HG2      THR  91  28.257   4.579 -17.892
  631    H    LEU  92           H        LEU  92  30.274   4.398 -15.847
  632    HA   LEU  92           HA       LEU  92  29.249   5.550 -13.405
  633   1HB   LEU  92          2HB       LEU  92  31.342   7.150 -14.112
  634   2HB   LEU  92          1HB       LEU  92  31.465   5.701 -13.133
  635    HG   LEU  92           HG       LEU  92  31.612   5.192 -16.017
  636   1HD1  LEU  92          1HD1      LEU  92  34.137   6.289 -14.995
  637   2HD1  LEU  92          2HD1      LEU  92  33.415   6.397 -16.602
  638   3HD1  LEU  92          3HD1      LEU  92  32.874   7.479 -15.316
  639   1HD2  LEU  92          1HD2      LEU  92  32.233   3.351 -14.843
  640   2HD2  LEU  92          2HD2      LEU  92  33.815   4.117 -14.974
  641   3HD2  LEU  92          3HD2      LEU  92  32.874   4.288 -13.494
  642    H    MET  93           H        MET  93  27.289   6.041 -15.004
  643    HA   MET  93           HA       MET  93  27.660   8.725 -16.139
  644   1HB   MET  93          2HB       MET  93  26.222   6.423 -17.002
  645   2HB   MET  93          1HB       MET  93  25.057   7.700 -16.680
  646   1HG   MET  93          2HG       MET  93  27.238   7.586 -18.699
  647   2HG   MET  93          1HG       MET  93  25.557   8.079 -18.881
  648   1HE   MET  93          1HE       MET  93  28.791  10.841 -19.177
  649   2HE   MET  93          2HE       MET  93  29.256   9.439 -18.214
  650   3HE   MET  93          3HE       MET  93  28.464   9.214 -19.773
  651    H    GLY  94           H        GLY  94  25.655   6.883 -13.894
  652   1HA   GLY  94          1HA       GLY  94  25.140   9.258 -12.363
  653   2HA   GLY  94          2HA       GLY  94  23.707   8.648 -13.181
  654    H    GLY  95           H        GLY  95  23.108   6.396 -12.764
  655   1HA   GLY  95          1HA       GLY  95  23.757   4.439 -11.317
  656   2HA   GLY  95          2HA       GLY  95  23.868   5.620 -10.021
  657    H    GLU  96           H        GLU  96  21.440   5.274 -12.578
  658    HA   GLU  96           HA       GLU  96  19.254   5.709 -10.865
  659   1HB   GLU  96          2HB       GLU  96  19.683   5.009 -13.666
  660   2HB   GLU  96          1HB       GLU  96  18.247   4.245 -12.995
  661   1HG   GLU  96          2HG       GLU  96  17.159   6.132 -13.361
  662   2HG   GLU  96          1HG       GLU  96  18.145   6.881 -12.106
  663    H    PHE  97           H        PHE  97  18.456   4.440  -9.359
  664    HA   PHE  97           HA       PHE  97  18.458   1.539  -9.703
  665   1HB   PHE  97          2HB       PHE  97  20.595   2.565  -8.483
  666   2HB   PHE  97          1HB       PHE  97  19.504   2.538  -7.100
  667    HD1  PHE  97           1HD      PHE  97  20.066   0.208  -9.948
  668    HD2  PHE  97           2HD      PHE  97  20.002   0.779  -5.731
  669    HE1  PHE  97           1HE      PHE  97  20.560  -2.183  -9.626
  670    HE2  PHE  97           2HE      PHE  97  20.498  -1.612  -5.401
  671    HZ   PHE  97           HZ       PHE  97  20.775  -3.094  -7.348
  672    H    GLY  98           H        GLY  98  16.282   3.252  -9.728
  673   1HA   GLY  98          1HA       GLY  98  14.122   2.851  -8.843
  674   2HA   GLY  98          2HA       GLY  98  14.862   2.263  -7.361
  675    H    ASP  99           H        ASP  99  16.126   5.151  -8.631
  676    HA   ASP  99           HA       ASP  99  15.623   6.710  -6.380
  677   1HB   ASP  99          2HB       ASP  99  15.905   8.585  -8.349
  678   2HB   ASP  99          1HB       ASP  99  17.248   7.759  -7.560
  679    H    GLU 100           H        GLU 100  14.028   6.912  -9.562
  680    HA   GLU 100           HA       GLU 100  11.871   8.466  -8.371
  681   1HB   GLU 100          2HB       GLU 100  12.071   7.635 -11.260
  682   2HB   GLU 100          1HB       GLU 100  11.166   8.977 -10.575
  683   1HG   GLU 100          2HG       GLU 100  14.100   9.007 -10.197
  684   2HG   GLU 100          1HG       GLU 100  13.494   9.285 -11.829
  685    H    ASP 101           H        ASP 101  12.113   5.738  -7.553
  686    HA   ASP 101           HA       ASP 101   9.946   4.311  -8.890
  687   1HB   ASP 101          2HB       ASP 101  12.178   3.386  -7.674
  688   2HB   ASP 101          1HB       ASP 101  11.050   3.295  -6.328
  689    H    GLU 102           H        GLU 102  10.296   6.621  -6.508
  690    HA   GLU 102           HA       GLU 102   8.204   5.744  -4.750
  691   1HB   GLU 102          2HB       GLU 102   8.472   8.310  -4.059
  692   2HB   GLU 102          1HB       GLU 102   9.589   7.064  -3.526
  693   1HG   GLU 102          2HG       GLU 102  10.944   8.823  -4.231
  694   2HG   GLU 102          1HG       GLU 102  10.985   7.666  -5.560
  695    H    ARG 103           H        ARG 103   7.034   8.450  -4.457
  696    HA   ARG 103           HA       ARG 103   5.099   9.473  -5.056
  697   1HB   ARG 103          2HB       ARG 103   6.897   9.816  -7.119
  698   2HB   ARG 103          1HB       ARG 103   5.467   9.220  -7.950
  699   1HG   ARG 103          2HG       ARG 103   5.118  11.483  -8.003
  700   2HG   ARG 103          1HG       ARG 103   4.232  11.028  -6.546
  701   1HD   ARG 103          2HD       ARG 103   5.672  13.058  -6.298
  702   2HD   ARG 103          1HD       ARG 103   6.010  11.772  -5.141
  703    HE   ARG 103           HE       ARG 103   8.053  11.350  -6.206
  704   1HH1  ARG 103          2HH1      ARG 103   6.268  13.937  -7.767
  705   2HH1  ARG 103          1HH1      ARG 103   7.636  14.491  -8.691
  706   1HH2  ARG 103          2HH2      ARG 103   9.846  12.082  -7.403
  707   2HH2  ARG 103          1HH2      ARG 103   9.674  13.435  -8.477
  708    H    LEU 104           H        LEU 104   4.802   6.821  -4.516
  709    HA   LEU 104           HA       LEU 104   3.006   5.790  -6.594
  710   1HB   LEU 104          2HB       LEU 104   5.112   4.556  -5.538
  711   2HB   LEU 104          1HB       LEU 104   3.948   4.128  -4.302
  712    HG   LEU 104           HG       LEU 104   4.454   2.637  -6.498
  713   1HD1  LEU 104          1HD1      LEU 104   3.225   1.938  -4.521
  714   2HD1  LEU 104          2HD1      LEU 104   1.815   2.846  -5.066
  715   3HD1  LEU 104          3HD1      LEU 104   2.386   1.460  -5.998
  716   1HD2  LEU 104          1HD2      LEU 104   2.867   4.765  -7.484
  717   2HD2  LEU 104          2HD2      LEU 104   3.403   3.311  -8.328
  718   3HD2  LEU 104          3HD2      LEU 104   1.867   3.313  -7.462
  719    H    ILE 105           H        ILE 105   2.936   7.381  -3.680
  720    HA   ILE 105           HA       ILE 105   0.705   5.946  -2.542
  721    HB   ILE 105           HB       ILE 105   2.369   8.272  -1.683
  722   1HG1  ILE 105          2HG1      ILE 105   1.395   5.750  -0.325
  723   1HG2  ILE 105          1HG2      ILE 105  -0.470   8.124  -1.201
  724   2HG2  ILE 105          2HG2      ILE 105   0.434   8.016   0.309
  725   3HG2  ILE 105          3HG2      ILE 105   0.679   9.388  -0.769
  726   1HD1  ILE 105          1HD1      ILE 105   3.648   7.430   0.676
  727   2HD1  ILE 105          2HD1      ILE 105   1.986   7.775   1.166
  728   3HD1  ILE 105          3HD1      ILE 105   2.703   6.200   1.519
  729    H    THR 106           H        THR 106  -1.313   6.241  -3.022
  730    HA   THR 106           HA       THR 106  -2.219   8.796  -4.164
  731    HB   THR 106           HB       THR 106  -4.138   6.568  -3.719
  732    HG1  THR 106           1HG      THR 106  -2.417   5.423  -4.620
  733   1HG2  THR 106          1HG2      THR 106  -4.959   8.597  -4.708
  734   2HG2  THR 106          2HG2      THR 106  -4.942   7.351  -5.956
  735   3HG2  THR 106          3HG2      THR 106  -3.678   8.581  -5.921
  736    H    ARG 107           H        ARG 107  -2.558  10.181  -2.615
  737    HA   ARG 107           HA       ARG 107  -2.566   9.403   0.045
  738   1HB   ARG 107          2HB       ARG 107  -2.100  11.563   0.494
  739   2HB   ARG 107          1HB       ARG 107  -1.886  11.647  -1.247
  740   1HG   ARG 107          2HG       ARG 107  -4.580  12.195  -0.106
  741   2HG   ARG 107          1HG       ARG 107  -3.321  13.423   0.032
  742   1HD   ARG 107          2HD       ARG 107  -2.989  13.279  -2.421
  743   2HD   ARG 107          1HD       ARG 107  -4.358  12.168  -2.504
  744    HE   ARG 107           HE       ARG 107  -4.438  15.034  -2.080
  745   1HH1  ARG 107          2HH1      ARG 107  -6.181  11.996  -1.913
  746   2HH1  ARG 107          1HH1      ARG 107  -7.748  12.743  -1.858
  747   1HH2  ARG 107          2HH2      ARG 107  -6.500  16.028  -2.034
  748   2HH2  ARG 107          1HH2      ARG 107  -7.925  15.034  -1.964
  749    H    LEU 108           H        LEU 108  -3.752  10.177   1.700
  750    HA   LEU 108           HA       LEU 108  -6.256   9.012   1.787
  751   1HB   LEU 108          2HB       LEU 108  -6.280  10.268   4.099
  752   2HB   LEU 108          1HB       LEU 108  -5.313   8.843   3.807
  753    HG   LEU 108           HG       LEU 108  -4.228  10.738   5.103
  754   1HD1  LEU 108          1HD1      LEU 108  -2.689   9.183   4.511
  755   2HD1  LEU 108          2HD1      LEU 108  -3.050   9.309   2.789
  756   3HD1  LEU 108          3HD1      LEU 108  -2.085  10.553   3.583
  757   1HD2  LEU 108          1HD2      LEU 108  -3.297  12.108   2.737
  758   2HD2  LEU 108          2HD2      LEU 108  -5.040  12.277   2.948
  759   3HD2  LEU 108          3HD2      LEU 108  -3.944  12.760   4.244
  760    H    GLU 109           H        GLU 109  -7.637  10.619   3.514
  761    HA   GLU 109           HA       GLU 109  -9.561  11.441   1.842
  762   1HB   GLU 109          2HB       GLU 109 -10.681  12.241   3.715
  763   2HB   GLU 109          1HB       GLU 109  -9.568  11.045   4.363
  764   1HG   GLU 109          2HG       GLU 109  -8.826  13.944   4.270
  765   2HG   GLU 109          1HG       GLU 109  -9.837  13.313   5.565
  766    H    ASN 110           H        ASN 110 -10.543  13.365   1.371
  767    HA   ASN 110           HA       ASN 110  -8.967  15.449   0.316
  768   1HB   ASN 110          2HB       ASN 110 -11.739  14.714   0.426
  769   2HB   ASN 110          1HB       ASN 110 -11.582  16.426   0.829
  770   1HD2  ASN 110          1HD2      ASN 110 -11.821  14.206  -1.634
  771   2HD2  ASN 110          2HD2      ASN 110 -11.319  15.226  -2.956
  772    H    THR 111           H        THR 111 -10.359  14.889   3.414
  773    HA   THR 111           HA       THR 111 -10.339  17.547   4.391
  774    HB   THR 111           HB       THR 111 -10.190  15.122   6.153
  775    HG1  THR 111           1HG      THR 111 -12.495  16.011   4.706
  776   1HG2  THR 111          1HG2      THR 111 -10.802  17.862   6.522
  777   2HG2  THR 111          2HG2      THR 111 -10.889  16.560   7.708
  778   3HG2  THR 111          3HG2      THR 111 -12.302  16.960   6.733
  779    H    GLN 112           H        GLN 112  -7.753  15.766   3.499
  780    HA   GLN 112           HA       GLN 112  -5.977  16.309   5.698
  781   1HB   GLN 112          2HB       GLN 112  -4.286  15.343   4.414
  782   2HB   GLN 112          1HB       GLN 112  -5.722  14.489   3.875
  783   1HG   GLN 112          2HG       GLN 112  -5.504  15.218   1.788
  784   2HG   GLN 112          1HG       GLN 112  -5.177  16.872   2.302
  785   1HE2  GLN 112          1HE2      GLN 112  -3.011  15.034   3.920
  786   2HE2  GLN 112          2HE2      GLN 112  -1.682  15.095   2.806
  787    H    PHE 113           H        PHE 113  -7.290  18.052   3.092
  788    HA   PHE 113           HA       PHE 113  -5.229  20.115   3.128
  789   1HB   PHE 113          2HB       PHE 113  -7.237  19.260   1.256
  790   2HB   PHE 113          1HB       PHE 113  -7.495  20.959   1.639
  791    HD1  PHE 113           1HD      PHE 113  -4.436  18.871   1.184
  792    HD2  PHE 113           2HD      PHE 113  -6.667  22.286  -0.025
  793    HE1  PHE 113           1HE      PHE 113  -2.638  19.489  -0.375
  794    HE2  PHE 113           2HE      PHE 113  -4.872  22.910  -1.589
  795    HZ   PHE 113           HZ       PHE 113  -2.853  21.510  -1.764
  796    H    ASP 114           H        ASP 114  -8.756  20.375   3.148
  797    HA   ASP 114           HA       ASP 114  -8.573  22.057   5.558
  798   1HB   ASP 114          2HB       ASP 114  -9.434  23.029   3.207
  799   2HB   ASP 114          1HB       ASP 114 -10.946  22.325   3.776
  800    H    ALA 115           H        ALA 115 -10.765  22.019   6.756
  801    HA   ALA 115           HA       ALA 115 -11.375  19.234   7.253
  802   1HB   ALA 115          1HB       ALA 115 -12.178  19.885   9.267
  803   2HB   ALA 115          2HB       ALA 115 -11.150  21.279   8.934
  804   3HB   ALA 115          3HB       ALA 115 -12.886  21.372   8.635
  805    H    ALA 116           H        ALA 116 -12.172  19.644   4.777
  806    HA   ALA 116           HA       ALA 116 -15.077  20.088   4.848
  807   1HB   ALA 116          1HB       ALA 116 -14.056  21.378   3.136
  808   2HB   ALA 116          2HB       ALA 116 -13.121  19.996   2.563
  809   3HB   ALA 116          3HB       ALA 116 -14.871  20.028   2.342
  810    H    ASN 117           H        ASN 117 -16.482  18.530   3.949
  811    HA   ASN 117           HA       ASN 117 -15.500  15.790   4.178
  812   1HB   ASN 117          2HB       ASN 117 -17.696  16.459   5.201
  813   2HB   ASN 117          1HB       ASN 117 -18.317  16.727   3.574
  814   1HD2  ASN 117          1HD2      ASN 117 -16.387  14.189   5.158
  815   2HD2  ASN 117          2HD2      ASN 117 -17.376  12.870   4.621
  816    H    GLY 118           H        GLY 118 -14.615  14.909   2.467
  817   1HA   GLY 118          1HA       GLY 118 -14.778  16.032  -0.115
  818   2HA   GLY 118          2HA       GLY 118 -14.036  14.493   0.293
  819    H    ILE 119           H        ILE 119 -15.961  15.583  -1.849
  820    HA   ILE 119           HA       ILE 119 -17.906  13.376  -1.650
  821    HB   ILE 119           HB       ILE 119 -19.237  14.760  -3.353
  822   1HG1  ILE 119          2HG1      ILE 119 -18.485  17.305  -2.391
  823   1HG2  ILE 119          1HG2      ILE 119 -18.922  15.428  -0.451
  824   2HG2  ILE 119          2HG2      ILE 119 -20.117  16.253  -1.454
  825   3HG2  ILE 119          3HG2      ILE 119 -20.193  14.503  -1.252
  826   1HD1  ILE 119          1HD1      ILE 119 -17.747  17.667  -4.775
  827   2HD1  ILE 119          2HD1      ILE 119 -18.202  15.989  -5.066
  828   3HD1  ILE 119          3HD1      ILE 119 -19.416  17.153  -4.536
  829    H    ASP 120           H        ASP 120 -15.297  14.696  -3.406
  830    HA   ASP 120           HA       ASP 120 -15.901  13.489  -5.942
  831   1HB   ASP 120          2HB       ASP 120 -14.481  15.300  -6.213
  832   2HB   ASP 120          1HB       ASP 120 -13.574  14.939  -4.750
  833    H    ASP 121           H        ASP 121 -14.243  12.590  -3.035
  834    HA   ASP 121           HA       ASP 121 -13.180  10.127  -4.156
  835   1HB   ASP 121          2HB       ASP 121 -12.855   9.749  -1.526
  836   2HB   ASP 121          1HB       ASP 121 -11.731  10.710  -2.478
  837    H    GLU 122           H        GLU 122 -13.836   8.034  -3.178
  838    HA   GLU 122           HA       GLU 122 -16.748   8.012  -2.866
  839   1HB   GLU 122          2HB       GLU 122 -15.124   5.516  -3.147
  840   2HB   GLU 122          1HB       GLU 122 -16.761   5.848  -3.688
  841   1HG   GLU 122          2HG       GLU 122 -15.970   6.197  -5.720
  842   2HG   GLU 122          1HG       GLU 122 -15.112   7.611  -5.106
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -8.653  -9.609  -8.209
    2   2H    GLY   1          2H        GLY   1  -7.764  -8.227  -7.795
    3   3H    GLY   1          3H        GLY   1  -7.579  -8.927  -9.329
    4   1HA   GLY   1          2HA       GLY   1  -9.033  -7.419 -10.035
    5   2HA   GLY   1          1HA       GLY   1 -10.226  -8.466  -9.274
    6    H    SER   2           H        SER   2 -11.198  -6.136  -9.329
    7    HA   SER   2           HA       SER   2 -10.359  -4.611  -6.976
    8   1HB   SER   2          2HB       SER   2 -12.595  -3.730  -8.752
    9   2HB   SER   2          1HB       SER   2 -11.380  -2.765  -7.913
   10    HG   SER   2           HG       SER   2 -10.192  -2.838  -9.630
   11    H    LEU   3           H        LEU   3 -12.966  -6.554  -8.234
   12    HA   LEU   3           HA       LEU   3 -14.854  -7.415  -7.323
   13   1HB   LEU   3          2HB       LEU   3 -12.950  -7.207  -5.100
   14   2HB   LEU   3          1HB       LEU   3 -14.626  -7.262  -4.592
   15    HG   LEU   3           HG       LEU   3 -14.492  -9.314  -6.420
   16   1HD1  LEU   3          1HD1      LEU   3 -12.201  -9.440  -6.715
   17   2HD1  LEU   3          2HD1      LEU   3 -11.858  -9.009  -5.041
   18   3HD1  LEU   3          3HD1      LEU   3 -12.485 -10.611  -5.427
   19   1HD2  LEU   3          1HD2      LEU   3 -14.747  -8.964  -3.551
   20   2HD2  LEU   3          2HD2      LEU   3 -15.590 -10.070  -4.634
   21   3HD2  LEU   3          3HD2      LEU   3 -14.016 -10.511  -3.974
   22    H    SER   4           H        SER   4 -15.896  -6.572  -4.630
   23    HA   SER   4           HA       SER   4 -17.480  -4.372  -5.564
   24   1HB   SER   4          2HB       SER   4 -17.980  -4.757  -2.832
   25   2HB   SER   4          1HB       SER   4 -18.915  -5.415  -4.176
   26    HG   SER   4           HG       SER   4 -17.213  -6.681  -2.447
   27    H    TRP   5           H        TRP   5 -14.869  -4.882  -3.358
   28    HA   TRP   5           HA       TRP   5 -14.416  -2.013  -3.221
   29   1HB   TRP   5          2HB       TRP   5 -15.787  -3.182  -1.161
   30   2HB   TRP   5          1HB       TRP   5 -14.124  -3.322  -0.597
   31    HD1  TRP   5           HD       TRP   5 -15.926  -0.409  -2.419
   32    HE1  TRP   5           1HE      TRP   5 -15.538   1.747  -1.047
   33    HE3  TRP   5           3HE      TRP   5 -13.288  -2.396   1.494
   34    HZ2  TRP   5           2HZ      TRP   5 -14.282   2.489   1.366
   35    HZ3  TRP   5           3HZ      TRP   5 -12.535  -0.896   3.289
   36    HH2  TRP   5           HH       TRP   5 -13.020   1.497   3.226
   37    H    LYS   6           H        LYS   6 -12.367  -1.699  -3.699
   38    HA   LYS   6           HA       LYS   6 -10.407  -3.807  -3.411
   39   1HB   LYS   6          2HB       LYS   6  -8.864  -1.847  -4.223
   40   2HB   LYS   6          1HB       LYS   6  -9.956  -2.632  -5.352
   41   1HG   LYS   6          2HG       LYS   6 -10.988  -0.260  -3.917
   42   2HG   LYS   6          1HG       LYS   6  -9.745   0.015  -5.141
   43   1HD   LYS   6          2HD       LYS   6 -11.190  -1.399  -6.686
   44   2HD   LYS   6          1HD       LYS   6 -12.461  -1.238  -5.474
   45   1HE   LYS   6          2HE       LYS   6 -11.749   1.336  -5.705
   46   2HE   LYS   6          1HE       LYS   6 -11.337   0.780  -7.328
   47   1HZ   LYS   6          1HZ       LYS   6 -13.628  -0.143  -7.471
   48   2HZ   LYS   6          2HZ       LYS   6 -13.581   1.547  -7.341
   49   3HZ   LYS   6          3HZ       LYS   6 -13.984   0.606  -5.989
   50    H    ARG   7           H        ARG   7 -10.983  -3.774  -1.101
   51    HA   ARG   7           HA       ARG   7 -10.422  -1.663   0.613
   52   1HB   ARG   7          2HB       ARG   7 -10.938  -3.129   2.346
   53   2HB   ARG   7          1HB       ARG   7 -11.804  -3.799   0.977
   54   1HG   ARG   7          2HG       ARG   7  -9.237  -4.816   2.174
   55   2HG   ARG   7          1HG       ARG   7 -10.822  -5.581   2.235
   56   1HD   ARG   7          2HD       ARG   7 -10.190  -6.737   0.438
   57   2HD   ARG   7          1HD       ARG   7 -10.354  -5.232  -0.470
   58    HE   ARG   7           HE       ARG   7  -7.821  -5.359   0.786
   59   1HH1  ARG   7          2HH1      ARG   7  -9.619  -6.805  -1.851
   60   2HH1  ARG   7          1HH1      ARG   7  -8.226  -6.972  -2.880
   61   1HH2  ARG   7          2HH2      ARG   7  -5.995  -5.595  -0.560
   62   2HH2  ARG   7          1HH2      ARG   7  -6.169  -6.265  -2.155
   63    H    CYS   8           H        CYS   8  -8.893  -2.367   2.675
   64    HA   CYS   8           HA       CYS   8  -6.306  -1.689   1.934
   65   1HB   CYS   8          2HB       CYS   8  -7.426  -1.556   4.248
   66   2HB   CYS   8          1HB       CYS   8  -6.952  -3.237   4.436
   67    H    ALA   9           H        ALA   9  -4.416  -2.805   1.798
   68    HA   ALA   9           HA       ALA   9  -4.617  -5.733   1.540
   69   1HB   ALA   9          1HB       ALA   9  -2.642  -3.979   0.080
   70   2HB   ALA   9          2HB       ALA   9  -2.928  -5.705  -0.156
   71   3HB   ALA   9          3HB       ALA   9  -4.165  -4.534  -0.618
   72    H    GLY  10           H        GLY  10  -3.868  -3.563   3.655
   73   1HA   GLY  10          1HA       GLY  10  -1.161  -4.508   4.286
   74   2HA   GLY  10          2HA       GLY  10  -1.924  -3.068   4.934
   75    H    CYS  11           H        CYS  11  -4.434  -4.498   5.585
   76    HA   CYS  11           HA       CYS  11  -3.392  -6.069   7.840
   77   1HB   CYS  11          2HB       CYS  11  -5.294  -5.146   9.188
   78   2HB   CYS  11          1HB       CYS  11  -4.086  -3.955   8.720
   79    H    GLY  12           H        GLY  12  -6.693  -5.720   7.985
   80   1HA   GLY  12          1HA       GLY  12  -7.019  -8.519   7.207
   81   2HA   GLY  12          2HA       GLY  12  -8.118  -7.584   8.206
   82    H    GLY  13           H        GLY  13  -8.829  -5.455   6.723
   83   1HA   GLY  13          1HA       GLY  13  -9.372  -6.079   4.001
   84   2HA   GLY  13          2HA       GLY  13 -10.735  -6.513   5.017
   85    H    LYS  14           H        LYS  14 -12.152  -4.995   5.575
   86    HA   LYS  14           HA       LYS  14 -12.321  -2.692   4.093
   87   1HB   LYS  14          2HB       LYS  14 -14.041  -3.998   5.674
   88   2HB   LYS  14          1HB       LYS  14 -13.680  -2.637   6.728
   89   1HG   LYS  14          2HG       LYS  14 -14.258  -1.130   4.804
   90   2HG   LYS  14          1HG       LYS  14 -14.845  -2.562   3.956
   91   1HD   LYS  14          2HD       LYS  14 -16.734  -2.633   5.165
   92   2HD   LYS  14          1HD       LYS  14 -15.884  -2.308   6.677
   93   1HE   LYS  14          2HE       LYS  14 -15.764   0.086   6.036
   94   2HE   LYS  14          1HE       LYS  14 -16.735  -0.282   4.611
   95   1HZ   LYS  14          1HZ       LYS  14 -18.534  -0.989   6.031
   96   2HZ   LYS  14          2HZ       LYS  14 -18.073   0.588   6.453
   97   3HZ   LYS  14          3HZ       LYS  14 -17.597  -0.723   7.420
   98    H    ILE  15           H        ILE  15 -11.836  -0.615   4.308
   99    HA   ILE  15           HA       ILE  15  -9.884   0.110   6.331
  100    HB   ILE  15           HB       ILE  15 -10.835   1.831   4.046
  101   1HG1  ILE  15          2HG1      ILE  15  -8.673  -0.295   3.995
  102   1HG2  ILE  15          1HG2      ILE  15  -9.508   3.179   5.324
  103   2HG2  ILE  15          2HG2      ILE  15  -8.524   1.843   5.918
  104   3HG2  ILE  15          3HG2      ILE  15  -8.285   2.455   4.282
  105   1HD1  ILE  15          1HD1      ILE  15  -8.767   2.073   2.501
  106   2HD1  ILE  15          2HD1      ILE  15  -7.737   0.664   2.245
  107   3HD1  ILE  15          3HD1      ILE  15  -9.298   0.777   1.427
  108    H    ALA  16           H        ALA  16 -10.317   1.418   8.004
  109    HA   ALA  16           HA       ALA  16 -13.059   2.133   8.479
  110   1HB   ALA  16          1HB       ALA  16 -12.005   1.254  10.357
  111   2HB   ALA  16          2HB       ALA  16 -10.561   2.239  10.127
  112   3HB   ALA  16          3HB       ALA  16 -12.058   2.985  10.685
  113    H    ASP  17           H        ASP  17 -10.725   3.684   6.824
  114    HA   ASP  17           HA       ASP  17 -11.187   6.384   7.761
  115   1HB   ASP  17          2HB       ASP  17  -9.489   5.068   5.745
  116   2HB   ASP  17          1HB       ASP  17 -10.095   6.649   5.271
  117    H    ARG  18           H        ARG  18 -12.208   8.015   6.405
  118    HA   ARG  18           HA       ARG  18 -14.632   7.076   5.184
  119   1HB   ARG  18          2HB       ARG  18 -14.553   9.240   6.356
  120   2HB   ARG  18          1HB       ARG  18 -13.401   9.833   5.168
  121   1HG   ARG  18          2HG       ARG  18 -14.989   9.971   3.497
  122   2HG   ARG  18          1HG       ARG  18 -16.066   8.820   4.287
  123   1HD   ARG  18          2HD       ARG  18 -16.634  11.361   4.300
  124   2HD   ARG  18          1HD       ARG  18 -16.897  10.389   5.747
  125    HE   ARG  18           HE       ARG  18 -14.666  12.263   5.323
  126   1HH1  ARG  18          2HH1      ARG  18 -16.632  10.292   7.453
  127   2HH1  ARG  18          1HH1      ARG  18 -16.028  11.051   8.904
  128   1HH2  ARG  18          2HH2      ARG  18 -13.851  13.229   7.197
  129   2HH2  ARG  18          1HH2      ARG  18 -14.444  12.741   8.764
  130    H    PHE  19           H        PHE  19 -11.494   8.069   4.244
  131    HA   PHE  19           HA       PHE  19 -12.072   7.301   1.465
  132   1HB   PHE  19          2HB       PHE  19 -10.432   9.530   2.591
  133   2HB   PHE  19          1HB       PHE  19  -9.947   8.815   1.059
  134    HD1  PHE  19           1HD      PHE  19 -13.204   9.753   2.585
  135    HD2  PHE  19           2HD      PHE  19 -10.568  10.106  -0.732
  136    HE1  PHE  19           1HE      PHE  19 -14.849  11.153   1.439
  137    HE2  PHE  19           2HE      PHE  19 -12.220  11.512  -1.893
  138    HZ   PHE  19           HZ       PHE  19 -14.364  12.035  -0.802
  139    H    LEU  20           H        LEU  20  -9.162   7.336   0.894
  140    HA   LEU  20           HA       LEU  20  -7.984   5.563   2.790
  141   1HB   LEU  20          2HB       LEU  20  -7.618   3.698   1.116
  142   2HB   LEU  20          1HB       LEU  20  -9.191   3.817   1.861
  143    HG   LEU  20           HG       LEU  20  -8.772   3.346  -0.762
  144   1HD1  LEU  20          1HD1      LEU  20 -11.029   3.411  -0.978
  145   2HD1  LEU  20          2HD1      LEU  20 -10.874   3.391   0.780
  146   3HD1  LEU  20          3HD1      LEU  20 -11.194   4.910  -0.059
  147   1HD2  LEU  20          1HD2      LEU  20  -8.035   5.261  -1.703
  148   2HD2  LEU  20          2HD2      LEU  20  -9.767   5.586  -1.767
  149   3HD2  LEU  20          3HD2      LEU  20  -8.785   6.289  -0.483
  150    H    LEU  21           H        LEU  21  -5.979   4.468   1.652
  151    HA   LEU  21           HA       LEU  21  -4.556   6.559   0.137
  152   1HB   LEU  21          2HB       LEU  21  -3.773   5.341   2.462
  153   2HB   LEU  21          1HB       LEU  21  -3.028   4.304   1.260
  154    HG   LEU  21           HG       LEU  21  -2.639   7.242   0.988
  155   1HD1  LEU  21          1HD1      LEU  21  -1.999   7.334   3.156
  156   2HD1  LEU  21          2HD1      LEU  21  -1.696   5.601   3.257
  157   3HD1  LEU  21          3HD1      LEU  21  -0.512   6.660   2.493
  158   1HD2  LEU  21          1HD2      LEU  21  -0.377   5.425   0.761
  159   2HD2  LEU  21          2HD2      LEU  21  -1.713   5.012  -0.317
  160   3HD2  LEU  21          3HD2      LEU  21  -0.994   6.623  -0.380
  161    H    TYR  22           H        TYR  22  -3.356   5.771  -1.726
  162    HA   TYR  22           HA       TYR  22  -4.368   3.166  -2.683
  163   1HB   TYR  22          2HB       TYR  22  -3.517   5.353  -4.563
  164   2HB   TYR  22          1HB       TYR  22  -4.499   3.945  -4.899
  165    HD1  TYR  22           1HD      TYR  22  -4.739   6.894  -2.580
  166    HD2  TYR  22           2HD      TYR  22  -6.658   4.414  -5.448
  167    HE1  TYR  22           1HE      TYR  22  -6.759   8.277  -2.419
  168    HE2  TYR  22           2HE      TYR  22  -8.686   5.791  -5.292
  169    HH   TYR  22           HH       TYR  22  -9.065   8.420  -4.563
  170    H    ALA  23           H        ALA  23  -2.861   1.679  -3.130
  171    HA   ALA  23           HA       ALA  23  -0.266   2.494  -4.099
  172   1HB   ALA  23          1HB       ALA  23  -0.630   1.271  -1.391
  173   2HB   ALA  23          2HB       ALA  23   0.851   1.005  -2.313
  174   3HB   ALA  23          3HB       ALA  23   0.370   2.645  -1.870
  175    H    MET  24           H        MET  24   0.477   1.075  -5.536
  176    HA   MET  24           HA       MET  24   0.641  -0.731  -6.887
  177   1HB   MET  24          2HB       MET  24   0.337  -1.884  -4.189
  178   2HB   MET  24          1HB       MET  24  -0.038  -2.981  -5.514
  179   1HG   MET  24          2HG       MET  24   2.165  -2.521  -6.497
  180   2HG   MET  24          1HG       MET  24   2.537  -1.466  -5.132
  181   1HE   MET  24          1HE       MET  24   3.518  -4.444  -6.597
  182   2HE   MET  24          2HE       MET  24   4.713  -3.638  -5.579
  183   3HE   MET  24          3HE       MET  24   4.250  -5.306  -5.243
  184    H    ASP  25           H        ASP  25  -1.740   0.710  -6.945
  185    HA   ASP  25           HA       ASP  25  -3.793   0.679  -7.902
  186   1HB   ASP  25          2HB       ASP  25  -2.571  -1.809  -8.849
  187   2HB   ASP  25          1HB       ASP  25  -4.332  -1.842  -8.846
  188    H    SER  26           H        SER  26  -3.157  -0.680  -5.126
  189    HA   SER  26           HA       SER  26  -5.922  -1.613  -4.687
  190   1HB   SER  26          2HB       SER  26  -4.016  -2.317  -2.584
  191   2HB   SER  26          1HB       SER  26  -5.169  -3.342  -3.440
  192    HG   SER  26           HG       SER  26  -3.212  -2.682  -5.125
  193    H    TYR  27           H        TYR  27  -6.701  -1.034  -2.424
  194    HA   TYR  27           HA       TYR  27  -5.662   1.629  -1.754
  195   1HB   TYR  27          2HB       TYR  27  -8.350   0.410  -1.097
  196   2HB   TYR  27          1HB       TYR  27  -7.824   2.025  -0.635
  197    HD1  TYR  27           1HD      TYR  27  -6.358   1.874  -3.668
  198    HD2  TYR  27           2HD      TYR  27 -10.291   1.864  -2.028
  199    HE1  TYR  27           1HE      TYR  27  -7.250   2.707  -5.794
  200    HE2  TYR  27           2HE      TYR  27 -11.183   2.715  -4.156
  201    HH   TYR  27           HH       TYR  27  -9.137   2.995  -7.013
  202    H    TRP  28           H        TRP  28  -5.250   2.163   0.375
  203    HA   TRP  28           HA       TRP  28  -4.812  -0.133   2.176
  204   1HB   TRP  28          2HB       TRP  28  -2.869   2.008   1.300
  205   2HB   TRP  28          1HB       TRP  28  -2.596   0.999   2.712
  206    HD1  TRP  28           HD       TRP  28  -3.257   0.425  -1.083
  207    HE1  TRP  28           1HE      TRP  28  -1.748  -1.511  -1.848
  208    HE3  TRP  28           3HE      TRP  28  -1.102  -0.738   3.404
  209    HZ2  TRP  28           2HZ      TRP  28   0.114  -3.308  -0.693
  210    HZ3  TRP  28           3HZ      TRP  28   0.534  -2.572   3.490
  211    HH2  TRP  28           HH       TRP  28   1.129  -3.829   1.483
  212    H    HIS  29           H        HIS  29  -3.896   0.704   4.295
  213    HA   HIS  29           HA       HIS  29  -5.486   2.940   5.333
  214   1HB   HIS  29          2HB       HIS  29  -3.990   0.654   6.519
  215   2HB   HIS  29          1HB       HIS  29  -4.015   2.145   7.444
  216    HD2  HIS  29           2HD      HIS  29  -6.863   3.060   7.783
  217    HE1  HIS  29           1HE      HIS  29  -7.976  -1.001   8.221
  218    HE2  HIS  29           2HE      HIS  29  -8.472   1.383   8.945
  219    H    SER  30           H        SER  30  -4.102   4.366   6.900
  220    HA   SER  30           HA       SER  30  -1.873   5.434   5.413
  221   1HB   SER  30          2HB       SER  30  -1.796   6.679   7.857
  222   2HB   SER  30          1HB       SER  30  -2.767   7.222   6.484
  223    HG   SER  30           HG       SER  30  -3.576   6.270   8.872
  224    H    ARG  31           H        ARG  31  -2.367   3.742   8.486
  225    HA   ARG  31           HA       ARG  31   0.468   3.616   9.009
  226   1HB   ARG  31          2HB       ARG  31  -1.570   3.739  10.682
  227   2HB   ARG  31          1HB       ARG  31  -1.509   1.988  10.540
  228   1HG   ARG  31          2HG       ARG  31   1.080   2.465  11.013
  229   2HG   ARG  31          1HG       ARG  31   0.373   3.852  11.846
  230   1HD   ARG  31          2HD       ARG  31  -1.189   2.177  12.957
  231   2HD   ARG  31          1HD       ARG  31  -0.109   0.928  12.339
  232    HE   ARG  31           HE       ARG  31   0.392   2.758  14.516
  233   1HH1  ARG  31          2HH1      ARG  31   1.813   0.570  12.177
  234   2HH1  ARG  31          1HH1      ARG  31   3.282   0.354  13.075
  235   1HH2  ARG  31          2HH2      ARG  31   2.333   2.440  15.718
  236   2HH2  ARG  31          1HH2      ARG  31   3.569   1.391  15.080
  237    H    CYS  32           H        CYS  32  -1.763   1.672   7.295
  238    HA   CYS  32           HA       CYS  32  -0.321  -0.797   7.681
  239   1HB   CYS  32          2HB       CYS  32  -2.608   0.036   5.922
  240   2HB   CYS  32          1HB       CYS  32  -1.798  -1.511   5.680
  241    H    LEU  33           H        LEU  33  -0.074   1.952   5.688
  242    HA   LEU  33           HA       LEU  33   1.652   0.617   3.748
  243   1HB   LEU  33          2HB       LEU  33   0.023   2.883   3.629
  244   2HB   LEU  33          1HB       LEU  33   1.665   3.502   3.614
  245    HG   LEU  33           HG       LEU  33   1.299   1.248   1.800
  246   1HD1  LEU  33          1HD1      LEU  33  -0.181   2.176   0.280
  247   2HD1  LEU  33          2HD1      LEU  33  -0.955   2.465   1.838
  248   3HD1  LEU  33          3HD1      LEU  33  -0.099   3.773   1.025
  249   1HD2  LEU  33          1HD2      LEU  33   2.696   2.464   0.440
  250   2HD2  LEU  33          2HD2      LEU  33   2.076   4.017   1.004
  251   3HD2  LEU  33          3HD2      LEU  33   3.159   3.074   2.029
  252    H    LYS  34           H        LYS  34   2.224   0.838   6.628
  253    HA   LYS  34           HA       LYS  34   4.327   2.699   7.045
  254   1HB   LYS  34          2HB       LYS  34   4.584   1.695   9.130
  255   2HB   LYS  34          1HB       LYS  34   2.896   1.370   8.770
  256   1HG   LYS  34          2HG       LYS  34   5.126  -0.595   8.283
  257   2HG   LYS  34          1HG       LYS  34   4.150  -0.550   9.751
  258   1HD   LYS  34          2HD       LYS  34   2.437  -1.600   8.763
  259   2HD   LYS  34          1HD       LYS  34   2.534  -0.581   7.322
  260   1HE   LYS  34          2HE       LYS  34   4.787  -2.367   7.436
  261   2HE   LYS  34          1HE       LYS  34   3.281  -3.277   7.571
  262   1HZ   LYS  34          1HZ       LYS  34   2.543  -1.862   5.587
  263   2HZ   LYS  34          2HZ       LYS  34   3.633  -3.129   5.295
  264   3HZ   LYS  34          3HZ       LYS  34   4.192  -1.529   5.375
  265    H    CYS  35           H        CYS  35   6.564   1.994   7.549
  266    HA   CYS  35           HA       CYS  35   7.762   0.621   5.377
  267   1HB   CYS  35          2HB       CYS  35   8.867   2.375   6.779
  268   2HB   CYS  35          1HB       CYS  35   8.914   1.223   8.112
  269    H    SER  36           H        SER  36   8.416  -1.478   5.211
  270    HA   SER  36           HA       SER  36   7.336  -3.383   7.089
  271   1HB   SER  36          2HB       SER  36   9.085  -3.745   4.640
  272   2HB   SER  36          1HB       SER  36   8.386  -5.068   5.578
  273    HG   SER  36           HG       SER  36   6.321  -4.309   5.030
  274    H    SER  37           H        SER  37   9.980  -1.432   7.073
  275    HA   SER  37           HA       SER  37  11.586  -3.332   8.637
  276   1HB   SER  37          2HB       SER  37  13.019  -0.950   7.831
  277   2HB   SER  37          1HB       SER  37  13.393  -2.644   7.505
  278    HG   SER  37           HG       SER  37  11.697  -0.902   6.027
  279    H    CYS  38           H        CYS  38  10.467   0.048   8.485
  280    HA   CYS  38           HA       CYS  38  11.416   0.568  11.184
  281   1HB   CYS  38          2HB       CYS  38   9.818   2.251   9.243
  282   2HB   CYS  38          1HB       CYS  38  10.320   2.797  10.838
  283    H    GLN  39           H        GLN  39   8.462  -0.216   9.531
  284    HA   GLN  39           HA       GLN  39   6.342  -0.661  10.187
  285   1HB   GLN  39          2HB       GLN  39   7.875  -1.246  12.622
  286   2HB   GLN  39          1HB       GLN  39   6.203  -0.787  12.915
  287   1HG   GLN  39          2HG       GLN  39   6.170  -3.114  12.736
  288   2HG   GLN  39          1HG       GLN  39   5.575  -2.531  11.186
  289   1HE2  GLN  39          1HE2      GLN  39   6.147  -4.184   9.907
  290   2HE2  GLN  39          2HE2      GLN  39   7.788  -4.689   9.646
  291    H    ALA  40           H        ALA  40   7.650   2.032  10.197
  292    HA   ALA  40           HA       ALA  40   5.847   3.506  11.930
  293   1HB   ALA  40          1HB       ALA  40   7.502   5.347  10.711
  294   2HB   ALA  40          2HB       ALA  40   7.697   4.686  12.334
  295   3HB   ALA  40          3HB       ALA  40   8.553   3.956  10.977
  296    H    GLN  41           H        GLN  41   4.447   4.887  11.148
  297    HA   GLN  41           HA       GLN  41   3.135   4.376   8.776
  298   1HB   GLN  41          2HB       GLN  41   2.630   5.881  10.992
  299   2HB   GLN  41          1HB       GLN  41   2.880   7.135   9.785
  300   1HG   GLN  41          2HG       GLN  41   1.220   5.266   8.564
  301   2HG   GLN  41          1HG       GLN  41   0.611   5.428  10.212
  302   1HE2  GLN  41          1HE2      GLN  41  -0.066   7.465  10.935
  303   2HE2  GLN  41          2HE2      GLN  41  -0.517   8.717   9.818
  304    H    LEU  42           H        LEU  42   3.973   4.594   6.790
  305    HA   LEU  42           HA       LEU  42   5.977   6.541   6.192
  306   1HB   LEU  42          2HB       LEU  42   4.840   4.213   4.925
  307   2HB   LEU  42          1HB       LEU  42   4.968   5.532   3.779
  308    HG   LEU  42           HG       LEU  42   7.299   5.617   3.933
  309   1HD1  LEU  42          1HD1      LEU  42   8.586   4.389   5.664
  310   2HD1  LEU  42          2HD1      LEU  42   7.576   5.684   6.314
  311   3HD1  LEU  42          3HD1      LEU  42   7.060   4.003   6.464
  312   1HD2  LEU  42          1HD2      LEU  42   6.372   2.767   4.139
  313   2HD2  LEU  42          2HD2      LEU  42   6.730   3.698   2.685
  314   3HD2  LEU  42          3HD2      LEU  42   8.039   3.207   3.764
  315    H    GLY  43           H        GLY  43   2.545   6.472   6.054
  316   1HA   GLY  43          1HA       GLY  43   2.194   8.545   4.105
  317   2HA   GLY  43          2HA       GLY  43   1.000   7.999   5.276
  318    H    ASP  44           H        ASP  44   2.931   8.438   7.488
  319    HA   ASP  44           HA       ASP  44   2.115  10.986   8.293
  320   1HB   ASP  44          2HB       ASP  44   2.672   9.466   9.999
  321   2HB   ASP  44          1HB       ASP  44   4.224   9.077   9.268
  322    H    ILE  45           H        ILE  45   4.946   9.944   6.532
  323    HA   ILE  45           HA       ILE  45   6.366  12.414   6.921
  324    HB   ILE  45           HB       ILE  45   8.100  11.538   5.609
  325   1HG1  ILE  45          2HG1      ILE  45   6.182   9.455   4.537
  326   1HG2  ILE  45          1HG2      ILE  45   8.535   9.367   6.567
  327   2HG2  ILE  45          2HG2      ILE  45   7.727  10.383   7.764
  328   3HG2  ILE  45          3HG2      ILE  45   6.819   9.136   6.907
  329   1HD1  ILE  45          1HD1      ILE  45   8.702   8.906   4.700
  330   2HD1  ILE  45          2HD1      ILE  45   7.844   8.623   3.185
  331   3HD1  ILE  45          3HD1      ILE  45   8.858  10.055   3.369
  332    H    GLY  46           H        GLY  46   3.803  11.484   4.986
  333   1HA   GLY  46          1HA       GLY  46   2.608  12.664   3.423
  334   2HA   GLY  46          2HA       GLY  46   3.682  14.015   3.743
  335    H    THR  47           H        THR  47   5.378  11.264   2.791
  336    HA   THR  47           HA       THR  47   5.464  12.219   0.009
  337    HB   THR  47           HB       THR  47   7.861  10.811   0.962
  338    HG1  THR  47           1HG      THR  47   6.925  13.166   2.224
  339   1HG2  THR  47          1HG2      THR  47   8.867  12.973  -0.052
  340   2HG2  THR  47          2HG2      THR  47   7.225  13.283  -0.615
  341   3HG2  THR  47          3HG2      THR  47   8.074  11.824  -1.131
  342    H    SER  48           H        SER  48   6.313  10.498  -1.512
  343    HA   SER  48           HA       SER  48   4.701   8.169  -1.169
  344   1HB   SER  48          2HB       SER  48   6.362   9.325  -3.337
  345   2HB   SER  48          1HB       SER  48   5.938   7.614  -3.421
  346    HG   SER  48           HG       SER  48   4.099   9.767  -3.099
  347    H    SER  49           H        SER  49   5.351   6.024  -1.277
  348    HA   SER  49           HA       SER  49   7.844   5.518   0.138
  349   1HB   SER  49          2HB       SER  49   6.658   3.188   0.309
  350   2HB   SER  49          1HB       SER  49   6.047   4.541   1.265
  351    HG   SER  49           HG       SER  49   4.361   3.470   0.171
  352    H    TYR  50           H        TYR  50   8.615   3.112  -0.420
  353    HA   TYR  50           HA       TYR  50   8.835   2.926  -3.351
  354   1HB   TYR  50          2HB       TYR  50  10.935   2.601  -1.233
  355   2HB   TYR  50          1HB       TYR  50  11.091   1.772  -2.779
  356    HD1  TYR  50           1HD      TYR  50  12.345   4.421  -1.150
  357    HD2  TYR  50           2HD      TYR  50  10.249   3.615  -4.768
  358    HE1  TYR  50           1HE      TYR  50  13.283   6.458  -2.138
  359    HE2  TYR  50           2HE      TYR  50  11.202   5.655  -5.771
  360    HH   TYR  50           HH       TYR  50  12.969   7.205  -5.506
  361    H    THR  51           H        THR  51   8.699   0.897  -4.253
  362    HA   THR  51           HA       THR  51   7.766  -1.205  -2.414
  363    HB   THR  51           HB       THR  51   6.845  -1.545  -5.123
  364    HG1  THR  51           1HG      THR  51   7.029   0.796  -5.082
  365   1HG2  THR  51          1HG2      THR  51   4.913  -0.842  -3.024
  366   2HG2  THR  51          2HG2      THR  51   5.987  -2.182  -2.622
  367   3HG2  THR  51          3HG2      THR  51   4.982  -2.258  -4.070
  368    H    LYS  52           H        LYS  52   9.168  -2.840  -2.299
  369    HA   LYS  52           HA       LYS  52   9.985  -4.149  -4.712
  370   1HB   LYS  52          2HB       LYS  52  11.824  -2.325  -3.547
  371   2HB   LYS  52          1HB       LYS  52  12.416  -3.947  -3.210
  372   1HG   LYS  52          2HG       LYS  52  12.486  -4.494  -5.522
  373   2HG   LYS  52          1HG       LYS  52  11.615  -3.021  -5.956
  374   1HD   LYS  52          2HD       LYS  52  13.639  -1.842  -4.787
  375   2HD   LYS  52          1HD       LYS  52  14.454  -3.371  -5.106
  376   1HE   LYS  52          2HE       LYS  52  14.908  -1.909  -6.937
  377   2HE   LYS  52          1HE       LYS  52  13.784  -3.146  -7.497
  378   1HZ   LYS  52          1HZ       LYS  52  12.090  -1.649  -7.697
  379   2HZ   LYS  52          2HZ       LYS  52  13.396  -0.618  -8.015
  380   3HZ   LYS  52          3HZ       LYS  52  12.680  -0.624  -6.483
  381    H    SER  53           H        SER  53  10.500  -6.298  -4.387
  382    HA   SER  53           HA       SER  53  10.490  -8.330  -3.369
  383   1HB   SER  53          2HB       SER  53  11.101  -6.847  -0.797
  384   2HB   SER  53          1HB       SER  53  11.369  -8.564  -1.122
  385    HG   SER  53           HG       SER  53  13.306  -7.387  -1.365
  386    H    GLY  54           H        GLY  54   8.136  -6.401  -3.381
  387   1HA   GLY  54          1HA       GLY  54   5.907  -6.580  -2.816
  388   2HA   GLY  54          2HA       GLY  54   6.280  -8.115  -2.046
  389    H    MET  55           H        MET  55   8.247  -5.616  -0.947
  390    HA   MET  55           HA       MET  55   6.589  -5.313   1.463
  391   1HB   MET  55          2HB       MET  55   8.453  -5.429   2.790
  392   2HB   MET  55          1HB       MET  55   8.981  -6.453   1.464
  393   1HG   MET  55          2HG       MET  55  10.196  -4.562   0.492
  394   2HG   MET  55          1HG       MET  55   9.675  -3.547   1.836
  395   1HE   MET  55          1HE       MET  55  12.474  -4.724   0.437
  396   2HE   MET  55          2HE       MET  55  13.506  -5.552   1.603
  397   3HE   MET  55          3HE       MET  55  12.243  -6.444   0.754
  398    H    ILE  56           H        ILE  56   7.067  -3.247   2.658
  399    HA   ILE  56           HA       ILE  56   7.099  -1.044   0.707
  400    HB   ILE  56           HB       ILE  56   6.130  -0.721   3.527
  401   1HG1  ILE  56          2HG1      ILE  56   4.996  -2.718   2.406
  402   1HG2  ILE  56          1HG2      ILE  56   5.422   0.621   0.922
  403   2HG2  ILE  56          2HG2      ILE  56   4.726   1.013   2.494
  404   3HG2  ILE  56          3HG2      ILE  56   6.445   1.281   2.198
  405   1HD1  ILE  56          1HD1      ILE  56   4.804  -1.745   0.139
  406   2HD1  ILE  56          2HD1      ILE  56   3.273  -2.320   0.801
  407   3HD1  ILE  56          3HD1      ILE  56   3.631  -0.594   0.779
  408    H    LEU  57           H        LEU  57   8.801   0.258   0.697
  409    HA   LEU  57           HA       LEU  57  10.598   0.215   3.032
  410   1HB   LEU  57          2HB       LEU  57  11.035   0.134   0.124
  411   2HB   LEU  57          1HB       LEU  57  12.073   1.260   0.972
  412    HG   LEU  57           HG       LEU  57  13.452  -0.429   1.383
  413   1HD1  LEU  57          1HD1      LEU  57  12.373  -0.480   3.559
  414   2HD1  LEU  57          2HD1      LEU  57  11.177  -1.627   2.957
  415   3HD1  LEU  57          3HD1      LEU  57  12.872  -2.101   3.075
  416   1HD2  LEU  57          1HD2      LEU  57  12.869  -1.708  -0.440
  417   2HD2  LEU  57          2HD2      LEU  57  12.631  -2.842   0.888
  418   3HD2  LEU  57          3HD2      LEU  57  11.243  -2.026   0.169
  419    H    CYS  58           H        CYS  58  11.368   2.106   3.863
  420    HA   CYS  58           HA       CYS  58  10.058   4.569   3.053
  421   1HB   CYS  58          2HB       CYS  58  11.272   5.594   4.928
  422   2HB   CYS  58          1HB       CYS  58  10.384   4.174   5.463
  423    H    ARG  59           H        ARG  59  11.571   6.485   2.638
  424    HA   ARG  59           HA       ARG  59  13.182   5.903   0.421
  425   1HB   ARG  59          2HB       ARG  59  12.140   8.127   0.922
  426   2HB   ARG  59          1HB       ARG  59  13.370   8.374   2.154
  427   1HG   ARG  59          2HG       ARG  59  14.469   9.417   0.505
  428   2HG   ARG  59          1HG       ARG  59  14.918   7.783   0.015
  429   1HD   ARG  59          2HD       ARG  59  14.131   8.790  -1.947
  430   2HD   ARG  59          1HD       ARG  59  12.782   7.803  -1.384
  431    HE   ARG  59           HE       ARG  59  12.361  10.279  -0.278
  432   1HH1  ARG  59          2HH1      ARG  59  12.648   8.978  -3.529
  433   2HH1  ARG  59          1HH1      ARG  59  11.706  10.252  -4.251
  434   1HH2  ARG  59          2HH2      ARG  59  11.127  11.924  -1.206
  435   2HH2  ARG  59          1HH2      ARG  59  10.858  11.950  -2.928
  436    H    ASN  60           H        ASN  60  13.993   6.519   3.791
  437    HA   ASN  60           HA       ASN  60  16.797   6.447   3.536
  438   1HB   ASN  60          2HB       ASN  60  16.377   7.266   5.585
  439   2HB   ASN  60          1HB       ASN  60  14.815   6.467   5.684
  440   1HD2  ASN  60          1HD2      ASN  60  14.609   4.686   6.895
  441   2HD2  ASN  60          2HD2      ASN  60  15.910   3.921   7.751
  442    H    ASP  61           H        ASP  61  14.480   3.870   4.405
  443    HA   ASP  61           HA       ASP  61  16.522   1.926   4.762
  444   1HB   ASP  61          2HB       ASP  61  13.555   1.896   4.714
  445   2HB   ASP  61          1HB       ASP  61  14.383   0.363   4.442
  446    H    TYR  62           H        TYR  62  14.525   2.855   2.058
  447    HA   TYR  62           HA       TYR  62  15.007   0.676   0.358
  448   1HB   TYR  62          2HB       TYR  62  13.350   2.483  -0.072
  449   2HB   TYR  62          1HB       TYR  62  14.678   3.584  -0.417
  450    HD1  TYR  62           1HD      TYR  62  15.503   3.768  -2.589
  451    HD2  TYR  62           2HD      TYR  62  13.167   0.373  -1.536
  452    HE1  TYR  62           1HE      TYR  62  15.431   3.098  -4.950
  453    HE2  TYR  62           2HE      TYR  62  13.090  -0.308  -3.894
  454    HH   TYR  62           HH       TYR  62  13.810   1.695  -6.410
  455    H    ILE  63           H        ILE  63  16.866   3.555   1.087
  456    HA   ILE  63           HA       ILE  63  18.857   3.235  -0.891
  457    HB   ILE  63           HB       ILE  63  18.829   4.723   1.732
  458   1HG1  ILE  63          2HG1      ILE  63  18.805   5.759  -1.104
  459   1HG2  ILE  63          1HG2      ILE  63  20.828   5.938   0.487
  460   2HG2  ILE  63          2HG2      ILE  63  21.097   4.552   1.544
  461   3HG2  ILE  63          3HG2      ILE  63  21.048   4.332  -0.206
  462   1HD1  ILE  63          1HD1      ILE  63  18.439   7.022   1.560
  463   2HD1  ILE  63          2HD1      ILE  63  19.314   7.599   0.140
  464   3HD1  ILE  63          3HD1      ILE  63  17.552   7.646   0.168
  465    H    ARG  64           H        ARG  64  18.621   2.148   2.472
  466    HA   ARG  64           HA       ARG  64  21.228   1.002   2.577
  467   1HB   ARG  64          2HB       ARG  64  18.910  -0.006   4.204
  468   2HB   ARG  64          1HB       ARG  64  20.609   0.073   4.641
  469   1HG   ARG  64          2HG       ARG  64  20.497   2.442   4.930
  470   2HG   ARG  64          1HG       ARG  64  18.860   2.492   4.271
  471   1HD   ARG  64          2HD       ARG  64  19.172   2.571   6.836
  472   2HD   ARG  64          1HD       ARG  64  17.931   1.512   6.165
  473    HE   ARG  64           HE       ARG  64  20.592   0.580   7.057
  474   1HH1  ARG  64          2HH1      ARG  64  17.112   0.169   6.841
  475   2HH1  ARG  64          1HH1      ARG  64  17.142  -1.463   7.463
  476   1HH2  ARG  64          2HH2      ARG  64  20.633  -1.549   7.882
  477   2HH2  ARG  64          1HH2      ARG  64  19.140  -2.445   8.029
  478    H    LEU  65           H        LEU  65  18.112  -0.092   1.486
  479    HA   LEU  65           HA       LEU  65  18.872  -2.859   1.408
  480   1HB   LEU  65          2HB       LEU  65  16.446  -1.294   1.105
  481   2HB   LEU  65          1HB       LEU  65  16.548  -2.568  -0.094
  482    HG   LEU  65           HG       LEU  65  15.306  -3.367   1.804
  483   1HD1  LEU  65          1HD1      LEU  65  16.675  -5.312   2.454
  484   2HD1  LEU  65          2HD1      LEU  65  16.687  -5.011   0.714
  485   3HD1  LEU  65          3HD1      LEU  65  18.075  -4.546   1.702
  486   1HD2  LEU  65          1HD2      LEU  65  16.036  -3.318   4.023
  487   2HD2  LEU  65          2HD2      LEU  65  17.700  -2.958   3.564
  488   3HD2  LEU  65          3HD2      LEU  65  16.451  -1.724   3.393
  489    H    PHE  66           H        PHE  66  17.856  -0.572  -1.157
  490    HA   PHE  66           HA       PHE  66  19.552  -2.085  -3.034
  491   1HB   PHE  66          2HB       PHE  66  16.893  -1.020  -3.921
  492   2HB   PHE  66          1HB       PHE  66  17.867  -2.300  -4.628
  493    HD1  PHE  66           1HD      PHE  66  18.014  -4.509  -3.416
  494    HD2  PHE  66           2HD      PHE  66  15.181  -1.497  -2.404
  495    HE1  PHE  66           1HE      PHE  66  16.635  -6.196  -2.275
  496    HE2  PHE  66           2HE      PHE  66  13.801  -3.179  -1.256
  497    HZ   PHE  66           HZ       PHE  66  14.527  -5.530  -1.188
  498    H    GLY  67           H        GLY  67  17.916   0.936  -2.288
  499   1HA   GLY  67          1HA       GLY  67  18.609   2.356  -4.607
  500   2HA   GLY  67          2HA       GLY  67  18.125   3.064  -3.081
  501    H    ASN  68           H        ASN  68  20.802   2.083  -5.083
  502    HA   ASN  68           HA       ASN  68  22.442   4.181  -4.274
  503   1HB   ASN  68          2HB       ASN  68  22.493   2.220  -2.319
  504   2HB   ASN  68          1HB       ASN  68  23.901   1.832  -3.303
  505   1HD2  ASN  68          1HD2      ASN  68  22.384   4.227  -1.290
  506   2HD2  ASN  68          2HD2      ASN  68  23.809   5.163  -0.985
  507    H    SER  69           H        SER  69  23.241   0.787  -4.767
  508    HA   SER  69           HA       SER  69  23.796   1.148  -7.563
  509   1HB   SER  69          2HB       SER  69  26.104   0.293  -5.803
  510   2HB   SER  69          1HB       SER  69  26.139   0.679  -7.522
  511    HG   SER  69           HG       SER  69  25.245   2.840  -6.498
  512    H    GLY  70           H        GLY  70  21.919  -0.379  -6.312
  513   1HA   GLY  70          1HA       GLY  70  23.071  -3.107  -6.299
  514   2HA   GLY  70          2HA       GLY  70  21.676  -2.612  -5.351
  515    H    ALA  71           H        ALA  71  19.862  -1.672  -6.790
  516    HA   ALA  71           HA       ALA  71  18.186  -2.122  -8.248
  517   1HB   ALA  71          1HB       ALA  71  19.338  -1.322 -10.061
  518   2HB   ALA  71          2HB       ALA  71  20.617  -2.529  -9.922
  519   3HB   ALA  71          3HB       ALA  71  19.043  -2.983 -10.580
  520    H    GLY  72           H        GLY  72  18.191  -4.252 -10.288
  521   1HA   GLY  72          1HA       GLY  72  17.545  -6.473  -8.506
  522   2HA   GLY  72          2HA       GLY  72  17.196  -6.377 -10.229
  523    H    GLY  73           H        GLY  73  19.735  -5.714 -11.164
  524   1HA   GLY  73          1HA       GLY  73  21.523  -7.808 -10.194
  525   2HA   GLY  73          2HA       GLY  73  21.039  -7.878 -11.884
  526    H    SER  74           H        SER  74  23.641  -7.688 -11.486
  527    HA   SER  74           HA       SER  74  25.532  -6.508 -11.873
  528   1HB   SER  74          2HB       SER  74  23.862  -4.385 -13.206
  529   2HB   SER  74          1HB       SER  74  25.493  -4.916 -13.608
  530    HG   SER  74           HG       SER  74  24.619  -6.257 -14.944
  531    H    GLY  75           H        GLY  75  24.107  -3.388 -12.014
  532   1HA   GLY  75          1HA       GLY  75  24.264  -2.897  -9.184
  533   2HA   GLY  75          2HA       GLY  75  25.541  -2.118 -10.107
  534    H    GLY  76           H        GLY  76  24.253  -0.314  -8.943
  535   1HA   GLY  76          1HA       GLY  76  21.936   0.537 -10.527
  536   2HA   GLY  76          2HA       GLY  76  22.457   1.241  -9.000
  537    H    HIS  77           H        HIS  77  21.891   2.438 -11.682
  538    HA   HIS  77           HA       HIS  77  24.215   4.161 -11.820
  539   1HB   HIS  77          2HB       HIS  77  24.508   3.694 -14.304
  540   2HB   HIS  77          1HB       HIS  77  25.076   2.429 -13.220
  541    HD1  HIS  77           1HD      HIS  77  24.134   0.118 -13.574
  542    HD2  HIS  77           2HD      HIS  77  21.979   3.064 -15.580
  543    HE1  HIS  77           1HE      HIS  77  22.403  -1.103 -14.931
  544    HE2  HIS  77           2HE      HIS  77  21.002   0.707 -15.991
  545    H    MET  78           H        MET  78  21.433   4.543 -11.213
  546    HA   MET  78           HA       MET  78  20.290   5.759 -13.600
  547   1HB   MET  78          2HB       MET  78  18.808   4.463 -12.166
  548   2HB   MET  78          1HB       MET  78  19.197   5.492 -10.795
  549   1HG   MET  78          2HG       MET  78  17.059   6.125 -11.635
  550   2HG   MET  78          1HG       MET  78  18.208   7.408 -12.007
  551   1HE   MET  78          1HE       MET  78  18.361   8.358 -14.762
  552   2HE   MET  78          2HE       MET  78  16.650   8.200 -15.154
  553   3HE   MET  78          3HE       MET  78  17.142   8.608 -13.512
  554    H    GLY  79           H        GLY  79  20.822   6.843 -10.246
  555   1HA   GLY  79          1HA       GLY  79  22.250   9.139 -10.816
  556   2HA   GLY  79          2HA       GLY  79  20.547   9.585 -10.874
  557    H    SER  80           H        SER  80  20.736  10.901  -9.081
  558    HA   SER  80           HA       SER  80  20.700  11.479  -6.881
  559   1HB   SER  80          2HB       SER  80  19.705   8.631  -6.615
  560   2HB   SER  80          1HB       SER  80  19.557   9.876  -5.375
  561    HG   SER  80           HG       SER  80  18.519  10.197  -7.997
  562    H    GLY  81           H        GLY  81  23.237  10.694  -7.763
  563   1HA   GLY  81          1HA       GLY  81  25.303  10.398  -6.770
  564   2HA   GLY  81          2HA       GLY  81  24.482  10.079  -5.248
  565    H    GLY  82           H        GLY  82  24.580   8.066  -4.495
  566   1HA   GLY  82          1HA       GLY  82  24.569   5.742  -4.529
  567   2HA   GLY  82          2HA       GLY  82  24.540   5.791  -6.286
  568    H    ASP  83           H        ASP  83  26.580   6.395  -7.359
  569    HA   ASP  83           HA       ASP  83  28.983   5.907  -5.773
  570   1HB   ASP  83          2HB       ASP  83  28.275   3.727  -6.846
  571   2HB   ASP  83          1HB       ASP  83  28.533   4.492  -8.411
  572    H    VAL  84           H        VAL  84  30.911   6.684  -6.788
  573    HA   VAL  84           HA       VAL  84  30.545   9.171  -8.095
  574    HB   VAL  84           HB       VAL  84  33.164   7.692  -8.043
  575   1HG1  VAL  84          1HG1      VAL  84  34.158   9.783  -8.133
  576   2HG1  VAL  84          2HG1      VAL  84  32.746   9.980  -9.172
  577   3HG1  VAL  84          3HG1      VAL  84  32.721  10.606  -7.523
  578   1HG2  VAL  84          1HG2      VAL  84  31.559   8.224  -5.772
  579   2HG2  VAL  84          2HG2      VAL  84  33.217   7.628  -5.823
  580   3HG2  VAL  84          3HG2      VAL  84  32.905   9.363  -5.748
  581    H    MET  85           H        MET  85  31.902   6.079  -9.196
  582    HA   MET  85           HA       MET  85  31.412   6.957 -11.966
  583   1HB   MET  85          2HB       MET  85  33.831   6.124 -10.744
  584   2HB   MET  85          1HB       MET  85  33.344   4.838 -11.838
  585   1HG   MET  85          2HG       MET  85  33.177   6.487 -13.656
  586   2HG   MET  85          1HG       MET  85  33.742   7.735 -12.547
  587   1HE   MET  85          1HE       MET  85  35.741   7.477 -11.145
  588   2HE   MET  85          2HE       MET  85  36.370   5.835 -10.995
  589   3HE   MET  85          3HE       MET  85  37.304   7.061 -11.850
  590    H    VAL  86           H        VAL  86  29.417   6.001 -12.249
  591    HA   VAL  86           HA       VAL  86  29.024   3.223 -11.498
  592    HB   VAL  86           HB       VAL  86  26.756   3.516 -12.518
  593   1HG1  VAL  86          1HG1      VAL  86  27.830   4.656 -10.128
  594   2HG1  VAL  86          2HG1      VAL  86  26.496   5.651 -10.711
  595   3HG1  VAL  86          3HG1      VAL  86  26.247   3.933 -10.407
  596   1HG2  VAL  86          1HG2      VAL  86  26.566   6.324 -12.545
  597   2HG2  VAL  86          2HG2      VAL  86  27.965   5.905 -13.533
  598   3HG2  VAL  86          3HG2      VAL  86  26.387   5.213 -13.903
  599    H    VAL  87           H        VAL  87  31.084   3.547 -13.335
  600    HA   VAL  87           HA       VAL  87  30.216   3.056 -16.010
  601    HB   VAL  87           HB       VAL  87  32.703   2.067 -16.074
  602   1HG1  VAL  87          1HG1      VAL  87  33.086   3.918 -17.258
  603   2HG1  VAL  87          2HG1      VAL  87  31.453   4.408 -16.814
  604   3HG1  VAL  87          3HG1      VAL  87  32.830   4.962 -15.862
  605   1HG2  VAL  87          1HG2      VAL  87  34.106   3.430 -14.510
  606   2HG2  VAL  87          2HG2      VAL  87  32.631   3.833 -13.634
  607   3HG2  VAL  87          3HG2      VAL  87  33.167   2.157 -13.731
  608    H    GLY  88           H        GLY  88  30.505   1.076 -17.194
  609   1HA   GLY  88          1HA       GLY  88  30.960  -1.336 -17.099
  610   2HA   GLY  88          2HA       GLY  88  30.262  -1.321 -15.486
  611    H    GLU  89           H        GLU  89  28.068   0.426 -16.134
  612    HA   GLU  89           HA       GLU  89  26.551  -1.215 -18.046
  613   1HB   GLU  89          2HB       GLU  89  25.334  -0.083 -15.533
  614   2HB   GLU  89          1HB       GLU  89  24.623  -1.236 -16.650
  615   1HG   GLU  89          2HG       GLU  89  25.300  -2.843 -15.297
  616   2HG   GLU  89          1HG       GLU  89  26.956  -2.452 -15.754
  617    HA   PRO  90           HA       PRO  90  26.177   3.163 -19.281
  618   1HB   PRO  90          2HB       PRO  90  26.143   2.192 -22.007
  619   2HB   PRO  90          1HB       PRO  90  27.366   3.176 -21.202
  620   1HG   PRO  90          2HG       PRO  90  27.783   0.594 -21.989
  621   2HG   PRO  90          1HG       PRO  90  28.640   1.364 -20.643
  622   1HD   PRO  90          2HD       PRO  90  26.308  -0.512 -20.583
  623   2HD   PRO  90          1HD       PRO  90  27.731  -0.447 -19.521
  624    H    THR  91           H        THR  91  24.196   0.477 -19.560
  625    HA   THR  91           HA       THR  91  22.148   1.619 -21.223
  626    HB   THR  91           HB       THR  91  21.010  -0.466 -19.767
  627    HG1  THR  91           1HG      THR  91  22.702  -1.465 -18.947
  628   1HG2  THR  91          1HG2      THR  91  22.532  -0.829 -22.338
  629   2HG2  THR  91          2HG2      THR  91  21.009   0.055 -22.261
  630   3HG2  THR  91          3HG2      THR  91  21.061  -1.648 -21.811
  631    H    LEU  92           H        LEU  92  21.740   3.611 -20.110
  632    HA   LEU  92           HA       LEU  92  20.739   3.520 -17.393
  633   1HB   LEU  92          2HB       LEU  92  21.813   5.497 -19.125
  634   2HB   LEU  92          1HB       LEU  92  20.202   6.019 -18.668
  635    HG   LEU  92           HG       LEU  92  21.889   5.062 -16.445
  636   1HD1  LEU  92          1HD1      LEU  92  23.673   6.306 -16.874
  637   2HD1  LEU  92          2HD1      LEU  92  22.922   6.972 -18.326
  638   3HD1  LEU  92          3HD1      LEU  92  22.645   7.737 -16.760
  639   1HD2  LEU  92          1HD2      LEU  92  20.343   6.184 -15.327
  640   2HD2  LEU  92          2HD2      LEU  92  20.806   7.680 -16.140
  641   3HD2  LEU  92          3HD2      LEU  92  19.577   6.632 -16.852
  642    H    MET  93           H        MET  93  18.973   2.047 -17.864
  643    HA   MET  93           HA       MET  93  16.708   3.338 -19.243
  644   1HB   MET  93          2HB       MET  93  17.746   0.607 -19.205
  645   2HB   MET  93          1HB       MET  93  16.019   0.683 -18.886
  646   1HG   MET  93          2HG       MET  93  15.518   1.319 -20.979
  647   2HG   MET  93          1HG       MET  93  16.967   2.307 -21.143
  648   1HE   MET  93          1HE       MET  93  15.824  -0.523 -23.521
  649   2HE   MET  93          2HE       MET  93  16.023  -1.834 -22.356
  650   3HE   MET  93          3HE       MET  93  15.038  -0.429 -21.945
  651    H    GLY  94           H        GLY  94  17.630   3.639 -16.411
  652   1HA   GLY  94          1HA       GLY  94  15.747   4.248 -14.824
  653   2HA   GLY  94          2HA       GLY  94  15.257   2.572 -15.032
  654    H    GLY  95           H        GLY  95  15.542   2.851 -12.573
  655   1HA   GLY  95          1HA       GLY  95  17.708   1.296 -11.761
  656   2HA   GLY  95          2HA       GLY  95  18.139   2.977 -11.473
  657    H    GLU  96           H        GLU  96  18.237   2.212  -9.237
  658    HA   GLU  96           HA       GLU  96  15.610   1.911  -7.961
  659   1HB   GLU  96          2HB       GLU  96  17.690   1.746  -6.040
  660   2HB   GLU  96          1HB       GLU  96  16.663   0.450  -6.630
  661   1HG   GLU  96          2HG       GLU  96  18.786  -0.361  -7.011
  662   2HG   GLU  96          1HG       GLU  96  18.337   0.303  -8.579
  663    H    PHE  97           H        PHE  97  18.615   3.766  -7.762
  664    HA   PHE  97           HA       PHE  97  17.618   5.633  -5.848
  665   1HB   PHE  97          2HB       PHE  97  20.097   5.095  -7.140
  666   2HB   PHE  97          1HB       PHE  97  19.704   6.789  -7.412
  667    HD1  PHE  97           1HD      PHE  97  18.044   6.586  -4.607
  668    HD2  PHE  97           2HD      PHE  97  22.064   6.016  -5.879
  669    HE1  PHE  97           1HE      PHE  97  18.836   7.136  -2.344
  670    HE2  PHE  97           2HE      PHE  97  22.861   6.559  -3.618
  671    HZ   PHE  97           HZ       PHE  97  21.245   7.122  -1.845
  672    H    GLY  98           H        GLY  98  16.559   7.503  -6.141
  673   1HA   GLY  98          1HA       GLY  98  15.562   9.278  -7.325
  674   2HA   GLY  98          2HA       GLY  98  16.117   8.555  -8.834
  675    H    ASP  99           H        ASP  99  15.082   6.643  -9.574
  676    HA   ASP  99           HA       ASP  99  13.356   5.281 -10.090
  677   1HB   ASP  99          2HB       ASP  99  13.765   4.930  -7.476
  678   2HB   ASP  99          1HB       ASP  99  12.122   5.556  -7.396
  679    H    GLU 100           H        GLU 100  11.121   5.107 -10.548
  680    HA   GLU 100           HA       GLU 100   9.680   7.669 -10.403
  681   1HB   GLU 100          2HB       GLU 100  10.060   6.044 -12.585
  682   2HB   GLU 100          1HB       GLU 100   8.483   5.520 -12.011
  683   1HG   GLU 100          2HG       GLU 100   8.255   7.258 -13.676
  684   2HG   GLU 100          1HG       GLU 100   7.677   7.817 -12.107
  685    H    ASP 101           H        ASP 101  10.074   4.819  -8.867
  686    HA   ASP 101           HA       ASP 101   7.420   3.995  -8.329
  687   1HB   ASP 101          2HB       ASP 101   9.805   2.838  -7.959
  688   2HB   ASP 101          1HB       ASP 101   9.542   3.448  -6.327
  689    H    GLU 102           H        GLU 102   9.272   6.598  -7.152
  690    HA   GLU 102           HA       GLU 102   7.961   6.870  -4.612
  691   1HB   GLU 102          2HB       GLU 102   8.895   9.311  -4.931
  692   2HB   GLU 102          1HB       GLU 102   9.983   7.979  -4.564
  693   1HG   GLU 102          2HG       GLU 102  11.038   8.150  -6.520
  694   2HG   GLU 102          1HG       GLU 102   9.534   8.376  -7.413
  695    H    ARG 103           H        ARG 103   5.854   6.507  -5.523
  696    HA   ARG 103           HA       ARG 103   4.303   8.849  -5.785
  697   1HB   ARG 103          2HB       ARG 103   5.383   7.860  -8.238
  698   2HB   ARG 103          1HB       ARG 103   3.669   7.470  -8.221
  699   1HG   ARG 103          2HG       ARG 103   3.046   9.614  -8.460
  700   2HG   ARG 103          1HG       ARG 103   4.325  10.213  -7.400
  701   1HD   ARG 103          2HD       ARG 103   5.707   9.269  -9.588
  702   2HD   ARG 103          1HD       ARG 103   4.258   9.974 -10.303
  703    HE   ARG 103           HE       ARG 103   4.861  12.079  -9.342
  704   1HH1  ARG 103          2HH1      ARG 103   7.307   9.603  -9.052
  705   2HH1  ARG 103          1HH1      ARG 103   8.602  10.720  -8.756
  706   1HH2  ARG 103          2HH2      ARG 103   6.561  13.574  -8.999
  707   2HH2  ARG 103          1HH2      ARG 103   8.180  12.987  -8.758
  708    H    LEU 104           H        LEU 104   4.624   6.375  -4.338
  709    HA   LEU 104           HA       LEU 104   2.351   4.751  -5.155
  710   1HB   LEU 104          2HB       LEU 104   4.640   3.787  -4.714
  711   2HB   LEU 104          1HB       LEU 104   4.392   4.162  -3.020
  712    HG   LEU 104           HG       LEU 104   2.180   2.734  -3.415
  713   1HD1  LEU 104          1HD1      LEU 104   4.117   1.417  -5.303
  714   2HD1  LEU 104          2HD1      LEU 104   2.452   0.953  -4.952
  715   3HD1  LEU 104          3HD1      LEU 104   2.784   2.438  -5.844
  716   1HD2  LEU 104          1HD2      LEU 104   3.169   1.306  -2.012
  717   2HD2  LEU 104          2HD2      LEU 104   4.474   0.956  -3.146
  718   3HD2  LEU 104          3HD2      LEU 104   4.565   2.383  -2.113
  719    H    ILE 105           H        ILE 105   2.853   7.298  -3.074
  720    HA   ILE 105           HA       ILE 105   0.793   6.246  -1.262
  721    HB   ILE 105           HB       ILE 105   2.899   8.316  -0.674
  722   1HG1  ILE 105          2HG1      ILE 105   2.147   5.623   0.461
  723   1HG2  ILE 105          1HG2      ILE 105   1.442   9.353   0.670
  724   2HG2  ILE 105          2HG2      ILE 105   0.208   8.115   0.389
  725   3HG2  ILE 105          3HG2      ILE 105   1.423   7.886   1.650
  726   1HD1  ILE 105          1HD1      ILE 105   3.805   5.801   2.121
  727   2HD1  ILE 105          2HD1      ILE 105   4.358   7.360   1.502
  728   3HD1  ILE 105          3HD1      ILE 105   2.779   7.226   2.280
  729    H    THR 106           H        THR 106  -0.893   6.732  -2.549
  730    HA   THR 106           HA       THR 106  -1.432   9.537  -3.204
  731    HB   THR 106           HB       THR 106  -3.075   7.082  -3.842
  732    HG1  THR 106           1HG      THR 106  -0.939   8.321  -5.250
  733   1HG2  THR 106          1HG2      THR 106  -3.653   9.807  -4.109
  734   2HG2  THR 106          2HG2      THR 106  -4.541   8.447  -4.797
  735   3HG2  THR 106          3HG2      THR 106  -3.271   9.237  -5.732
  736    H    ARG 107           H        ARG 107  -2.190  10.586  -1.417
  737    HA   ARG 107           HA       ARG 107  -4.317   9.226   0.103
  738   1HB   ARG 107          2HB       ARG 107  -2.515   9.033   1.557
  739   2HB   ARG 107          1HB       ARG 107  -1.843  10.588   1.093
  740   1HG   ARG 107          2HG       ARG 107  -2.645  10.900   3.265
  741   2HG   ARG 107          1HG       ARG 107  -3.869  11.631   2.226
  742   1HD   ARG 107          2HD       ARG 107  -5.430  10.048   2.718
  743   2HD   ARG 107          1HD       ARG 107  -4.227   8.775   2.931
  744    HE   ARG 107           HE       ARG 107  -3.967  10.679   5.006
  745   1HH1  ARG 107          2HH1      ARG 107  -6.155   8.154   3.935
  746   2HH1  ARG 107          1HH1      ARG 107  -6.725   7.788   5.537
  747   1HH2  ARG 107          2HH2      ARG 107  -4.701  10.206   7.091
  748   2HH2  ARG 107          1HH2      ARG 107  -5.872   8.940   7.346
  749    H    LEU 108           H        LEU 108  -6.115  10.260  -0.024
  750    HA   LEU 108           HA       LEU 108  -6.204  13.030   0.671
  751   1HB   LEU 108          2HB       LEU 108  -7.431  13.887  -1.149
  752   2HB   LEU 108          1HB       LEU 108  -6.048  13.069  -1.828
  753    HG   LEU 108           HG       LEU 108  -7.707  12.502  -3.307
  754   1HD1  LEU 108          1HD1      LEU 108  -8.255  10.217  -1.472
  755   2HD1  LEU 108          2HD1      LEU 108  -8.012  10.230  -3.219
  756   3HD1  LEU 108          3HD1      LEU 108  -6.639  10.458  -2.136
  757   1HD2  LEU 108          1HD2      LEU 108 -10.010  11.696  -2.400
  758   2HD2  LEU 108          2HD2      LEU 108  -9.528  12.587  -0.957
  759   3HD2  LEU 108          3HD2      LEU 108  -9.643  13.415  -2.508
  760    H    GLU 109           H        GLU 109  -8.440  13.696   1.224
  761    HA   GLU 109           HA       GLU 109 -10.190  11.428   1.852
  762   1HB   GLU 109          2HB       GLU 109  -8.547  12.842   3.754
  763   2HB   GLU 109          1HB       GLU 109 -10.250  13.090   4.113
  764   1HG   GLU 109          2HG       GLU 109  -9.352  10.330   3.539
  765   2HG   GLU 109          1HG       GLU 109  -8.888  11.045   5.082
  766    H    ASN 110           H        ASN 110 -12.280  12.267   2.854
  767    HA   ASN 110           HA       ASN 110 -13.631  13.809   1.024
  768   1HB   ASN 110          2HB       ASN 110 -14.715  12.432   2.787
  769   2HB   ASN 110          1HB       ASN 110 -14.312  13.673   3.971
  770   1HD2  ASN 110          1HD2      ASN 110 -16.084  14.738   4.497
  771   2HD2  ASN 110          2HD2      ASN 110 -17.297  15.301   3.390
  772    H    THR 111           H        THR 111 -12.877  15.725   0.353
  773    HA   THR 111           HA       THR 111 -12.341  17.927   0.305
  774    HB   THR 111           HB       THR 111 -13.593  18.548   2.922
  775    HG1  THR 111           1HG      THR 111 -14.850  17.074   0.906
  776   1HG2  THR 111          1HG2      THR 111 -14.365  20.445   1.816
  777   2HG2  THR 111          2HG2      THR 111 -14.307  19.665   0.235
  778   3HG2  THR 111          3HG2      THR 111 -12.811  20.148   1.036
  779    H    GLN 112           H        GLN 112 -10.600  16.016   1.727
  780    HA   GLN 112           HA       GLN 112  -8.975  17.983   3.180
  781   1HB   GLN 112          2HB       GLN 112 -10.294  15.669   4.335
  782   2HB   GLN 112          1HB       GLN 112  -8.549  15.557   4.514
  783   1HG   GLN 112          2HG       GLN 112  -8.457  17.247   5.997
  784   2HG   GLN 112          1HG       GLN 112  -9.738  18.162   5.197
  785   1HE2  GLN 112          1HE2      GLN 112 -11.927  17.528   5.579
  786   2HE2  GLN 112          2HE2      GLN 112 -12.364  16.715   7.049
  787    H    PHE 113           H        PHE 113  -6.714  17.243   3.426
  788    HA   PHE 113           HA       PHE 113  -5.901  15.640   1.107
  789   1HB   PHE 113          2HB       PHE 113  -4.527  17.672   2.826
  790   2HB   PHE 113          1HB       PHE 113  -3.554  16.463   1.998
  791    HD1  PHE 113           1HD      PHE 113  -3.196  19.315   1.469
  792    HD2  PHE 113           2HD      PHE 113  -5.881  16.524  -0.297
  793    HE1  PHE 113           1HE      PHE 113  -3.260  20.674  -0.581
  794    HE2  PHE 113           2HE      PHE 113  -5.945  17.876  -2.349
  795    HZ   PHE 113           HZ       PHE 113  -4.633  19.955  -2.493
  796    H    ASP 114           H        ASP 114  -5.646  15.868   4.593
  797    HA   ASP 114           HA       ASP 114  -5.295  12.988   4.739
  798   1HB   ASP 114          2HB       ASP 114  -2.977  13.784   4.789
  799   2HB   ASP 114          1HB       ASP 114  -3.376  14.906   6.087
  800    H    ALA 115           H        ALA 115  -7.146  12.597   5.815
  801    HA   ALA 115           HA       ALA 115  -8.058  14.388   7.896
  802   1HB   ALA 115          1HB       ALA 115  -9.512  11.879   7.661
  803   2HB   ALA 115          2HB       ALA 115 -10.082  13.537   7.492
  804   3HB   ALA 115          3HB       ALA 115  -9.347  12.716   6.117
  805    H    ALA 116           H        ALA 116  -8.686  13.533  10.038
  806    HA   ALA 116           HA       ALA 116  -6.564  11.775  11.037
  807   1HB   ALA 116          1HB       ALA 116  -6.493  13.131  12.796
  808   2HB   ALA 116          2HB       ALA 116  -7.675  14.161  11.984
  809   3HB   ALA 116          3HB       ALA 116  -8.216  12.906  13.101
  810    H    ASN 117           H        ASN 117  -9.141  11.011   9.662
  811    HA   ASN 117           HA       ASN 117 -10.606   9.293   9.687
  812   1HB   ASN 117          2HB       ASN 117  -8.715   7.959  10.572
  813   2HB   ASN 117          1HB       ASN 117  -9.196   8.395  12.210
  814   1HD2  ASN 117          1HD2      ASN 117 -10.345   6.863   9.264
  815   2HD2  ASN 117          2HD2      ASN 117 -11.439   5.759  10.044
  816    H    GLY 118           H        GLY 118 -12.444  10.443   9.984
  817   1HA   GLY 118          1HA       GLY 118 -13.449  10.554  12.767
  818   2HA   GLY 118          2HA       GLY 118 -13.706  11.872  11.631
  819    H    ILE 119           H        ILE 119 -14.381   8.451  12.186
  820    HA   ILE 119           HA       ILE 119 -16.291   8.226  10.104
  821    HB   ILE 119           HB       ILE 119 -16.342   6.439  12.507
  822   1HG1  ILE 119          2HG1      ILE 119 -14.386   5.980  10.272
  823   1HG2  ILE 119          1HG2      ILE 119 -17.346   4.951  11.138
  824   2HG2  ILE 119          2HG2      ILE 119 -17.758   6.404  10.228
  825   3HG2  ILE 119          3HG2      ILE 119 -16.379   5.420   9.740
  826   1HD1  ILE 119          1HD1      ILE 119 -14.569   4.062  11.564
  827   2HD1  ILE 119          2HD1      ILE 119 -13.150   4.879  12.219
  828   3HD1  ILE 119          3HD1      ILE 119 -14.691   4.971  13.071
  829    H    ASP 120           H        ASP 120 -18.212   9.130  10.044
  830    HA   ASP 120           HA       ASP 120 -19.810   9.221  12.509
  831   1HB   ASP 120          2HB       ASP 120 -18.942  11.517  11.856
  832   2HB   ASP 120          1HB       ASP 120 -19.923  11.382  10.400
  833    H    ASP 121           H        ASP 121 -20.492  10.230   9.182
  834    HA   ASP 121           HA       ASP 121 -22.732   8.361   9.054
  835   1HB   ASP 121          2HB       ASP 121 -23.414  10.264   7.951
  836   2HB   ASP 121          1HB       ASP 121 -21.789  10.665   7.409
  837    H    GLU 122           H        GLU 122 -19.599   8.969   7.577
  838    HA   GLU 122           HA       GLU 122 -19.213   6.164   7.135
  839   1HB   GLU 122          2HB       GLU 122 -20.110   7.815   4.967
  840   2HB   GLU 122          1HB       GLU 122 -18.457   7.300   4.652
  841   1HG   GLU 122          2HG       GLU 122 -19.103   4.981   4.932
  842   2HG   GLU 122          1HG       GLU 122 -20.751   5.469   5.321
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -14.514   8.432 -11.962
    2   2H    GLY   1          2H        GLY   1 -13.175   9.007 -11.091
    3   3H    GLY   1          3H        GLY   1 -14.635   8.682 -10.289
    4   1HA   GLY   1          2HA       GLY   1 -13.900   6.353 -11.635
    5   2HA   GLY   1          1HA       GLY   1 -12.483   6.943 -10.775
    6    H    SER   2           H        SER   2 -12.322   5.708  -9.021
    7    HA   SER   2           HA       SER   2 -12.787   4.695  -7.051
    8   1HB   SER   2          2HB       SER   2 -14.986   6.549  -6.363
    9   2HB   SER   2          1HB       SER   2 -13.522   6.149  -5.469
   10    HG   SER   2           HG       SER   2 -13.966   8.333  -6.799
   11    H    LEU   3           H        LEU   3 -14.182   3.565  -9.249
   12    HA   LEU   3           HA       LEU   3 -16.899   3.069  -8.438
   13   1HB   LEU   3          2HB       LEU   3 -15.825   3.035 -10.830
   14   2HB   LEU   3          1HB       LEU   3 -15.456   1.368 -10.429
   15    HG   LEU   3           HG       LEU   3 -18.239   2.041  -9.890
   16   1HD1  LEU   3          1HD1      LEU   3 -17.555   3.506 -11.916
   17   2HD1  LEU   3          2HD1      LEU   3 -17.542   1.978 -12.793
   18   3HD1  LEU   3          3HD1      LEU   3 -19.020   2.531 -12.008
   19   1HD2  LEU   3          1HD2      LEU   3 -16.652  -0.176 -10.641
   20   2HD2  LEU   3          2HD2      LEU   3 -18.361  -0.149 -10.211
   21   3HD2  LEU   3          3HD2      LEU   3 -17.872   0.053 -11.893
   22    H    SER   4           H        SER   4 -13.809   1.481  -8.086
   23    HA   SER   4           HA       SER   4 -15.043  -0.904  -6.958
   24   1HB   SER   4          2HB       SER   4 -12.085  -0.474  -6.963
   25   2HB   SER   4          1HB       SER   4 -13.008  -1.950  -7.252
   26    HG   SER   4           HG       SER   4 -13.540  -1.200  -9.290
   27    H    TRP   5           H        TRP   5 -14.925  -1.491  -4.822
   28    HA   TRP   5           HA       TRP   5 -14.660   0.651  -2.957
   29   1HB   TRP   5          2HB       TRP   5 -15.875  -1.908  -3.003
   30   2HB   TRP   5          1HB       TRP   5 -14.775  -1.875  -1.625
   31    HD1  TRP   5           HD       TRP   5 -17.038   0.955  -2.995
   32    HE1  TRP   5           1HE      TRP   5 -18.544   1.773  -1.075
   33    HE3  TRP   5           3HE      TRP   5 -15.553  -2.317   0.629
   34    HZ2  TRP   5           2HZ      TRP   5 -19.022   1.117   1.633
   35    HZ3  TRP   5           3HZ      TRP   5 -16.566  -2.155   2.858
   36    HH2  TRP   5           HH       TRP   5 -18.269  -0.474   3.351
   37    H    LYS   6           H        LYS   6 -12.826  -2.309  -3.604
   38    HA   LYS   6           HA       LYS   6 -10.666  -2.885  -3.189
   39   1HB   LYS   6          2HB       LYS   6 -10.505   0.053  -2.630
   40   2HB   LYS   6          1HB       LYS   6  -9.161  -0.987  -2.182
   41   1HG   LYS   6          2HG       LYS   6  -8.497  -0.336  -4.258
   42   2HG   LYS   6          1HG       LYS   6  -9.383  -1.807  -4.666
   43   1HD   LYS   6          2HD       LYS   6 -10.424  -0.466  -6.150
   44   2HD   LYS   6          1HD       LYS   6 -11.379   0.022  -4.747
   45   1HE   LYS   6          2HE       LYS   6  -9.304   1.689  -4.470
   46   2HE   LYS   6          1HE       LYS   6  -9.271   1.475  -6.221
   47   1HZ   LYS   6          1HZ       LYS   6 -10.835   3.230  -4.880
   48   2HZ   LYS   6          2HZ       LYS   6 -11.909   1.955  -5.185
   49   3HZ   LYS   6          3HZ       LYS   6 -11.096   2.703  -6.471
   50    H    ARG   7           H        ARG   7  -9.121  -3.206  -1.338
   51    HA   ARG   7           HA       ARG   7 -10.306  -2.815   1.296
   52   1HB   ARG   7          2HB       ARG   7 -10.059  -5.176   1.910
   53   2HB   ARG   7          1HB       ARG   7 -11.211  -4.970   0.601
   54   1HG   ARG   7          2HG       ARG   7 -10.106  -6.593  -0.437
   55   2HG   ARG   7          1HG       ARG   7  -8.835  -5.402  -0.721
   56   1HD   ARG   7          2HD       ARG   7  -8.014  -7.524   0.279
   57   2HD   ARG   7          1HD       ARG   7  -7.660  -6.097   1.250
   58    HE   ARG   7           HE       ARG   7 -10.036  -7.054   2.243
   59   1HH1  ARG   7          2HH1      ARG   7  -6.765  -8.277   1.844
   60   2HH1  ARG   7          1HH1      ARG   7  -6.884  -9.397   3.175
   61   1HH2  ARG   7          2HH2      ARG   7 -10.206  -8.558   3.970
   62   2HH2  ARG   7          1HH2      ARG   7  -8.851  -9.582   4.356
   63    H    CYS   8           H        CYS   8  -8.760  -3.517   3.039
   64    HA   CYS   8           HA       CYS   8  -6.270  -2.295   2.500
   65   1HB   CYS   8          2HB       CYS   8  -7.528  -2.305   4.714
   66   2HB   CYS   8          1HB       CYS   8  -6.899  -3.932   4.951
   67    H    ALA   9           H        ALA   9  -4.268  -3.069   2.357
   68    HA   ALA   9           HA       ALA   9  -3.937  -5.990   2.118
   69   1HB   ALA   9          1HB       ALA   9  -2.291  -5.697   0.530
   70   2HB   ALA   9          2HB       ALA   9  -3.365  -4.347   0.151
   71   3HB   ALA   9          3HB       ALA   9  -1.893  -4.070   1.087
   72    H    GLY  10           H        GLY  10  -3.643  -3.518   4.204
   73   1HA   GLY  10          1HA       GLY  10  -1.039  -4.262   5.314
   74   2HA   GLY  10          2HA       GLY  10  -2.060  -2.934   5.845
   75    H    CYS  11           H        CYS  11  -4.474  -4.368   6.163
   76    HA   CYS  11           HA       CYS  11  -3.734  -6.292   8.253
   77   1HB   CYS  11          2HB       CYS  11  -5.711  -5.585   9.559
   78   2HB   CYS  11          1HB       CYS  11  -4.531  -4.300   9.375
   79    H    GLY  12           H        GLY  12  -6.978  -5.439   7.223
   80   1HA   GLY  12          1HA       GLY  12  -7.491  -7.166   5.180
   81   2HA   GLY  12          2HA       GLY  12  -7.548  -8.199   6.604
   82    H    GLY  13           H        GLY  13  -9.263  -6.052   4.649
   83   1HA   GLY  13          1HA       GLY  13 -11.754  -6.462   5.542
   84   2HA   GLY  13          2HA       GLY  13 -11.155  -5.238   6.657
   85    H    LYS  14           H        LYS  14 -13.173  -5.323   4.407
   86    HA   LYS  14           HA       LYS  14 -12.327  -3.693   2.298
   87   1HB   LYS  14          2HB       LYS  14 -14.990  -4.325   3.509
   88   2HB   LYS  14          1HB       LYS  14 -14.875  -3.062   2.291
   89   1HG   LYS  14          2HG       LYS  14 -13.616  -5.678   1.692
   90   2HG   LYS  14          1HG       LYS  14 -15.377  -5.573   1.659
   91   1HD   LYS  14          2HD       LYS  14 -14.737  -3.359   0.259
   92   2HD   LYS  14          1HD       LYS  14 -13.368  -4.392  -0.152
   93   1HE   LYS  14          2HE       LYS  14 -15.276  -4.573  -1.734
   94   2HE   LYS  14          1HE       LYS  14 -14.827  -6.102  -0.981
   95   1HZ   LYS  14          1HZ       LYS  14 -16.992  -6.264  -0.527
   96   2HZ   LYS  14          2HZ       LYS  14 -17.290  -4.614  -0.797
   97   3HZ   LYS  14          3HZ       LYS  14 -16.708  -5.136   0.708
   98    H    ILE  15           H        ILE  15 -11.998  -1.563   2.109
   99    HA   ILE  15           HA       ILE  15 -12.020  -0.063   4.582
  100    HB   ILE  15           HB       ILE  15 -10.871   0.780   1.930
  101   1HG1  ILE  15          2HG1      ILE  15  -9.961  -1.211   3.905
  102   1HG2  ILE  15          1HG2      ILE  15  -9.514   1.721   4.291
  103   2HG2  ILE  15          2HG2      ILE  15 -10.227   2.639   2.966
  104   3HG2  ILE  15          3HG2      ILE  15 -11.222   2.153   4.338
  105   1HD1  ILE  15          1HD1      ILE  15  -8.109   0.973   3.036
  106   2HD1  ILE  15          2HD1      ILE  15  -8.320   0.268   4.640
  107   3HD1  ILE  15          3HD1      ILE  15  -7.533  -0.661   3.362
  108    H    ALA  16           H        ALA  16 -13.851   0.913   5.055
  109    HA   ALA  16           HA       ALA  16 -15.190   2.504   2.959
  110   1HB   ALA  16          1HB       ALA  16 -16.250   1.376   5.549
  111   2HB   ALA  16          2HB       ALA  16 -17.139   2.506   4.526
  112   3HB   ALA  16          3HB       ALA  16 -16.706   0.912   3.908
  113    H    ASP  17           H        ASP  17 -12.781   3.096   4.617
  114    HA   ASP  17           HA       ASP  17 -13.459   5.026   6.591
  115   1HB   ASP  17          2HB       ASP  17 -11.009   3.958   5.374
  116   2HB   ASP  17          1HB       ASP  17 -10.892   5.649   5.855
  117    H    ARG  18           H        ARG  18 -13.561   7.210   6.498
  118    HA   ARG  18           HA       ARG  18 -14.083   8.474   3.978
  119   1HB   ARG  18          2HB       ARG  18 -14.907   9.075   6.429
  120   2HB   ARG  18          1HB       ARG  18 -13.433  10.034   6.447
  121   1HG   ARG  18          2HG       ARG  18 -14.172  11.442   4.756
  122   2HG   ARG  18          1HG       ARG  18 -15.403  10.300   4.211
  123   1HD   ARG  18          2HD       ARG  18 -15.423  11.783   6.841
  124   2HD   ARG  18          1HD       ARG  18 -16.370  12.215   5.417
  125    HE   ARG  18           HE       ARG  18 -17.402   9.922   5.687
  126   1HH1  ARG  18          2HH1      ARG  18 -16.108  11.724   8.411
  127   2HH1  ARG  18          1HH1      ARG  18 -17.156  10.964   9.572
  128   1HH2  ARG  18          2HH2      ARG  18 -18.781   8.930   7.216
  129   2HH2  ARG  18          1HH2      ARG  18 -18.686   9.385   8.892
  130    H    PHE  19           H        PHE  19 -11.480   8.369   6.316
  131    HA   PHE  19           HA       PHE  19  -9.701   9.755   4.414
  132   1HB   PHE  19          2HB       PHE  19  -9.325   9.398   7.391
  133   2HB   PHE  19          1HB       PHE  19  -8.340  10.386   6.319
  134    HD1  PHE  19           1HD      PHE  19 -10.724  11.573   4.775
  135    HD2  PHE  19           2HD      PHE  19  -9.900  11.115   8.918
  136    HE1  PHE  19           1HE      PHE  19 -12.153  13.513   5.265
  137    HE2  PHE  19           2HE      PHE  19 -11.332  13.050   9.419
  138    HZ   PHE  19           HZ       PHE  19 -12.460  14.253   7.591
  139    H    LEU  20           H        LEU  20  -8.623   8.217   3.277
  140    HA   LEU  20           HA       LEU  20  -7.160   6.240   4.811
  141   1HB   LEU  20          2HB       LEU  20  -7.876   4.336   3.627
  142   2HB   LEU  20          1HB       LEU  20  -9.315   5.176   4.141
  143    HG   LEU  20           HG       LEU  20  -9.888   4.450   2.028
  144   1HD1  LEU  20          1HD1      LEU  20  -9.990   6.323   0.523
  145   2HD1  LEU  20          2HD1      LEU  20 -10.281   6.859   2.179
  146   3HD1  LEU  20          3HD1      LEU  20  -8.715   7.150   1.421
  147   1HD2  LEU  20          1HD2      LEU  20  -7.334   3.896   1.611
  148   2HD2  LEU  20          2HD2      LEU  20  -8.513   3.951   0.302
  149   3HD2  LEU  20          3HD2      LEU  20  -7.454   5.330   0.595
  150    H    LEU  21           H        LEU  21  -5.425   5.258   3.733
  151    HA   LEU  21           HA       LEU  21  -4.417   6.798   1.427
  152   1HB   LEU  21          2HB       LEU  21  -3.264   6.696   3.856
  153   2HB   LEU  21          1HB       LEU  21  -2.576   5.239   3.168
  154    HG   LEU  21           HG       LEU  21  -2.378   7.814   1.659
  155   1HD1  LEU  21          1HD1      LEU  21  -1.602   8.438   3.831
  156   2HD1  LEU  21          2HD1      LEU  21  -0.651   6.958   3.968
  157   3HD1  LEU  21          3HD1      LEU  21  -0.198   8.191   2.791
  158   1HD2  LEU  21          1HD2      LEU  21  -0.022   6.380   1.487
  159   2HD2  LEU  21          2HD2      LEU  21  -1.272   5.133   1.515
  160   3HD2  LEU  21          3HD2      LEU  21  -1.322   6.404   0.292
  161    H    TYR  22           H        TYR  22  -3.381   5.551  -0.252
  162    HA   TYR  22           HA       TYR  22  -3.346   2.686   0.083
  163   1HB   TYR  22          2HB       TYR  22  -4.763   2.201  -1.850
  164   2HB   TYR  22          1HB       TYR  22  -5.644   3.000  -0.559
  165    HD1  TYR  22           1HD      TYR  22  -6.091   5.514  -0.813
  166    HD2  TYR  22           2HD      TYR  22  -4.835   3.017  -4.016
  167    HE1  TYR  22           1HE      TYR  22  -7.029   7.115  -2.419
  168    HE2  TYR  22           2HE      TYR  22  -5.758   4.611  -5.634
  169    HH   TYR  22           HH       TYR  22  -6.563   7.748  -4.899
  170    H    ALA  23           H        ALA  23  -2.391   1.543  -1.675
  171    HA   ALA  23           HA       ALA  23  -0.941   3.026  -3.664
  172   1HB   ALA  23          1HB       ALA  23   0.548   1.635  -1.433
  173   2HB   ALA  23          2HB       ALA  23   1.286   2.245  -2.914
  174   3HB   ALA  23          3HB       ALA  23   0.542   3.366  -1.774
  175    H    MET  24           H        MET  24   0.253   1.574  -5.118
  176    HA   MET  24           HA       MET  24   0.438  -0.282  -6.419
  177   1HB   MET  24          2HB       MET  24   0.031  -1.514  -3.710
  178   2HB   MET  24          1HB       MET  24   0.140  -2.527  -5.138
  179   1HG   MET  24          2HG       MET  24   2.346  -2.290  -5.281
  180   2HG   MET  24          1HG       MET  24   2.276  -0.558  -4.960
  181   1HE   MET  24          1HE       MET  24   2.107  -3.834  -1.773
  182   2HE   MET  24          2HE       MET  24   1.471  -3.889  -3.418
  183   3HE   MET  24          3HE       MET  24   3.197  -4.098  -3.133
  184    H    ASP  25           H        ASP  25  -2.150   1.048  -6.080
  185    HA   ASP  25           HA       ASP  25  -4.238   0.872  -6.939
  186   1HB   ASP  25          2HB       ASP  25  -2.896  -1.466  -8.079
  187   2HB   ASP  25          1HB       ASP  25  -4.640  -1.657  -7.930
  188    H    SER  26           H        SER  26  -3.168  -0.770  -4.353
  189    HA   SER  26           HA       SER  26  -5.826  -1.873  -3.708
  190   1HB   SER  26          2HB       SER  26  -3.588  -2.577  -1.927
  191   2HB   SER  26          1HB       SER  26  -4.830  -3.611  -2.633
  192    HG   SER  26           HG       SER  26  -3.103  -2.662  -4.507
  193    H    TYR  27           H        TYR  27  -6.556  -1.487  -1.463
  194    HA   TYR  27           HA       TYR  27  -5.761   1.194  -0.626
  195   1HB   TYR  27          2HB       TYR  27  -8.119  -0.556  -0.041
  196   2HB   TYR  27          1HB       TYR  27  -7.709   0.748   1.066
  197    HD1  TYR  27           1HD      TYR  27  -6.764   1.689  -2.192
  198    HD2  TYR  27           2HD      TYR  27 -10.161   1.300   0.349
  199    HE1  TYR  27           1HE      TYR  27  -8.001   3.261  -3.604
  200    HE2  TYR  27           2HE      TYR  27 -11.405   2.883  -1.062
  201    HH   TYR  27           HH       TYR  27 -11.368   4.176  -2.862
  202    H    TRP  28           H        TRP  28  -5.355   1.659   1.612
  203    HA   TRP  28           HA       TRP  28  -4.443  -0.578   3.261
  204   1HB   TRP  28          2HB       TRP  28  -2.740   1.842   2.590
  205   2HB   TRP  28          1HB       TRP  28  -2.319   0.600   3.755
  206    HD1  TRP  28           HD       TRP  28  -2.824   1.017  -0.052
  207    HE1  TRP  28           1HE      TRP  28  -1.296  -0.671  -1.259
  208    HE3  TRP  28           3HE      TRP  28  -1.009  -1.471   4.018
  209    HZ2  TRP  28           2HZ      TRP  28   0.449  -2.769  -0.562
  210    HZ3  TRP  28           3HZ      TRP  28   0.588  -3.303   3.669
  211    HH2  TRP  28           HH       TRP  28   1.303  -3.942   1.424
  212    H    HIS  29           H        HIS  29  -3.690   0.408   5.424
  213    HA   HIS  29           HA       HIS  29  -5.321   2.764   6.076
  214   1HB   HIS  29          2HB       HIS  29  -4.375   0.501   7.832
  215   2HB   HIS  29          1HB       HIS  29  -4.831   2.064   8.508
  216    HD2  HIS  29           2HD      HIS  29  -7.585   2.790   7.894
  217    HE1  HIS  29           1HE      HIS  29  -8.703  -1.282   7.512
  218    HE2  HIS  29           2HE      HIS  29  -9.555   1.115   7.626
  219    H    SER  30           H        SER  30  -4.139   4.368   7.420
  220    HA   SER  30           HA       SER  30  -1.819   5.131   6.209
  221   1HB   SER  30          2HB       SER  30  -2.254   5.916   9.069
  222   2HB   SER  30          1HB       SER  30  -1.729   6.901   7.701
  223    HG   SER  30           HG       SER  30  -3.751   7.493   7.672
  224    H    ARG  31           H        ARG  31  -2.070   3.318   9.266
  225    HA   ARG  31           HA       ARG  31   0.843   3.053   9.308
  226   1HB   ARG  31          2HB       ARG  31  -1.175   3.166  11.313
  227   2HB   ARG  31          1HB       ARG  31  -0.372   1.607  11.435
  228   1HG   ARG  31          2HG       ARG  31   1.542   2.503  12.187
  229   2HG   ARG  31          1HG       ARG  31   1.433   3.899  11.113
  230   1HD   ARG  31          2HD       ARG  31   1.239   4.713  13.341
  231   2HD   ARG  31          1HD       ARG  31  -0.368   4.792  12.618
  232    HE   ARG  31           HE       ARG  31   0.523   2.747  14.551
  233   1HH1  ARG  31          2HH1      ARG  31  -1.988   4.686  13.063
  234   2HH1  ARG  31          1HH1      ARG  31  -3.261   4.034  14.050
  235   1HH2  ARG  31          2HH2      ARG  31  -1.137   1.889  15.855
  236   2HH2  ARG  31          1HH2      ARG  31  -2.769   2.460  15.665
  237    H    CYS  32           H        CYS  32  -1.697   1.447   7.939
  238    HA   CYS  32           HA       CYS  32  -0.757  -1.258   8.375
  239   1HB   CYS  32          2HB       CYS  32  -2.905  -0.014   6.690
  240   2HB   CYS  32          1HB       CYS  32  -2.392  -1.671   6.390
  241    H    LEU  33           H        LEU  33  -0.511   1.280   5.974
  242    HA   LEU  33           HA       LEU  33   0.883  -0.265   4.017
  243   1HB   LEU  33          2HB       LEU  33  -0.199   1.744   3.297
  244   2HB   LEU  33          1HB       LEU  33   0.624   2.699   4.513
  245    HG   LEU  33           HG       LEU  33   2.784   2.212   3.298
  246   1HD1  LEU  33          1HD1      LEU  33   1.787   0.233   2.063
  247   2HD1  LEU  33          2HD1      LEU  33   1.015   1.416   1.006
  248   3HD1  LEU  33          3HD1      LEU  33   2.775   1.348   1.119
  249   1HD2  LEU  33          1HD2      LEU  33   2.482   4.237   2.452
  250   2HD2  LEU  33          2HD2      LEU  33   1.397   3.597   1.215
  251   3HD2  LEU  33          3HD2      LEU  33   0.755   4.089   2.783
  252    H    LYS  34           H        LYS  34   2.060   2.436   5.963
  253    HA   LYS  34           HA       LYS  34   4.049   2.916   6.942
  254   1HB   LYS  34          2HB       LYS  34   4.374   1.613   8.788
  255   2HB   LYS  34          1HB       LYS  34   2.800   1.017   8.291
  256   1HG   LYS  34          2HG       LYS  34   4.785  -0.539   6.982
  257   2HG   LYS  34          1HG       LYS  34   5.199  -0.430   8.693
  258   1HD   LYS  34          2HD       LYS  34   3.305  -1.535   9.361
  259   2HD   LYS  34          1HD       LYS  34   2.374  -1.011   7.956
  260   1HE   LYS  34          2HE       LYS  34   4.260  -2.524   6.758
  261   2HE   LYS  34          1HE       LYS  34   4.132  -3.351   8.307
  262   1HZ   LYS  34          1HZ       LYS  34   1.808  -2.727   6.569
  263   2HZ   LYS  34          2HZ       LYS  34   1.807  -3.687   7.959
  264   3HZ   LYS  34          3HZ       LYS  34   2.616  -4.217   6.566
  265    H    CYS  35           H        CYS  35   6.315   1.710   7.560
  266    HA   CYS  35           HA       CYS  35   7.535   1.087   4.971
  267   1HB   CYS  35          2HB       CYS  35   8.523   2.948   6.270
  268   2HB   CYS  35          1HB       CYS  35   8.804   1.849   7.615
  269    H    SER  36           H        SER  36   8.662  -0.834   4.685
  270    HA   SER  36           HA       SER  36   7.927  -3.004   6.408
  271   1HB   SER  36          2HB       SER  36   9.983  -3.097   4.197
  272   2HB   SER  36          1HB       SER  36   8.996  -4.420   4.820
  273    HG   SER  36           HG       SER  36   7.291  -2.602   4.052
  274    H    SER  37           H        SER  37  10.275  -0.661   6.596
  275    HA   SER  37           HA       SER  37  12.017  -2.396   8.213
  276   1HB   SER  37          2HB       SER  37  13.265   0.095   7.445
  277   2HB   SER  37          1HB       SER  37  13.797  -1.556   7.152
  278    HG   SER  37           HG       SER  37  11.980  -0.031   5.590
  279    H    CYS  38           H        CYS  38  10.618   0.870   7.965
  280    HA   CYS  38           HA       CYS  38  11.385   1.530  10.676
  281   1HB   CYS  38          2HB       CYS  38   9.543   2.930   8.733
  282   2HB   CYS  38          1HB       CYS  38   9.970   3.554  10.322
  283    H    GLN  39           H        GLN  39   8.412   0.716   8.957
  284    HA   GLN  39           HA       GLN  39   6.399  -0.080   9.612
  285   1HB   GLN  39          2HB       GLN  39   7.870  -0.734  12.168
  286   2HB   GLN  39          1HB       GLN  39   6.218  -1.226  11.829
  287   1HG   GLN  39          2HG       GLN  39   6.859  -2.722  10.185
  288   2HG   GLN  39          1HG       GLN  39   8.425  -1.945   9.949
  289   1HE2  GLN  39          1HE2      GLN  39   9.608  -3.804  10.247
  290   2HE2  GLN  39          2HE2      GLN  39   9.755  -4.591  11.784
  291    H    ALA  40           H        ALA  40   7.422   2.706  10.264
  292    HA   ALA  40           HA       ALA  40   5.565   3.420  12.406
  293   1HB   ALA  40          1HB       ALA  40   8.034   4.193  12.294
  294   2HB   ALA  40          2HB       ALA  40   7.446   5.341  11.087
  295   3HB   ALA  40          3HB       ALA  40   6.787   5.366  12.725
  296    H    GLN  41           H        GLN  41   5.349   6.165  11.448
  297    HA   GLN  41           HA       GLN  41   3.172   5.748   9.580
  298   1HB   GLN  41          2HB       GLN  41   3.215   7.351  11.640
  299   2HB   GLN  41          1HB       GLN  41   4.061   8.443  10.551
  300   1HG   GLN  41          2HG       GLN  41   1.731   8.980  10.541
  301   2HG   GLN  41          1HG       GLN  41   2.161   8.285   8.981
  302   1HE2  GLN  41          1HE2      GLN  41  -0.114   8.300  11.320
  303   2HE2  GLN  41          2HE2      GLN  41  -0.833   6.744  11.046
  304    H    LEU  42           H        LEU  42   3.992   5.289   7.628
  305    HA   LEU  42           HA       LEU  42   6.284   6.381   6.464
  306   1HB   LEU  42          2HB       LEU  42   4.993   4.294   5.802
  307   2HB   LEU  42          1HB       LEU  42   3.892   5.356   4.947
  308    HG   LEU  42           HG       LEU  42   5.767   6.131   3.533
  309   1HD1  LEU  42          1HD1      LEU  42   7.298   4.171   5.210
  310   2HD1  LEU  42          2HD1      LEU  42   7.820   4.602   3.581
  311   3HD1  LEU  42          3HD1      LEU  42   7.694   5.848   4.824
  312   1HD2  LEU  42          1HD2      LEU  42   4.867   4.573   2.231
  313   2HD2  LEU  42          2HD2      LEU  42   6.170   3.511   2.764
  314   3HD2  LEU  42          3HD2      LEU  42   4.612   3.477   3.588
  315    H    GLY  43           H        GLY  43   3.054   7.621   6.676
  316   1HA   GLY  43          1HA       GLY  43   3.533   9.611   4.596
  317   2HA   GLY  43          2HA       GLY  43   2.026   9.353   5.459
  318    H    ASP  44           H        ASP  44   4.528   9.413   7.677
  319    HA   ASP  44           HA       ASP  44   3.857  12.187   8.370
  320   1HB   ASP  44          2HB       ASP  44   3.634  10.165   9.999
  321   2HB   ASP  44          1HB       ASP  44   5.380  10.329  10.170
  322    H    ILE  45           H        ILE  45   6.303  10.364   6.999
  323    HA   ILE  45           HA       ILE  45   8.373  12.335   7.696
  324    HB   ILE  45           HB       ILE  45   9.829  10.544   6.416
  325   1HG1  ILE  45          2HG1      ILE  45   8.369   8.389   7.577
  326   1HG2  ILE  45          1HG2      ILE  45  10.629   9.920   8.449
  327   2HG2  ILE  45          2HG2      ILE  45   9.614  11.266   8.965
  328   3HG2  ILE  45          3HG2      ILE  45   9.024   9.609   9.110
  329   1HD1  ILE  45          1HD1      ILE  45   9.572   9.047   5.028
  330   2HD1  ILE  45          2HD1      ILE  45   9.420   7.489   5.842
  331   3HD1  ILE  45          3HD1      ILE  45   8.091   8.105   4.858
  332    H    GLY  46           H        GLY  46   6.269  12.931   5.923
  333   1HA   GLY  46          1HA       GLY  46   6.399  14.259   3.913
  334   2HA   GLY  46          2HA       GLY  46   7.737  13.236   3.389
  335    H    THR  47           H        THR  47   6.834  12.503   1.481
  336    HA   THR  47           HA       THR  47   4.821  10.446   1.905
  337    HB   THR  47           HB       THR  47   3.980  11.433  -0.527
  338    HG1  THR  47           1HG      THR  47   4.618  13.589   1.219
  339   1HG2  THR  47          1HG2      THR  47   2.578  10.569   1.309
  340   2HG2  THR  47          2HG2      THR  47   1.953  12.078   0.644
  341   3HG2  THR  47          3HG2      THR  47   2.816  12.085   2.182
  342    H    SER  48           H        SER  48   6.096   8.789   1.385
  343    HA   SER  48           HA       SER  48   6.868   8.422  -1.354
  344   1HB   SER  48          2HB       SER  48   8.985   8.656   0.810
  345   2HB   SER  48          1HB       SER  48   9.277   7.898  -0.754
  346    HG   SER  48           HG       SER  48   8.171  10.234  -1.256
  347    H    SER  49           H        SER  49   7.002   6.285  -1.863
  348    HA   SER  49           HA       SER  49   7.224   4.288   0.232
  349   1HB   SER  49          2HB       SER  49   5.119   3.247  -1.186
  350   2HB   SER  49          1HB       SER  49   4.974   4.071   0.366
  351    HG   SER  49           HG       SER  49   4.931   6.042  -1.135
  352    H    TYR  50           H        TYR  50   8.456   2.675  -0.488
  353    HA   TYR  50           HA       TYR  50   8.942   2.566  -3.383
  354   1HB   TYR  50          2HB       TYR  50  10.667   2.176  -0.995
  355   2HB   TYR  50          1HB       TYR  50  11.035   1.227  -2.435
  356    HD1  TYR  50           1HD      TYR  50  10.908   4.578  -0.996
  357    HD2  TYR  50           2HD      TYR  50  11.795   2.292  -4.467
  358    HE1  TYR  50           1HE      TYR  50  12.056   6.517  -1.968
  359    HE2  TYR  50           2HE      TYR  50  12.959   4.227  -5.446
  360    HH   TYR  50           HH       TYR  50  13.934   6.270  -4.895
  361    H    THR  51           H        THR  51   7.681   1.067  -4.236
  362    HA   THR  51           HA       THR  51   7.276  -1.477  -2.902
  363    HB   THR  51           HB       THR  51   6.265  -0.478  -5.566
  364    HG1  THR  51           1HG      THR  51   4.577  -0.864  -3.366
  365   1HG2  THR  51          1HG2      THR  51   6.241  -3.095  -4.372
  366   2HG2  THR  51          2HG2      THR  51   5.627  -2.586  -5.945
  367   3HG2  THR  51          3HG2      THR  51   4.592  -2.484  -4.521
  368    H    LYS  52           H        LYS  52   9.036  -2.708  -2.980
  369    HA   LYS  52           HA       LYS  52   9.889  -3.737  -5.541
  370   1HB   LYS  52          2HB       LYS  52  11.441  -1.719  -4.185
  371   2HB   LYS  52          1HB       LYS  52  12.331  -3.234  -4.201
  372   1HG   LYS  52          2HG       LYS  52  12.912  -2.905  -6.306
  373   2HG   LYS  52          1HG       LYS  52  11.217  -2.808  -6.788
  374   1HD   LYS  52          2HD       LYS  52  11.263  -0.565  -6.931
  375   2HD   LYS  52          1HD       LYS  52  12.225  -0.396  -5.461
  376   1HE   LYS  52          2HE       LYS  52  14.165  -0.312  -6.594
  377   2HE   LYS  52          1HE       LYS  52  13.667  -1.561  -7.731
  378   1HZ   LYS  52          1HZ       LYS  52  13.764   1.213  -8.131
  379   2HZ   LYS  52          2HZ       LYS  52  12.136   0.728  -8.232
  380   3HZ   LYS  52          3HZ       LYS  52  13.300   0.000  -9.228
  381    H    SER  53           H        SER  53  10.350  -5.851  -5.339
  382    HA   SER  53           HA       SER  53  10.670  -7.910  -4.412
  383   1HB   SER  53          2HB       SER  53  11.653  -6.337  -2.014
  384   2HB   SER  53          1HB       SER  53  11.725  -8.097  -2.155
  385    HG   SER  53           HG       SER  53  12.791  -7.297  -4.351
  386    H    GLY  54           H        GLY  54   8.248  -6.142  -4.084
  387   1HA   GLY  54          1HA       GLY  54   6.120  -6.493  -3.233
  388   2HA   GLY  54          2HA       GLY  54   6.728  -7.906  -2.380
  389    H    MET  55           H        MET  55   8.753  -5.384  -1.750
  390    HA   MET  55           HA       MET  55   7.580  -4.986   0.890
  391   1HB   MET  55          2HB       MET  55  10.312  -4.587  -0.282
  392   2HB   MET  55          1HB       MET  55   9.861  -3.741   1.192
  393   1HG   MET  55          2HG       MET  55   9.315  -5.937   2.211
  394   2HG   MET  55          1HG       MET  55   9.945  -6.713   0.760
  395   1HE   MET  55          1HE       MET  55  12.952  -7.761   1.751
  396   2HE   MET  55          2HE       MET  55  11.795  -7.493   0.445
  397   3HE   MET  55          3HE       MET  55  13.289  -6.555   0.508
  398    H    ILE  56           H        ILE  56   7.758  -2.807   1.814
  399    HA   ILE  56           HA       ILE  56   7.507  -0.628  -0.128
  400    HB   ILE  56           HB       ILE  56   5.478  -1.182   2.052
  401   1HG1  ILE  56          2HG1      ILE  56   4.296  -0.671  -0.479
  402   1HG2  ILE  56          1HG2      ILE  56   4.766   0.935   1.995
  403   2HG2  ILE  56          2HG2      ILE  56   6.341   1.300   1.285
  404   3HG2  ILE  56          3HG2      ILE  56   4.941   1.044   0.243
  405   1HD1  ILE  56          1HD1      ILE  56   2.979  -2.291   0.224
  406   2HD1  ILE  56          2HD1      ILE  56   4.298  -3.455   0.093
  407   3HD1  ILE  56          3HD1      ILE  56   4.063  -2.555   1.592
  408    H    LEU  57           H        LEU  57   9.402   0.314   0.519
  409    HA   LEU  57           HA       LEU  57   9.711   0.881   3.393
  410   1HB   LEU  57          2HB       LEU  57  12.034   1.312   1.653
  411   2HB   LEU  57          1HB       LEU  57  11.927   0.516   3.211
  412    HG   LEU  57           HG       LEU  57  10.688  -1.061   1.109
  413   1HD1  LEU  57          1HD1      LEU  57  13.340   0.129   0.632
  414   2HD1  LEU  57          2HD1      LEU  57  13.206  -1.609   0.363
  415   3HD1  LEU  57          3HD1      LEU  57  12.150  -0.499  -0.510
  416   1HD2  LEU  57          1HD2      LEU  57  11.236  -2.548   2.664
  417   2HD2  LEU  57          2HD2      LEU  57  12.924  -2.343   2.205
  418   3HD2  LEU  57          3HD2      LEU  57  12.240  -1.367   3.503
  419    H    CYS  58           H        CYS  58  11.358   2.864   3.595
  420    HA   CYS  58           HA       CYS  58  10.014   5.120   2.348
  421   1HB   CYS  58          2HB       CYS  58  11.469   6.470   3.896
  422   2HB   CYS  58          1HB       CYS  58  10.372   5.363   4.709
  423    H    ARG  59           H        ARG  59  11.658   6.977   1.774
  424    HA   ARG  59           HA       ARG  59  13.110   6.119  -0.485
  425   1HB   ARG  59          2HB       ARG  59  12.112   8.455   0.102
  426   2HB   ARG  59          1HB       ARG  59  13.663   8.733   0.882
  427   1HG   ARG  59          2HG       ARG  59  14.378   9.438  -1.102
  428   2HG   ARG  59          1HG       ARG  59  14.364   7.744  -1.594
  429   1HD   ARG  59          2HD       ARG  59  12.992   8.467  -3.228
  430   2HD   ARG  59          1HD       ARG  59  11.762   8.402  -1.961
  431    HE   ARG  59           HE       ARG  59  12.113  10.796  -1.628
  432   1HH1  ARG  59          2HH1      ARG  59  13.350   9.343  -4.547
  433   2HH1  ARG  59          1HH1      ARG  59  13.358  10.824  -5.458
  434   1HH2  ARG  59          2HH2      ARG  59  12.093  12.770  -2.821
  435   2HH2  ARG  59          1HH2      ARG  59  12.603  12.766  -4.483
  436    H    ASN  60           H        ASN  60  14.075   6.896   2.807
  437    HA   ASN  60           HA       ASN  60  16.876   6.735   2.271
  438   1HB   ASN  60          2HB       ASN  60  16.005   8.061   4.139
  439   2HB   ASN  60          1HB       ASN  60  15.397   6.595   4.904
  440   1HD2  ASN  60          1HD2      ASN  60  16.618   6.019   6.547
  441   2HD2  ASN  60          2HD2      ASN  60  18.349   6.132   6.628
  442    H    ASP  61           H        ASP  61  14.494   4.505   3.685
  443    HA   ASP  61           HA       ASP  61  16.414   2.518   4.346
  444   1HB   ASP  61          2HB       ASP  61  13.425   2.551   4.169
  445   2HB   ASP  61          1HB       ASP  61  14.268   1.012   4.322
  446    H    TYR  62           H        TYR  62  14.738   3.312   1.436
  447    HA   TYR  62           HA       TYR  62  14.899   0.853   0.099
  448   1HB   TYR  62          2HB       TYR  62  13.584   2.581  -0.896
  449   2HB   TYR  62          1HB       TYR  62  14.955   3.691  -0.936
  450    HD1  TYR  62           1HD      TYR  62  13.803   0.425  -2.296
  451    HD2  TYR  62           2HD      TYR  62  16.258   3.853  -2.861
  452    HE1  TYR  62           1HE      TYR  62  14.400  -0.377  -4.538
  453    HE2  TYR  62           2HE      TYR  62  16.862   3.058  -5.105
  454    HH   TYR  62           HH       TYR  62  15.643   1.448  -6.873
  455    H    ILE  63           H        ILE  63  17.228   3.478   0.467
  456    HA   ILE  63           HA       ILE  63  19.187   2.401  -1.273
  457    HB   ILE  63           HB       ILE  63  19.983   4.101   1.051
  458   1HG1  ILE  63          2HG1      ILE  63  17.843   5.056   0.239
  459   1HG2  ILE  63          1HG2      ILE  63  20.807   4.764  -1.684
  460   2HG2  ILE  63          2HG2      ILE  63  21.765   4.623  -0.210
  461   3HG2  ILE  63          3HG2      ILE  63  21.320   3.176  -1.118
  462   1HD1  ILE  63          1HD1      ILE  63  17.996   6.233  -2.025
  463   2HD1  ILE  63          2HD1      ILE  63  19.241   5.042  -2.403
  464   3HD1  ILE  63          3HD1      ILE  63  17.605   4.513  -2.003
  465    H    ARG  64           H        ARG  64  18.397   1.922   2.068
  466    HA   ARG  64           HA       ARG  64  20.776   0.502   2.776
  467   1HB   ARG  64          2HB       ARG  64  19.498   1.568   4.522
  468   2HB   ARG  64          1HB       ARG  64  18.044   0.697   4.061
  469   1HG   ARG  64          2HG       ARG  64  19.621  -1.386   4.610
  470   2HG   ARG  64          1HG       ARG  64  20.361  -0.184   5.669
  471   1HD   ARG  64          2HD       ARG  64  17.412  -0.815   5.615
  472   2HD   ARG  64          1HD       ARG  64  18.560  -1.531   6.747
  473    HE   ARG  64           HE       ARG  64  18.644   1.329   6.773
  474   1HH1  ARG  64          2HH1      ARG  64  16.879  -1.443   7.985
  475   2HH1  ARG  64          1HH1      ARG  64  16.285  -0.610   9.391
  476   1HH2  ARG  64          2HH2      ARG  64  17.899   2.416   8.648
  477   2HH2  ARG  64          1HH2      ARG  64  16.882   1.575   9.783
  478    H    LEU  65           H        LEU  65  17.506  -0.373   1.793
  479    HA   LEU  65           HA       LEU  65  17.908  -3.166   2.090
  480   1HB   LEU  65          2HB       LEU  65  15.762  -1.370   1.362
  481   2HB   LEU  65          1HB       LEU  65  15.764  -2.795   0.341
  482    HG   LEU  65           HG       LEU  65  14.294  -3.111   2.251
  483   1HD1  LEU  65          1HD1      LEU  65  14.830  -5.266   2.362
  484   2HD1  LEU  65          2HD1      LEU  65  16.258  -4.863   1.406
  485   3HD1  LEU  65          3HD1      LEU  65  16.362  -4.919   3.166
  486   1HD2  LEU  65          1HD2      LEU  65  16.115  -3.402   4.389
  487   2HD2  LEU  65          2HD2      LEU  65  16.405  -1.820   3.664
  488   3HD2  LEU  65          3HD2      LEU  65  14.791  -2.249   4.231
  489    H    PHE  66           H        PHE  66  17.448  -1.203  -0.867
  490    HA   PHE  66           HA       PHE  66  18.719  -3.412  -2.347
  491   1HB   PHE  66          2HB       PHE  66  16.726  -1.453  -3.483
  492   2HB   PHE  66          1HB       PHE  66  17.269  -2.972  -4.188
  493    HD1  PHE  66           1HD      PHE  66  14.628  -1.448  -2.564
  494    HD2  PHE  66           2HD      PHE  66  16.882  -5.057  -2.525
  495    HE1  PHE  66           1HE      PHE  66  12.743  -2.610  -1.493
  496    HE2  PHE  66           2HE      PHE  66  14.999  -6.224  -1.455
  497    HZ   PHE  66           HZ       PHE  66  12.928  -4.998  -0.936
  498    H    GLY  67           H        GLY  67  18.685   0.045  -1.865
  499   1HA   GLY  67          1HA       GLY  67  20.536   1.431  -2.284
  500   2HA   GLY  67          2HA       GLY  67  21.189   0.204  -3.355
  501    H    ASN  68           H        ASN  68  20.480   0.114  -5.502
  502    HA   ASN  68           HA       ASN  68  18.567   1.959  -6.573
  503   1HB   ASN  68          2HB       ASN  68  21.239   2.896  -6.210
  504   2HB   ASN  68          1HB       ASN  68  21.001   2.644  -7.933
  505   1HD2  ASN  68          1HD2      ASN  68  19.171   3.953  -5.186
  506   2HD2  ASN  68          2HD2      ASN  68  18.634   5.376  -6.012
  507    H    SER  69           H        SER  69  18.143   1.504  -8.808
  508    HA   SER  69           HA       SER  69  19.192  -1.099  -9.623
  509   1HB   SER  69          2HB       SER  69  17.103   0.268 -11.237
  510   2HB   SER  69          1HB       SER  69  17.228  -1.424 -10.755
  511    HG   SER  69           HG       SER  69  16.343   0.793  -9.222
  512    H    GLY  70           H        GLY  70  20.814   1.345  -9.857
  513   1HA   GLY  70          1HA       GLY  70  22.483   1.911 -11.355
  514   2HA   GLY  70          2HA       GLY  70  21.725   0.862 -12.544
  515    H    ALA  71           H        ALA  71  20.271   3.590 -10.831
  516    HA   ALA  71           HA       ALA  71  19.888   4.887 -13.446
  517   1HB   ALA  71          1HB       ALA  71  18.168   4.809 -10.991
  518   2HB   ALA  71          2HB       ALA  71  17.982   6.082 -12.196
  519   3HB   ALA  71          3HB       ALA  71  17.749   4.395 -12.651
  520    H    GLY  72           H        GLY  72  19.589   7.315 -13.237
  521   1HA   GLY  72          1HA       GLY  72  20.495   8.930 -11.230
  522   2HA   GLY  72          2HA       GLY  72  21.970   8.369 -12.011
  523    H    GLY  73           H        GLY  73  22.661  10.157 -13.064
  524   1HA   GLY  73          1HA       GLY  73  20.823  11.757 -14.662
  525   2HA   GLY  73          2HA       GLY  73  22.563  11.989 -14.516
  526    H    SER  74           H        SER  74  22.796   8.998 -14.967
  527    HA   SER  74           HA       SER  74  23.324   9.042 -17.748
  528   1HB   SER  74          2HB       SER  74  23.330   6.413 -17.167
  529   2HB   SER  74          1HB       SER  74  24.660   7.484 -16.720
  530    HG   SER  74           HG       SER  74  24.148   7.267 -14.675
  531    H    GLY  75           H        GLY  75  20.589   8.157 -15.805
  532   1HA   GLY  75          1HA       GLY  75  18.574   8.344 -17.521
  533   2HA   GLY  75          2HA       GLY  75  19.251   6.789 -17.987
  534    H    GLY  76           H        GLY  76  17.197   5.883 -17.370
  535   1HA   GLY  76          1HA       GLY  76  16.999   5.531 -14.445
  536   2HA   GLY  76          2HA       GLY  76  15.581   5.623 -15.481
  537    H    HIS  77           H        HIS  77  15.265   3.521 -14.246
  538    HA   HIS  77           HA       HIS  77  15.762   1.360 -16.039
  539   1HB   HIS  77          2HB       HIS  77  17.805   1.780 -14.202
  540   2HB   HIS  77          1HB       HIS  77  16.835   0.511 -13.461
  541    HD1  HIS  77           1HD      HIS  77  18.598  -1.313 -13.861
  542    HD2  HIS  77           2HD      HIS  77  17.329   0.586 -17.337
  543    HE1  HIS  77           1HE      HIS  77  19.452  -2.727 -15.758
  544    HE2  HIS  77           2HE      HIS  77  18.549  -1.643 -17.845
  545    H    MET  78           H        MET  78  13.412   2.074 -15.553
  546    HA   MET  78           HA       MET  78  11.363   1.623 -14.705
  547   1HB   MET  78          2HB       MET  78  12.494  -0.804 -15.097
  548   2HB   MET  78          1HB       MET  78  12.175  -0.888 -13.369
  549   1HG   MET  78          2HG       MET  78  10.053  -1.347 -13.759
  550   2HG   MET  78          1HG       MET  78   9.867   0.161 -14.653
  551   1HE   MET  78          1HE       MET  78   8.460  -1.371 -17.663
  552   2HE   MET  78          2HE       MET  78   7.851  -1.618 -16.026
  553   3HE   MET  78          3HE       MET  78   8.537  -0.059 -16.487
  554    H    GLY  79           H        GLY  79  12.819   3.316 -13.194
  555   1HA   GLY  79          1HA       GLY  79  11.625   3.012 -10.602
  556   2HA   GLY  79          2HA       GLY  79  13.368   2.775 -10.567
  557    H    SER  80           H        SER  80  11.438   4.954 -12.543
  558    HA   SER  80           HA       SER  80  11.437   7.193 -12.817
  559   1HB   SER  80          2HB       SER  80  12.410   7.071  -9.965
  560   2HB   SER  80          1HB       SER  80  12.314   8.609 -10.826
  561    HG   SER  80           HG       SER  80  10.147   6.780 -10.581
  562    H    GLY  81           H        GLY  81  13.062   9.170 -12.771
  563   1HA   GLY  81          1HA       GLY  81  15.336   9.861 -13.120
  564   2HA   GLY  81          2HA       GLY  81  15.769   8.177 -13.390
  565    H    GLY  82           H        GLY  82  13.858   7.391 -15.197
  566   1HA   GLY  82          1HA       GLY  82  12.961   8.709 -17.261
  567   2HA   GLY  82          2HA       GLY  82  14.679   8.934 -17.546
  568    H    ASP  83           H        ASP  83  12.013   6.758 -17.706
  569    HA   ASP  83           HA       ASP  83  13.627   4.481 -18.496
  570   1HB   ASP  83          2HB       ASP  83  10.978   4.873 -17.562
  571   2HB   ASP  83          1HB       ASP  83  10.858   4.170 -19.170
  572    H    VAL  84           H        VAL  84  14.253   6.579 -20.086
  573    HA   VAL  84           HA       VAL  84  12.672   6.401 -22.528
  574    HB   VAL  84           HB       VAL  84  15.136   8.071 -22.409
  575   1HG1  VAL  84          1HG1      VAL  84  14.115   9.297 -24.025
  576   2HG1  VAL  84          2HG1      VAL  84  13.244   7.785 -24.272
  577   3HG1  VAL  84          3HG1      VAL  84  12.510   9.082 -23.330
  578   1HG2  VAL  84          1HG2      VAL  84  13.767   8.260 -20.201
  579   2HG2  VAL  84          2HG2      VAL  84  14.292   9.724 -21.034
  580   3HG2  VAL  84          3HG2      VAL  84  12.628   9.162 -21.202
  581    H    MET  85           H        MET  85  16.038   5.932 -21.486
  582    HA   MET  85           HA       MET  85  16.787   4.867 -24.054
  583   1HB   MET  85          2HB       MET  85  19.000   4.605 -23.134
  584   2HB   MET  85          1HB       MET  85  18.374   6.177 -22.659
  585   1HG   MET  85          2HG       MET  85  18.289   3.757 -20.882
  586   2HG   MET  85          1HG       MET  85  19.616   4.917 -20.887
  587   1HE   MET  85          1HE       MET  85  18.467   7.410 -21.505
  588   2HE   MET  85          2HE       MET  85  17.293   8.140 -20.408
  589   3HE   MET  85          3HE       MET  85  18.940   7.830 -19.859
  590    H    VAL  86           H        VAL  86  15.526   3.638 -21.121
  591    HA   VAL  86           HA       VAL  86  16.432   0.939 -21.429
  592    HB   VAL  86           HB       VAL  86  13.897   1.356 -19.976
  593   1HG1  VAL  86          1HG1      VAL  86  14.847  -0.153 -18.444
  594   2HG1  VAL  86          2HG1      VAL  86  15.407  -0.702 -20.025
  595   3HG1  VAL  86          3HG1      VAL  86  16.489   0.212 -18.976
  596   1HG2  VAL  86          1HG2      VAL  86  14.552   3.269 -18.991
  597   2HG2  VAL  86          2HG2      VAL  86  15.637   2.229 -18.068
  598   3HG2  VAL  86          3HG2      VAL  86  16.228   3.072 -19.500
  599    H    VAL  87           H        VAL  87  14.866  -0.860 -21.799
  600    HA   VAL  87           HA       VAL  87  13.300  -1.957 -23.066
  601    HB   VAL  87           HB       VAL  87  12.342   0.825 -23.715
  602   1HG1  VAL  87          1HG1      VAL  87  11.328   0.173 -25.579
  603   2HG1  VAL  87          2HG1      VAL  87  12.156  -1.379 -25.459
  604   3HG1  VAL  87          3HG1      VAL  87  10.564  -1.170 -24.730
  605   1HG2  VAL  87          1HG2      VAL  87  11.112  -1.549 -22.327
  606   2HG2  VAL  87          2HG2      VAL  87  11.628  -0.033 -21.589
  607   3HG2  VAL  87          3HG2      VAL  87  10.252  -0.053 -22.693
  608    H    GLY  88           H        GLY  88  14.677   0.892 -24.698
  609   1HA   GLY  88          1HA       GLY  88  15.287  -0.599 -27.108
  610   2HA   GLY  88          2HA       GLY  88  15.803   1.044 -26.728
  611    H    GLU  89           H        GLU  89  17.143   0.861 -24.461
  612    HA   GLU  89           HA       GLU  89  19.249  -1.152 -24.915
  613   1HB   GLU  89          2HB       GLU  89  19.772   1.303 -23.298
  614   2HB   GLU  89          1HB       GLU  89  20.888   0.333 -24.249
  615   1HG   GLU  89          2HG       GLU  89  18.839   1.674 -25.835
  616   2HG   GLU  89          1HG       GLU  89  19.903   2.769 -24.956
  617    HA   PRO  90           HA       PRO  90  17.135  -2.355 -21.085
  618   1HB   PRO  90          2HB       PRO  90  18.048  -4.935 -21.114
  619   2HB   PRO  90          1HB       PRO  90  16.630  -4.381 -22.008
  620   1HG   PRO  90          2HG       PRO  90  19.427  -4.820 -22.971
  621   2HG   PRO  90          1HG       PRO  90  17.892  -5.232 -23.760
  622   1HD   PRO  90          2HD       PRO  90  19.319  -3.064 -24.466
  623   2HD   PRO  90          1HD       PRO  90  17.545  -3.071 -24.496
  624    H    THR  91           H        THR  91  20.486  -3.316 -21.837
  625    HA   THR  91           HA       THR  91  21.139  -3.522 -19.035
  626    HB   THR  91           HB       THR  91  23.253  -3.566 -21.133
  627    HG1  THR  91           1HG      THR  91  21.105  -5.416 -20.875
  628   1HG2  THR  91          1HG2      THR  91  23.436  -4.051 -18.569
  629   2HG2  THR  91          2HG2      THR  91  24.297  -5.074 -19.722
  630   3HG2  THR  91          3HG2      THR  91  22.775  -5.625 -19.018
  631    H    LEU  92           H        LEU  92  21.106  -1.583 -18.056
  632    HA   LEU  92           HA       LEU  92  23.220   0.287 -18.724
  633   1HB   LEU  92          2HB       LEU  92  21.163   1.073 -19.944
  634   2HB   LEU  92          1HB       LEU  92  20.373   1.243 -18.389
  635    HG   LEU  92           HG       LEU  92  22.788   2.678 -18.194
  636   1HD1  LEU  92          1HD1      LEU  92  22.008   2.526 -20.899
  637   2HD1  LEU  92          2HD1      LEU  92  21.588   4.142 -20.328
  638   3HD1  LEU  92          3HD1      LEU  92  23.245   3.556 -20.175
  639   1HD2  LEU  92          1HD2      LEU  92  20.128   3.939 -18.740
  640   2HD2  LEU  92          2HD2      LEU  92  20.414   3.044 -17.246
  641   3HD2  LEU  92          3HD2      LEU  92  21.401   4.454 -17.633
  642    H    MET  93           H        MET  93  24.145   1.049 -16.898
  643    HA   MET  93           HA       MET  93  22.631   1.058 -14.411
  644   1HB   MET  93          2HB       MET  93  24.470  -1.055 -15.124
  645   2HB   MET  93          1HB       MET  93  25.020  -0.210 -13.684
  646   1HG   MET  93          2HG       MET  93  22.862  -0.594 -12.620
  647   2HG   MET  93          1HG       MET  93  22.294  -1.430 -14.064
  648   1HE   MET  93          1HE       MET  93  22.972  -4.817 -13.669
  649   2HE   MET  93          2HE       MET  93  22.522  -3.450 -14.688
  650   3HE   MET  93          3HE       MET  93  24.158  -4.103 -14.763
  651    H    GLY  94           H        GLY  94  22.930   3.211 -14.178
  652   1HA   GLY  94          1HA       GLY  94  25.583   4.385 -14.323
  653   2HA   GLY  94          2HA       GLY  94  24.089   5.217 -13.908
  654    H    GLY  95           H        GLY  95  23.214   4.872 -11.747
  655   1HA   GLY  95          1HA       GLY  95  23.453   4.031  -9.522
  656   2HA   GLY  95          2HA       GLY  95  25.177   3.848  -9.812
  657    H    GLU  96           H        GLU  96  23.317   6.712 -10.599
  658    HA   GLU  96           HA       GLU  96  24.935   8.228  -8.668
  659   1HB   GLU  96          2HB       GLU  96  23.298   9.233 -11.004
  660   2HB   GLU  96          1HB       GLU  96  24.341  10.209  -9.976
  661   1HG   GLU  96          2HG       GLU  96  26.079   9.768 -11.268
  662   2HG   GLU  96          1HG       GLU  96  25.855   8.035 -11.028
  663    H    PHE  97           H        PHE  97  22.630   6.618  -7.945
  664    HA   PHE  97           HA       PHE  97  20.698   6.664  -6.771
  665   1HB   PHE  97          2HB       PHE  97  22.058   7.951  -5.177
  666   2HB   PHE  97          1HB       PHE  97  21.633   9.444  -6.007
  667    HD1  PHE  97           1HD      PHE  97  20.621  10.545  -4.173
  668    HD2  PHE  97           2HD      PHE  97  19.262   6.682  -5.347
  669    HE1  PHE  97           1HE      PHE  97  18.639  10.807  -2.741
  670    HE2  PHE  97           2HE      PHE  97  17.279   6.945  -3.919
  671    HZ   PHE  97           HZ       PHE  97  16.966   9.008  -2.611
  672    H    GLY  98           H        GLY  98  19.814   6.691  -9.030
  673   1HA   GLY  98          1HA       GLY  98  18.226   9.140  -9.498
  674   2HA   GLY  98          2HA       GLY  98  18.677   7.988 -10.750
  675    H    ASP  99           H        ASP  99  18.016   6.113  -8.223
  676    HA   ASP  99           HA       ASP  99  15.499   5.258  -9.262
  677   1HB   ASP  99          2HB       ASP  99  17.520   4.138  -7.678
  678   2HB   ASP  99          1HB       ASP  99  16.100   4.190  -6.641
  679    H    GLU 100           H        GLU 100  14.311   7.248  -8.961
  680    HA   GLU 100           HA       GLU 100  13.496   7.826  -6.205
  681   1HB   GLU 100          2HB       GLU 100  12.255   9.296  -8.459
  682   2HB   GLU 100          1HB       GLU 100  12.837   9.896  -6.914
  683   1HG   GLU 100          2HG       GLU 100  15.099   9.049  -8.357
  684   2HG   GLU 100          1HG       GLU 100  14.095   9.973  -9.471
  685    H    ASP 101           H        ASP 101  12.881   5.349  -7.237
  686    HA   ASP 101           HA       ASP 101  10.352   5.182  -8.489
  687   1HB   ASP 101          2HB       ASP 101  12.272   3.493  -8.475
  688   2HB   ASP 101          1HB       ASP 101  11.660   2.983  -6.907
  689    H    GLU 102           H        GLU 102   9.877   6.803  -6.357
  690    HA   GLU 102           HA       GLU 102   8.390   5.094  -4.498
  691   1HB   GLU 102          2HB       GLU 102   8.040   7.415  -3.326
  692   2HB   GLU 102          1HB       GLU 102   9.533   6.515  -3.104
  693   1HG   GLU 102          2HG       GLU 102  10.660   8.283  -3.783
  694   2HG   GLU 102          1HG       GLU 102   9.903   8.129  -5.372
  695    H    ARG 103           H        ARG 103   7.123   8.160  -4.458
  696    HA   ARG 103           HA       ARG 103   5.089   8.993  -5.059
  697   1HB   ARG 103          2HB       ARG 103   5.650   7.958  -7.827
  698   2HB   ARG 103          1HB       ARG 103   4.813   9.428  -7.359
  699   1HG   ARG 103          2HG       ARG 103   7.761   8.920  -7.021
  700   2HG   ARG 103          1HG       ARG 103   7.023   9.859  -8.317
  701   1HD   ARG 103          2HD       ARG 103   7.462  10.546  -5.473
  702   2HD   ARG 103          1HD       ARG 103   7.574  11.556  -6.911
  703    HE   ARG 103           HE       ARG 103   5.032  11.455  -6.863
  704   1HH1  ARG 103          2HH1      ARG 103   6.949  11.081  -3.952
  705   2HH1  ARG 103          1HH1      ARG 103   5.805  11.914  -2.943
  706   1HH2  ARG 103          2HH2      ARG 103   3.518  12.527  -5.534
  707   2HH2  ARG 103          1HH2      ARG 103   3.863  12.770  -3.847
  708    H    LEU 104           H        LEU 104   4.858   6.416  -3.987
  709    HA   LEU 104           HA       LEU 104   2.791   5.195  -5.676
  710   1HB   LEU 104          2HB       LEU 104   4.751   4.124  -3.740
  711   2HB   LEU 104          1HB       LEU 104   3.173   3.358  -3.743
  712    HG   LEU 104           HG       LEU 104   4.179   3.679  -6.440
  713   1HD1  LEU 104          1HD1      LEU 104   6.265   3.343  -4.791
  714   2HD1  LEU 104          2HD1      LEU 104   5.783   1.661  -5.011
  715   3HD1  LEU 104          3HD1      LEU 104   6.185   2.654  -6.412
  716   1HD2  LEU 104          1HD2      LEU 104   3.714   1.092  -5.018
  717   2HD2  LEU 104          2HD2      LEU 104   2.362   2.150  -5.415
  718   3HD2  LEU 104          3HD2      LEU 104   3.393   1.519  -6.698
  719    H    ILE 105           H        ILE 105   3.309   6.897  -2.725
  720    HA   ILE 105           HA       ILE 105   0.998   6.033  -1.339
  721    HB   ILE 105           HB       ILE 105   2.816   8.387  -1.085
  722   1HG1  ILE 105          2HG1      ILE 105   1.787   6.453   0.993
  723   1HG2  ILE 105          1HG2      ILE 105   0.049   8.225   0.069
  724   2HG2  ILE 105          2HG2      ILE 105   1.338   9.097   0.900
  725   3HG2  ILE 105          3HG2      ILE 105   0.844   9.587  -0.720
  726   1HD1  ILE 105          1HD1      ILE 105   4.204   8.227   0.878
  727   2HD1  ILE 105          2HD1      ILE 105   2.889   8.253   2.055
  728   3HD1  ILE 105          3HD1      ILE 105   4.019   6.900   2.022
  729    H    THR 106           H        THR 106  -0.928   6.113  -2.176
  730    HA   THR 106           HA       THR 106  -1.767   8.513  -3.667
  731    HB   THR 106           HB       THR 106  -3.357   5.988  -3.758
  732    HG1  THR 106           1HG      THR 106  -0.797   5.882  -4.238
  733   1HG2  THR 106          1HG2      THR 106  -4.369   7.115  -5.381
  734   2HG2  THR 106          2HG2      THR 106  -2.862   7.165  -6.294
  735   3HG2  THR 106          3HG2      THR 106  -3.247   8.456  -5.159
  736    H    ARG 107           H        ARG 107  -3.253   9.769  -2.681
  737    HA   ARG 107           HA       ARG 107  -4.850   8.558  -0.528
  738   1HB   ARG 107          2HB       ARG 107  -2.734  10.033   0.085
  739   2HB   ARG 107          1HB       ARG 107  -3.860  11.350  -0.210
  740   1HG   ARG 107          2HG       ARG 107  -4.966   9.255   1.484
  741   2HG   ARG 107          1HG       ARG 107  -3.530  10.026   2.163
  742   1HD   ARG 107          2HD       ARG 107  -5.563  11.817   0.978
  743   2HD   ARG 107          1HD       ARG 107  -6.012  10.997   2.473
  744    HE   ARG 107           HE       ARG 107  -3.657  11.967   3.171
  745   1HH1  ARG 107          2HH1      ARG 107  -6.182  13.532   1.309
  746   2HH1  ARG 107          1HH1      ARG 107  -5.841  15.108   1.942
  747   1HH2  ARG 107          2HH2      ARG 107  -3.220  14.045   4.017
  748   2HH2  ARG 107          1HH2      ARG 107  -4.143  15.411   3.456
  749    H    LEU 108           H        LEU 108  -6.920   8.823  -0.882
  750    HA   LEU 108           HA       LEU 108  -7.882  11.385  -1.868
  751   1HB   LEU 108          2HB       LEU 108  -7.626   9.501  -3.726
  752   2HB   LEU 108          1HB       LEU 108  -9.156   8.967  -3.052
  753    HG   LEU 108           HG       LEU 108  -9.881  11.449  -3.401
  754   1HD1  LEU 108          1HD1      LEU 108  -8.757  12.317  -5.518
  755   2HD1  LEU 108          2HD1      LEU 108  -7.876  12.494  -4.001
  756   3HD1  LEU 108          3HD1      LEU 108  -7.441  11.210  -5.128
  757   1HD2  LEU 108          1HD2      LEU 108 -11.110  10.603  -5.054
  758   2HD2  LEU 108          2HD2      LEU 108  -9.691  10.276  -6.047
  759   3HD2  LEU 108          3HD2      LEU 108 -10.199   9.110  -4.826
  760    H    GLU 109           H        GLU 109  -8.931  11.928  -0.094
  761    HA   GLU 109           HA       GLU 109 -10.430  10.006   1.441
  762   1HB   GLU 109          2HB       GLU 109 -10.147  13.005   1.707
  763   2HB   GLU 109          1HB       GLU 109 -10.975  11.969   2.862
  764   1HG   GLU 109          2HG       GLU 109  -9.010  10.991   3.592
  765   2HG   GLU 109          1HG       GLU 109  -8.127  11.441   2.134
  766    H    ASN 110           H        ASN 110 -12.707  10.442   2.037
  767    HA   ASN 110           HA       ASN 110 -14.310  10.922  -0.307
  768   1HB   ASN 110          2HB       ASN 110 -14.737   9.489   1.992
  769   2HB   ASN 110          1HB       ASN 110 -15.690  10.941   2.292
  770   1HD2  ASN 110          1HD2      ASN 110 -15.578   7.953   0.774
  771   2HD2  ASN 110          2HD2      ASN 110 -17.012   8.103  -0.195
  772    H    THR 111           H        THR 111 -15.075  12.799  -0.955
  773    HA   THR 111           HA       THR 111 -15.687  14.987  -1.024
  774    HB   THR 111           HB       THR 111 -15.320  15.461   1.900
  775    HG1  THR 111           1HG      THR 111 -16.469  13.660   2.208
  776   1HG2  THR 111          1HG2      THR 111 -16.140  17.321   0.725
  777   2HG2  THR 111          2HG2      THR 111 -17.572  16.604   1.465
  778   3HG2  THR 111          3HG2      THR 111 -17.235  16.336  -0.246
  779    H    GLN 112           H        GLN 112 -12.865  13.873  -0.864
  780    HA   GLN 112           HA       GLN 112 -11.364  16.242  -0.041
  781   1HB   GLN 112          2HB       GLN 112 -10.630  13.750   0.270
  782   2HB   GLN 112          1HB       GLN 112 -10.158  13.863  -1.421
  783   1HG   GLN 112          2HG       GLN 112  -8.981  16.080  -0.457
  784   2HG   GLN 112          1HG       GLN 112  -8.932  15.052   0.974
  785   1HE2  GLN 112          1HE2      GLN 112  -7.445  15.838  -1.916
  786   2HE2  GLN 112          2HE2      GLN 112  -6.357  14.490  -2.031
  787    H    PHE 113           H        PHE 113 -13.041  16.997  -1.918
  788    HA   PHE 113           HA       PHE 113 -11.656  16.910  -4.501
  789   1HB   PHE 113          2HB       PHE 113 -14.279  18.302  -4.025
  790   2HB   PHE 113          1HB       PHE 113 -13.654  17.606  -5.515
  791    HD1  PHE 113           1HD      PHE 113 -13.108  14.925  -5.131
  792    HD2  PHE 113           2HD      PHE 113 -16.111  17.234  -3.193
  793    HE1  PHE 113           1HE      PHE 113 -14.413  12.879  -4.720
  794    HE2  PHE 113           2HE      PHE 113 -17.418  15.194  -2.776
  795    HZ   PHE 113           HZ       PHE 113 -16.569  13.011  -3.541
  796    H    ASP 114           H        ASP 114 -10.018  18.299  -4.378
  797    HA   ASP 114           HA       ASP 114  -8.915  20.294  -4.416
  798   1HB   ASP 114          2HB       ASP 114 -10.659  21.526  -5.432
  799   2HB   ASP 114          1HB       ASP 114 -11.675  21.427  -4.001
  800    H    ALA 115           H        ALA 115 -11.397  20.596  -1.895
  801    HA   ALA 115           HA       ALA 115  -9.392  21.293   0.085
  802   1HB   ALA 115          1HB       ALA 115 -11.740  20.869   1.453
  803   2HB   ALA 115          2HB       ALA 115 -11.179  22.417   0.822
  804   3HB   ALA 115          3HB       ALA 115 -12.295  21.432  -0.124
  805    H    ALA 116           H        ALA 116  -8.515  19.932   1.535
  806    HA   ALA 116           HA       ALA 116  -9.102  17.089   1.244
  807   1HB   ALA 116          1HB       ALA 116  -6.926  18.498   2.785
  808   2HB   ALA 116          2HB       ALA 116  -7.071  16.753   2.576
  809   3HB   ALA 116          3HB       ALA 116  -6.773  17.787   1.180
  810    H    ASN 117           H        ASN 117  -9.017  15.770   3.335
  811    HA   ASN 117           HA       ASN 117 -10.038  15.153   5.265
  812   1HB   ASN 117          2HB       ASN 117  -8.571  17.294   5.959
  813   2HB   ASN 117          1HB       ASN 117 -10.171  17.928   6.330
  814   1HD2  ASN 117          1HD2      ASN 117 -11.489  16.721   7.823
  815   2HD2  ASN 117          2HD2      ASN 117 -10.730  15.781   9.067
  816    H    GLY 118           H        GLY 118 -11.803  15.055   3.515
  817   1HA   GLY 118          1HA       GLY 118 -13.845  16.958   3.375
  818   2HA   GLY 118          2HA       GLY 118 -14.005  15.269   2.923
  819    H    ILE 119           H        ILE 119 -15.434  17.513   4.658
  820    HA   ILE 119           HA       ILE 119 -16.885  17.591   6.387
  821    HB   ILE 119           HB       ILE 119 -17.006  14.584   6.368
  822   1HG1  ILE 119          2HG1      ILE 119 -18.669  16.326   4.554
  823   1HG2  ILE 119          1HG2      ILE 119 -18.320  15.460   8.093
  824   2HG2  ILE 119          2HG2      ILE 119 -18.883  16.805   7.103
  825   3HG2  ILE 119          3HG2      ILE 119 -19.462  15.172   6.782
  826   1HD1  ILE 119          1HD1      ILE 119 -18.078  13.731   3.542
  827   2HD1  ILE 119          2HD1      ILE 119 -18.716  13.590   5.181
  828   3HD1  ILE 119          3HD1      ILE 119 -19.641  14.443   3.945
  829    H    ASP 120           H        ASP 120 -14.933  18.280   7.576
  830    HA   ASP 120           HA       ASP 120 -13.596  16.470   9.339
  831   1HB   ASP 120          2HB       ASP 120 -12.889  18.842   8.464
  832   2HB   ASP 120          1HB       ASP 120 -13.789  19.417   9.861
  833    H    ASP 121           H        ASP 121 -14.549  15.509  11.011
  834    HA   ASP 121           HA       ASP 121 -16.638  16.995  12.475
  835   1HB   ASP 121          2HB       ASP 121 -17.728  15.227  11.304
  836   2HB   ASP 121          1HB       ASP 121 -16.487  14.065  11.763
  837    H    GLU 122           H        GLU 122 -16.236  17.372  14.526
  838    HA   GLU 122           HA       GLU 122 -15.085  15.428  16.255
  839   1HB   GLU 122          2HB       GLU 122 -13.043  16.421  15.127
  840   2HB   GLU 122          1HB       GLU 122 -13.454  17.947  15.896
  841   1HG   GLU 122          2HG       GLU 122 -11.853  17.022  17.298
  842   2HG   GLU 122          1HG       GLU 122 -13.379  16.648  18.097
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -20.936   9.706  -5.980
    2   2H    GLY   1          2H        GLY   1 -21.926  11.062  -5.726
    3   3H    GLY   1          3H        GLY   1 -22.604   9.511  -5.744
    4   1HA   GLY   1          2HA       GLY   1 -21.469  10.944  -3.580
    5   2HA   GLY   1          1HA       GLY   1 -22.388   9.444  -3.557
    6    H    SER   2           H        SER   2 -20.260   9.899  -1.816
    7    HA   SER   2           HA       SER   2 -17.844   8.734  -2.818
    8   1HB   SER   2          2HB       SER   2 -18.345   8.648   0.091
    9   2HB   SER   2          1HB       SER   2 -16.975   9.315  -0.798
   10    HG   SER   2           HG       SER   2 -18.353  11.102  -1.353
   11    H    LEU   3           H        LEU   3 -18.740   6.832  -3.802
   12    HA   LEU   3           HA       LEU   3 -19.870   4.791  -2.070
   13   1HB   LEU   3          2HB       LEU   3 -19.617   5.232  -4.991
   14   2HB   LEU   3          1HB       LEU   3 -19.648   3.565  -4.451
   15    HG   LEU   3           HG       LEU   3 -21.778   5.598  -3.791
   16   1HD1  LEU   3          1HD1      LEU   3 -22.184   3.327  -5.678
   17   2HD1  LEU   3          2HD1      LEU   3 -23.031   4.872  -5.570
   18   3HD1  LEU   3          3HD1      LEU   3 -21.411   4.802  -6.262
   19   1HD2  LEU   3          1HD2      LEU   3 -21.562   3.779  -2.171
   20   2HD2  LEU   3          2HD2      LEU   3 -23.062   3.650  -3.090
   21   3HD2  LEU   3          3HD2      LEU   3 -21.698   2.601  -3.476
   22    H    SER   4           H        SER   4 -16.882   5.800  -2.506
   23    HA   SER   4           HA       SER   4 -15.429   3.463  -3.158
   24   1HB   SER   4          2HB       SER   4 -14.072   5.389  -1.419
   25   2HB   SER   4          1HB       SER   4 -13.663   4.863  -3.055
   26    HG   SER   4           HG       SER   4 -14.775   6.481  -3.879
   27    H    TRP   5           H        TRP   5 -16.097   1.733  -1.900
   28    HA   TRP   5           HA       TRP   5 -16.177   1.964   0.973
   29   1HB   TRP   5          2HB       TRP   5 -16.868  -0.336   0.999
   30   2HB   TRP   5          1HB       TRP   5 -17.721   0.459  -0.317
   31    HD1  TRP   5           HD       TRP   5 -16.858  -0.147  -2.852
   32    HE1  TRP   5           1HE      TRP   5 -15.754  -2.288  -3.758
   33    HE3  TRP   5           3HE      TRP   5 -15.376  -2.230   1.574
   34    HZ2  TRP   5           2HZ      TRP   5 -14.445  -4.565  -2.726
   35    HZ3  TRP   5           3HZ      TRP   5 -14.210  -4.395   1.527
   36    HH2  TRP   5           HH       TRP   5 -13.757  -5.536  -0.581
   37    H    LYS   6           H        LYS   6 -14.116   0.597  -1.488
   38    HA   LYS   6           HA       LYS   6 -12.053  -0.270  -1.558
   39   1HB   LYS   6          2HB       LYS   6 -10.312   1.142  -0.692
   40   2HB   LYS   6          1HB       LYS   6 -11.616   2.112  -1.352
   41   1HG   LYS   6          2HG       LYS   6 -12.068   1.736   1.437
   42   2HG   LYS   6          1HG       LYS   6 -10.412   2.291   1.181
   43   1HD   LYS   6          2HD       LYS   6 -11.117   4.233   0.068
   44   2HD   LYS   6          1HD       LYS   6 -12.750   3.608  -0.166
   45   1HE   LYS   6          2HE       LYS   6 -11.633   4.070   2.579
   46   2HE   LYS   6          1HE       LYS   6 -12.363   5.385   1.656
   47   1HZ   LYS   6          1HZ       LYS   6 -14.384   4.012   1.466
   48   2HZ   LYS   6          2HZ       LYS   6 -14.010   4.402   3.072
   49   3HZ   LYS   6          3HZ       LYS   6 -13.676   2.848   2.476
   50    H    ARG   7           H        ARG   7 -10.612  -1.713  -0.828
   51    HA   ARG   7           HA       ARG   7 -10.971  -2.601   1.954
   52   1HB   ARG   7          2HB       ARG   7 -10.899  -4.845   1.333
   53   2HB   ARG   7          1HB       ARG   7 -11.878  -4.113   0.071
   54   1HG   ARG   7          2HG       ARG   7 -10.445  -4.711  -1.520
   55   2HG   ARG   7          1HG       ARG   7  -9.058  -4.128  -0.601
   56   1HD   ARG   7          2HD       ARG   7 -10.163  -6.832  -0.847
   57   2HD   ARG   7          1HD       ARG   7  -8.513  -6.310  -0.512
   58    HE   ARG   7           HE       ARG   7 -10.355  -5.950   1.687
   59   1HH1  ARG   7          2HH1      ARG   7  -8.033  -8.065   0.143
   60   2HH1  ARG   7          1HH1      ARG   7  -7.817  -9.062   1.551
   61   1HH2  ARG   7          2HH2      ARG   7 -10.084  -7.272   3.532
   62   2HH2  ARG   7          1HH2      ARG   7  -8.968  -8.606   3.478
   63    H    CYS   8           H        CYS   8  -9.185  -3.046   3.125
   64    HA   CYS   8           HA       CYS   8  -6.752  -1.870   2.173
   65   1HB   CYS   8          2HB       CYS   8  -7.604  -1.334   4.383
   66   2HB   CYS   8          1HB       CYS   8  -7.541  -3.027   4.847
   67    H    ALA   9           H        ALA   9  -4.897  -2.810   1.723
   68    HA   ALA   9           HA       ALA   9  -4.717  -5.745   1.875
   69   1HB   ALA   9          1HB       ALA   9  -2.625  -5.136   0.357
   70   2HB   ALA   9          2HB       ALA   9  -4.248  -5.315  -0.314
   71   3HB   ALA   9          3HB       ALA   9  -3.606  -3.707   0.025
   72    H    GLY  10           H        GLY  10  -4.013  -3.170   3.674
   73   1HA   GLY  10          1HA       GLY  10  -1.250  -3.758   4.331
   74   2HA   GLY  10          2HA       GLY  10  -2.277  -2.553   5.096
   75    H    CYS  11           H        CYS  11  -4.403  -4.048   5.938
   76    HA   CYS  11           HA       CYS  11  -3.125  -5.851   7.874
   77   1HB   CYS  11          2HB       CYS  11  -5.226  -5.541   9.227
   78   2HB   CYS  11          1HB       CYS  11  -4.249  -4.092   9.043
   79    H    GLY  12           H        GLY  12  -6.531  -5.720   7.023
   80   1HA   GLY  12          1HA       GLY  12  -6.682  -7.656   5.072
   81   2HA   GLY  12          2HA       GLY  12  -6.607  -8.550   6.581
   82    H    GLY  13           H        GLY  13  -8.326  -5.618   5.435
   83   1HA   GLY  13          1HA       GLY  13 -10.842  -6.942   5.685
   84   2HA   GLY  13          2HA       GLY  13 -10.562  -5.756   6.956
   85    H    LYS  14           H        LYS  14 -12.173  -4.456   6.251
   86    HA   LYS  14           HA       LYS  14 -11.877  -3.173   3.628
   87   1HB   LYS  14          2HB       LYS  14 -14.183  -2.940   5.567
   88   2HB   LYS  14          1HB       LYS  14 -14.135  -2.343   3.915
   89   1HG   LYS  14          2HG       LYS  14 -14.195  -4.531   3.024
   90   2HG   LYS  14          1HG       LYS  14 -13.886  -5.256   4.604
   91   1HD   LYS  14          2HD       LYS  14 -16.209  -3.565   4.712
   92   2HD   LYS  14          1HD       LYS  14 -16.370  -4.749   3.413
   93   1HE   LYS  14          2HE       LYS  14 -17.018  -6.192   4.981
   94   2HE   LYS  14          1HE       LYS  14 -15.336  -6.219   5.506
   95   1HZ   LYS  14          1HZ       LYS  14 -16.580  -5.753   7.410
   96   2HZ   LYS  14          2HZ       LYS  14 -17.570  -4.630   6.615
   97   3HZ   LYS  14          3HZ       LYS  14 -15.952  -4.247   6.945
   98    H    ILE  15           H        ILE  15 -12.026  -0.843   3.514
   99    HA   ILE  15           HA       ILE  15 -10.895   0.426   5.907
  100    HB   ILE  15           HB       ILE  15 -11.033   1.888   3.325
  101   1HG1  ILE  15          2HG1      ILE  15  -9.168  -0.425   3.887
  102   1HG2  ILE  15          1HG2      ILE  15  -8.971   2.851   4.115
  103   2HG2  ILE  15          2HG2      ILE  15 -10.169   2.891   5.412
  104   3HG2  ILE  15          3HG2      ILE  15  -8.888   1.676   5.431
  105   1HD1  ILE  15          1HD1      ILE  15  -8.236   0.314   1.569
  106   2HD1  ILE  15          2HD1      ILE  15  -8.771   1.913   2.093
  107   3HD1  ILE  15          3HD1      ILE  15  -7.598   1.016   3.057
  108    H    ALA  16           H        ALA  16 -12.705   0.843   7.093
  109    HA   ALA  16           HA       ALA  16 -14.889   2.367   5.877
  110   1HB   ALA  16          1HB       ALA  16 -16.080   1.998   7.953
  111   2HB   ALA  16          2HB       ALA  16 -15.439   0.466   7.356
  112   3HB   ALA  16          3HB       ALA  16 -14.637   1.299   8.690
  113    H    ASP  17           H        ASP  17 -12.194   3.417   6.271
  114    HA   ASP  17           HA       ASP  17 -12.482   5.368   8.414
  115   1HB   ASP  17          2HB       ASP  17 -10.233   4.316   6.777
  116   2HB   ASP  17          1HB       ASP  17 -10.095   5.964   7.383
  117    H    ARG  18           H        ARG  18 -12.190   7.604   8.058
  118    HA   ARG  18           HA       ARG  18 -13.447   8.597   5.658
  119   1HB   ARG  18          2HB       ARG  18 -13.725   9.533   8.019
  120   2HB   ARG  18          1HB       ARG  18 -12.114  10.212   7.837
  121   1HG   ARG  18          2HG       ARG  18 -13.254  12.006   7.128
  122   2HG   ARG  18          1HG       ARG  18 -13.261  11.133   5.593
  123   1HD   ARG  18          2HD       ARG  18 -15.465  10.641   5.731
  124   2HD   ARG  18          1HD       ARG  18 -15.422  10.466   7.484
  125    HE   ARG  18           HE       ARG  18 -15.102  13.119   7.145
  126   1HH1  ARG  18          2HH1      ARG  18 -17.435  10.840   5.870
  127   2HH1  ARG  18          1HH1      ARG  18 -18.727  12.009   5.800
  128   1HH2  ARG  18          2HH2      ARG  18 -16.779  14.657   7.051
  129   2HH2  ARG  18          1HH2      ARG  18 -18.352  14.187   6.457
  130    H    PHE  19           H        PHE  19 -10.302   8.056   6.858
  131    HA   PHE  19           HA       PHE  19  -9.106   9.419   4.535
  132   1HB   PHE  19          2HB       PHE  19  -7.819   9.095   7.249
  133   2HB   PHE  19          1HB       PHE  19  -7.220  10.056   5.896
  134    HD1  PHE  19           1HD      PHE  19  -9.238  10.008   8.843
  135    HD2  PHE  19           2HD      PHE  19  -8.571  12.079   5.188
  136    HE1  PHE  19           1HE      PHE  19 -10.449  11.956   9.730
  137    HE2  PHE  19           2HE      PHE  19  -9.776  14.031   6.070
  138    HZ   PHE  19           HZ       PHE  19 -10.724  13.966   8.341
  139    H    LEU  20           H        LEU  20  -7.920   8.099   3.266
  140    HA   LEU  20           HA       LEU  20  -6.614   5.782   4.387
  141   1HB   LEU  20          2HB       LEU  20  -7.708   4.113   3.148
  142   2HB   LEU  20          1HB       LEU  20  -8.962   5.064   3.901
  143    HG   LEU  20           HG       LEU  20  -9.916   4.785   1.869
  144   1HD1  LEU  20          1HD1      LEU  20 -10.133   6.896   1.287
  145   2HD1  LEU  20          2HD1      LEU  20  -8.567   7.294   1.996
  146   3HD1  LEU  20          3HD1      LEU  20  -8.664   6.754   0.318
  147   1HD2  LEU  20          1HD2      LEU  20  -8.406   3.329   0.864
  148   2HD2  LEU  20          2HD2      LEU  20  -8.552   4.669  -0.274
  149   3HD2  LEU  20          3HD2      LEU  20  -7.139   4.553   0.777
  150    H    LEU  21           H        LEU  21  -5.598   4.467   2.438
  151    HA   LEU  21           HA       LEU  21  -4.492   6.429   0.542
  152   1HB   LEU  21          2HB       LEU  21  -3.123   5.448   2.678
  153   2HB   LEU  21          1HB       LEU  21  -2.707   4.269   1.451
  154    HG   LEU  21           HG       LEU  21  -2.432   7.030   0.532
  155   1HD1  LEU  21          1HD1      LEU  21  -1.468   6.383   3.149
  156   2HD1  LEU  21          2HD1      LEU  21  -0.106   6.650   2.058
  157   3HD1  LEU  21          3HD1      LEU  21  -1.340   7.897   2.254
  158   1HD2  LEU  21          1HD2      LEU  21  -1.628   4.806  -0.494
  159   2HD2  LEU  21          2HD2      LEU  21  -0.540   6.195  -0.527
  160   3HD2  LEU  21          3HD2      LEU  21  -0.309   4.923   0.674
  161    H    TYR  22           H        TYR  22  -3.762   5.594  -1.433
  162    HA   TYR  22           HA       TYR  22  -4.566   2.827  -2.041
  163   1HB   TYR  22          2HB       TYR  22  -4.611   4.943  -4.170
  164   2HB   TYR  22          1HB       TYR  22  -5.467   3.412  -4.116
  165    HD1  TYR  22           1HD      TYR  22  -7.678   3.284  -3.276
  166    HD2  TYR  22           2HD      TYR  22  -5.446   6.874  -2.752
  167    HE1  TYR  22           1HE      TYR  22  -9.729   4.457  -2.606
  168    HE2  TYR  22           2HE      TYR  22  -7.493   8.049  -2.079
  169    HH   TYR  22           HH       TYR  22  -9.663   7.799  -1.473
  170    H    ALA  23           H        ALA  23  -2.919   1.630  -2.873
  171    HA   ALA  23           HA       ALA  23  -0.733   2.941  -4.266
  172   1HB   ALA  23          1HB       ALA  23   0.418   3.227  -2.355
  173   2HB   ALA  23          2HB       ALA  23  -0.536   2.030  -1.479
  174   3HB   ALA  23          3HB       ALA  23   0.778   1.510  -2.536
  175    H    MET  24           H        MET  24  -0.037   1.704  -5.864
  176    HA   MET  24           HA       MET  24   0.424  -0.074  -7.187
  177   1HB   MET  24          2HB       MET  24   0.928  -1.026  -4.463
  178   2HB   MET  24          1HB       MET  24   0.596  -2.318  -5.607
  179   1HG   MET  24          2HG       MET  24   2.478  -0.330  -6.610
  180   2HG   MET  24          1HG       MET  24   3.027  -1.161  -5.156
  181   1HE   MET  24          1HE       MET  24   1.995  -3.724  -5.044
  182   2HE   MET  24          2HE       MET  24   2.552  -4.894  -6.242
  183   3HE   MET  24          3HE       MET  24   3.721  -4.015  -5.260
  184    H    ASP  25           H        ASP  25  -2.247   0.582  -7.049
  185    HA   ASP  25           HA       ASP  25  -4.306  -0.177  -7.637
  186   1HB   ASP  25          2HB       ASP  25  -2.517  -2.296  -8.595
  187   2HB   ASP  25          1HB       ASP  25  -4.155  -2.851  -8.271
  188    H    SER  26           H        SER  26  -3.114  -0.608  -4.900
  189    HA   SER  26           HA       SER  26  -5.283  -2.329  -3.935
  190   1HB   SER  26          2HB       SER  26  -2.902  -2.326  -2.210
  191   2HB   SER  26          1HB       SER  26  -3.919  -3.674  -2.720
  192    HG   SER  26           HG       SER  26  -2.443  -2.665  -4.774
  193    H    TYR  27           H        TYR  27  -5.999  -1.758  -1.776
  194    HA   TYR  27           HA       TYR  27  -5.457   1.082  -1.234
  195   1HB   TYR  27          2HB       TYR  27  -7.915  -0.435  -0.364
  196   2HB   TYR  27          1HB       TYR  27  -7.675   1.309  -0.412
  197    HD1  TYR  27           1HD      TYR  27  -9.666  -0.896  -1.802
  198    HD2  TYR  27           2HD      TYR  27  -6.587   1.742  -3.109
  199    HE1  TYR  27           1HE      TYR  27 -10.674  -0.833  -4.041
  200    HE2  TYR  27           2HE      TYR  27  -7.596   1.810  -5.348
  201    HH   TYR  27           HH       TYR  27  -9.286  -0.061  -6.671
  202    H    TRP  28           H        TRP  28  -5.368   1.755   0.958
  203    HA   TRP  28           HA       TRP  28  -4.664  -0.343   2.892
  204   1HB   TRP  28          2HB       TRP  28  -2.947   2.094   2.388
  205   2HB   TRP  28          1HB       TRP  28  -2.593   0.752   3.461
  206    HD1  TRP  28           HD       TRP  28  -2.995   1.361  -0.363
  207    HE1  TRP  28           1HE      TRP  28  -1.336  -0.187  -1.580
  208    HE3  TRP  28           3HE      TRP  28  -1.114  -1.156   3.676
  209    HZ2  TRP  28           2HZ      TRP  28   0.545  -2.172  -0.912
  210    HZ3  TRP  28           3HZ      TRP  28   0.620  -2.859   3.296
  211    HH2  TRP  28           HH       TRP  28   1.427  -3.361   1.046
  212    H    HIS  29           H        HIS  29  -4.352   0.548   5.074
  213    HA   HIS  29           HA       HIS  29  -6.241   2.688   5.701
  214   1HB   HIS  29          2HB       HIS  29  -4.717   0.662   7.295
  215   2HB   HIS  29          1HB       HIS  29  -5.214   2.152   8.086
  216    HD2  HIS  29           2HD      HIS  29  -8.128   2.558   7.908
  217    HE1  HIS  29           1HE      HIS  29  -8.742  -1.635   7.811
  218    HE2  HIS  29           2HE      HIS  29  -9.807   0.617   8.341
  219    H    SER  30           H        SER  30  -5.420   4.399   7.247
  220    HA   SER  30           HA       SER  30  -3.218   5.784   6.170
  221   1HB   SER  30          2HB       SER  30  -3.825   6.471   8.932
  222   2HB   SER  30          1HB       SER  30  -4.016   7.439   7.470
  223    HG   SER  30           HG       SER  30  -5.994   6.840   8.681
  224    H    ARG  31           H        ARG  31  -3.609   3.739   9.027
  225    HA   ARG  31           HA       ARG  31  -0.822   4.015   9.758
  226   1HB   ARG  31          2HB       ARG  31  -2.964   3.642  11.283
  227   2HB   ARG  31          1HB       ARG  31  -2.568   1.950  11.005
  228   1HG   ARG  31          2HG       ARG  31  -0.244   3.534  11.744
  229   2HG   ARG  31          1HG       ARG  31  -1.515   3.565  12.968
  230   1HD   ARG  31          2HD       ARG  31  -1.393   1.288  13.334
  231   2HD   ARG  31          1HD       ARG  31  -0.702   0.967  11.742
  232    HE   ARG  31           HE       ARG  31   1.153   2.505  13.112
  233   1HH1  ARG  31          2HH1      ARG  31  -0.330  -0.659  13.444
  234   2HH1  ARG  31          1HH1      ARG  31   1.019  -1.332  14.313
  235   1HH2  ARG  31          2HH2      ARG  31   2.910   1.634  14.240
  236   2HH2  ARG  31          1HH2      ARG  31   2.874  -0.024  14.767
  237    H    CYS  32           H        CYS  32  -2.694   1.881   7.808
  238    HA   CYS  32           HA       CYS  32  -0.921  -0.355   8.116
  239   1HB   CYS  32          2HB       CYS  32  -3.233   0.206   6.275
  240   2HB   CYS  32          1HB       CYS  32  -2.256  -1.255   6.132
  241    H    LEU  33           H        LEU  33  -0.980   2.464   6.141
  242    HA   LEU  33           HA       LEU  33   0.916   1.361   4.230
  243   1HB   LEU  33          2HB       LEU  33  -0.866   3.418   4.027
  244   2HB   LEU  33          1HB       LEU  33   0.620   4.285   4.362
  245    HG   LEU  33           HG       LEU  33  -0.235   3.541   1.872
  246   1HD1  LEU  33          1HD1      LEU  33   1.990   4.140   1.114
  247   2HD1  LEU  33          2HD1      LEU  33   1.458   5.222   2.405
  248   3HD1  LEU  33          3HD1      LEU  33   2.620   3.937   2.750
  249   1HD2  LEU  33          1HD2      LEU  33   1.883   1.554   2.681
  250   2HD2  LEU  33          2HD2      LEU  33   0.194   1.167   2.355
  251   3HD2  LEU  33          3HD2      LEU  33   1.221   1.786   1.064
  252    H    LYS  34           H        LYS  34   2.428   0.678   5.771
  253    HA   LYS  34           HA       LYS  34   4.201   2.815   6.734
  254   1HB   LYS  34          2HB       LYS  34   4.365   1.890   8.888
  255   2HB   LYS  34          1HB       LYS  34   2.645   1.816   8.531
  256   1HG   LYS  34          2HG       LYS  34   4.060  -0.586   7.706
  257   2HG   LYS  34          1HG       LYS  34   4.216  -0.257   9.432
  258   1HD   LYS  34          2HD       LYS  34   2.041  -0.673   9.839
  259   2HD   LYS  34          1HD       LYS  34   1.508   0.071   8.330
  260   1HE   LYS  34          2HE       LYS  34   1.402  -1.898   7.294
  261   2HE   LYS  34          1HE       LYS  34   3.001  -2.370   7.871
  262   1HZ   LYS  34          1HZ       LYS  34   0.639  -2.459   9.648
  263   2HZ   LYS  34          2HZ       LYS  34   2.121  -3.276   9.804
  264   3HZ   LYS  34          3HZ       LYS  34   1.013  -3.757   8.618
  265    H    CYS  35           H        CYS  35   6.347   1.955   7.341
  266    HA   CYS  35           HA       CYS  35   7.459   0.504   5.226
  267   1HB   CYS  35          2HB       CYS  35   8.749   2.095   6.556
  268   2HB   CYS  35          1HB       CYS  35   8.586   1.071   7.977
  269    H    SER  36           H        SER  36   8.262  -1.583   5.097
  270    HA   SER  36           HA       SER  36   6.827  -3.574   6.569
  271   1HB   SER  36          2HB       SER  36   9.222  -4.223   4.895
  272   2HB   SER  36          1HB       SER  36   7.701  -5.099   5.058
  273    HG   SER  36           HG       SER  36   6.828  -3.026   4.029
  274    H    SER  37           H        SER  37   9.808  -1.919   7.004
  275    HA   SER  37           HA       SER  37  10.714  -3.961   8.911
  276   1HB   SER  37          2HB       SER  37  12.623  -1.839   8.460
  277   2HB   SER  37          1HB       SER  37  12.789  -3.571   8.177
  278    HG   SER  37           HG       SER  37  12.421  -1.584   6.397
  279    H    CYS  38           H        CYS  38  10.293  -0.437   8.610
  280    HA   CYS  38           HA       CYS  38  10.919  -0.066  11.402
  281   1HB   CYS  38          2HB       CYS  38   9.916   1.942   9.381
  282   2HB   CYS  38          1HB       CYS  38  10.623   2.309  10.950
  283    H    GLN  39           H        GLN  39   8.069  -0.223   9.436
  284    HA   GLN  39           HA       GLN  39   5.838  -0.090   9.870
  285   1HB   GLN  39          2HB       GLN  39   6.814  -0.325  12.707
  286   2HB   GLN  39          1HB       GLN  39   5.131   0.077  12.373
  287   1HG   GLN  39          2HG       GLN  39   4.936  -2.169  12.522
  288   2HG   GLN  39          1HG       GLN  39   5.327  -2.051  10.808
  289   1HE2  GLN  39          1HE2      GLN  39   6.993  -3.195  10.091
  290   2HE2  GLN  39          2HE2      GLN  39   8.205  -3.948  11.073
  291    H    ALA  40           H        ALA  40   7.760   2.091   9.573
  292    HA   ALA  40           HA       ALA  40   6.686   4.308  11.052
  293   1HB   ALA  40          1HB       ALA  40   8.830   4.896  10.776
  294   2HB   ALA  40          2HB       ALA  40   9.056   3.795   9.419
  295   3HB   ALA  40          3HB       ALA  40   8.339   5.385   9.154
  296    H    GLN  41           H        GLN  41   5.246   5.620  10.351
  297    HA   GLN  41           HA       GLN  41   3.575   4.947   8.226
  298   1HB   GLN  41          2HB       GLN  41   3.366   6.579  10.400
  299   2HB   GLN  41          1HB       GLN  41   3.428   7.753   9.091
  300   1HG   GLN  41          2HG       GLN  41   1.146   7.263   9.496
  301   2HG   GLN  41          1HG       GLN  41   1.589   6.477   7.977
  302   1HE2  GLN  41          1HE2      GLN  41   1.728   4.244   7.888
  303   2HE2  GLN  41          2HE2      GLN  41   1.081   3.224   9.127
  304    H    LEU  42           H        LEU  42   4.262   4.956   6.205
  305    HA   LEU  42           HA       LEU  42   6.198   6.705   5.160
  306   1HB   LEU  42          2HB       LEU  42   4.279   4.738   3.989
  307   2HB   LEU  42          1HB       LEU  42   5.171   5.806   2.922
  308    HG   LEU  42           HG       LEU  42   6.536   4.057   4.956
  309   1HD1  LEU  42          1HD1      LEU  42   5.363   3.348   2.347
  310   2HD1  LEU  42          2HD1      LEU  42   7.011   2.789   2.638
  311   3HD1  LEU  42          3HD1      LEU  42   5.718   2.340   3.751
  312   1HD2  LEU  42          1HD2      LEU  42   7.512   5.349   2.414
  313   2HD2  LEU  42          2HD2      LEU  42   7.810   5.945   4.046
  314   3HD2  LEU  42          3HD2      LEU  42   8.474   4.391   3.539
  315    H    GLY  43           H        GLY  43   2.799   7.016   5.552
  316   1HA   GLY  43          1HA       GLY  43   2.621   9.248   3.670
  317   2HA   GLY  43          2HA       GLY  43   1.288   8.538   4.570
  318    H    ASP  44           H        ASP  44   3.901   8.987   6.598
  319    HA   ASP  44           HA       ASP  44   2.786  11.540   7.553
  320   1HB   ASP  44          2HB       ASP  44   2.447   9.618   9.095
  321   2HB   ASP  44          1HB       ASP  44   4.194   9.427   9.193
  322    H    ILE  45           H        ILE  45   5.690   9.754   6.788
  323    HA   ILE  45           HA       ILE  45   7.418  11.964   7.546
  324    HB   ILE  45           HB       ILE  45   9.253  10.565   6.586
  325   1HG1  ILE  45          2HG1      ILE  45   7.120   8.426   6.335
  326   1HG2  ILE  45          1HG2      ILE  45   7.591   9.960   8.896
  327   2HG2  ILE  45          2HG2      ILE  45   8.545   8.578   8.352
  328   3HG2  ILE  45          3HG2      ILE  45   9.346  10.097   8.765
  329   1HD1  ILE  45          1HD1      ILE  45   9.196   7.378   6.798
  330   2HD1  ILE  45          2HD1      ILE  45   8.924   7.244   5.059
  331   3HD1  ILE  45          3HD1      ILE  45  10.054   8.443   5.686
  332    H    GLY  46           H        GLY  46   5.689  12.999   5.934
  333   1HA   GLY  46          1HA       GLY  46   5.777  14.430   4.068
  334   2HA   GLY  46          2HA       GLY  46   7.140  13.503   3.449
  335    H    THR  47           H        THR  47   6.549  12.692   1.547
  336    HA   THR  47           HA       THR  47   4.276  10.876   1.535
  337    HB   THR  47           HB       THR  47   4.653  12.892  -0.691
  338    HG1  THR  47           1HG      THR  47   3.860  13.979   1.123
  339   1HG2  THR  47          1HG2      THR  47   2.171  12.037  -1.033
  340   2HG2  THR  47          2HG2      THR  47   2.816  10.606  -0.226
  341   3HG2  THR  47          3HG2      THR  47   3.551  11.183  -1.722
  342    H    SER  48           H        SER  48   5.530   9.082   1.272
  343    HA   SER  48           HA       SER  48   6.645   8.632  -1.321
  344   1HB   SER  48          2HB       SER  48   8.505   8.763   1.064
  345   2HB   SER  48          1HB       SER  48   8.918   7.934  -0.435
  346    HG   SER  48           HG       SER  48   8.001  10.528  -0.735
  347    H    SER  49           H        SER  49   7.283   6.425  -1.636
  348    HA   SER  49           HA       SER  49   7.082   4.467   0.385
  349   1HB   SER  49          2HB       SER  49   5.116   3.370  -1.183
  350   2HB   SER  49          1HB       SER  49   4.821   4.196   0.347
  351    HG   SER  49           HG       SER  49   3.508   5.126  -1.172
  352    H    TYR  50           H        TYR  50   8.133   2.624  -0.328
  353    HA   TYR  50           HA       TYR  50   9.045   2.777  -3.122
  354   1HB   TYR  50          2HB       TYR  50  10.440   2.246  -0.553
  355   2HB   TYR  50          1HB       TYR  50  11.030   1.420  -1.993
  356    HD1  TYR  50           1HD      TYR  50  11.425   4.266  -0.049
  357    HD2  TYR  50           2HD      TYR  50  11.208   3.048  -4.112
  358    HE1  TYR  50           1HE      TYR  50  12.658   6.285  -0.712
  359    HE2  TYR  50           2HE      TYR  50  12.435   5.054  -4.796
  360    HH   TYR  50           HH       TYR  50  14.174   6.674  -3.552
  361    H    THR  51           H        THR  51   8.347   1.225  -4.371
  362    HA   THR  51           HA       THR  51   7.540  -1.327  -3.219
  363    HB   THR  51           HB       THR  51   7.179  -1.081  -6.092
  364    HG1  THR  51           1HG      THR  51   6.799   1.049  -5.975
  365   1HG2  THR  51          1HG2      THR  51   5.066  -1.205  -3.960
  366   2HG2  THR  51          2HG2      THR  51   6.041  -2.612  -4.387
  367   3HG2  THR  51          3HG2      THR  51   5.011  -1.849  -5.600
  368    H    LYS  52           H        LYS  52   9.296  -2.623  -2.962
  369    HA   LYS  52           HA       LYS  52  10.470  -3.662  -5.358
  370   1HB   LYS  52          2HB       LYS  52  11.914  -1.637  -4.018
  371   2HB   LYS  52          1HB       LYS  52  12.726  -3.156  -3.655
  372   1HG   LYS  52          2HG       LYS  52  12.833  -3.643  -6.067
  373   2HG   LYS  52          1HG       LYS  52  12.090  -2.077  -6.395
  374   1HD   LYS  52          2HD       LYS  52  14.053  -1.047  -6.220
  375   2HD   LYS  52          1HD       LYS  52  14.346  -1.770  -4.637
  376   1HE   LYS  52          2HE       LYS  52  16.119  -2.583  -5.865
  377   2HE   LYS  52          1HE       LYS  52  14.947  -3.892  -6.015
  378   1HZ   LYS  52          1HZ       LYS  52  14.359  -3.161  -8.182
  379   2HZ   LYS  52          2HZ       LYS  52  16.052  -3.238  -8.131
  380   3HZ   LYS  52          3HZ       LYS  52  15.269  -1.735  -8.036
  381    H    SER  53           H        SER  53  11.211  -5.721  -5.113
  382    HA   SER  53           HA       SER  53  11.473  -7.784  -4.206
  383   1HB   SER  53          2HB       SER  53  11.926  -6.401  -1.555
  384   2HB   SER  53          1HB       SER  53  12.505  -7.993  -2.049
  385    HG   SER  53           HG       SER  53  14.236  -6.801  -2.472
  386    H    GLY  54           H        GLY  54   8.844  -6.372  -4.178
  387   1HA   GLY  54          1HA       GLY  54   6.694  -6.937  -3.575
  388   2HA   GLY  54          2HA       GLY  54   7.343  -8.350  -2.756
  389    H    MET  55           H        MET  55   8.813  -5.466  -1.825
  390    HA   MET  55           HA       MET  55   7.254  -5.446   0.672
  391   1HB   MET  55          2HB       MET  55  10.109  -5.518   0.099
  392   2HB   MET  55          1HB       MET  55   9.690  -4.188   1.165
  393   1HG   MET  55          2HG       MET  55   8.489  -5.862   2.603
  394   2HG   MET  55          1HG       MET  55   9.221  -7.115   1.606
  395   1HE   MET  55          1HE       MET  55  12.467  -5.055   1.553
  396   2HE   MET  55          2HE       MET  55  12.911  -6.693   2.027
  397   3HE   MET  55          3HE       MET  55  11.677  -6.438   0.795
  398    H    ILE  56           H        ILE  56   7.587  -3.296   1.859
  399    HA   ILE  56           HA       ILE  56   7.484  -1.037  -0.022
  400    HB   ILE  56           HB       ILE  56   5.832  -0.940   2.466
  401   1HG1  ILE  56          2HG1      ILE  56   5.304  -3.069   1.083
  402   1HG2  ILE  56          1HG2      ILE  56   5.486   0.287  -0.263
  403   2HG2  ILE  56          2HG2      ILE  56   4.498   0.618   1.161
  404   3HG2  ILE  56          3HG2      ILE  56   6.201   1.078   1.141
  405   1HD1  ILE  56          1HD1      ILE  56   4.813  -2.832  -1.058
  406   2HD1  ILE  56          2HD1      ILE  56   3.341  -2.002  -0.556
  407   3HD1  ILE  56          3HD1      ILE  56   4.794  -1.073  -0.928
  408    H    LEU  57           H        LEU  57   9.580  -0.426   0.449
  409    HA   LEU  57           HA       LEU  57  10.425  -0.196   3.209
  410   1HB   LEU  57          2HB       LEU  57  11.810   0.310   0.587
  411   2HB   LEU  57          1HB       LEU  57  12.535   0.759   2.111
  412    HG   LEU  57           HG       LEU  57  13.524  -1.266   1.789
  413   1HD1  LEU  57          1HD1      LEU  57  12.796  -2.635   3.439
  414   2HD1  LEU  57          2HD1      LEU  57  11.821  -1.218   3.815
  415   3HD1  LEU  57          3HD1      LEU  57  11.114  -2.562   2.918
  416   1HD2  LEU  57          1HD2      LEU  57  11.018  -2.027   0.337
  417   2HD2  LEU  57          2HD2      LEU  57  12.678  -1.950  -0.262
  418   3HD2  LEU  57          3HD2      LEU  57  12.194  -3.247   0.835
  419    H    CYS  58           H        CYS  58  11.444   1.769   3.997
  420    HA   CYS  58           HA       CYS  58   9.858   4.120   3.442
  421   1HB   CYS  58          2HB       CYS  58  11.371   5.101   5.243
  422   2HB   CYS  58          1HB       CYS  58  10.357   3.752   5.746
  423    H    ARG  59           H        ARG  59  11.505   6.190   3.607
  424    HA   ARG  59           HA       ARG  59  13.123   6.021   1.190
  425   1HB   ARG  59          2HB       ARG  59  12.129   8.244   2.932
  426   2HB   ARG  59          1HB       ARG  59  13.535   8.527   1.916
  427   1HG   ARG  59          2HG       ARG  59  11.270   7.288   0.533
  428   2HG   ARG  59          1HG       ARG  59  10.958   8.907   1.158
  429   1HD   ARG  59          2HD       ARG  59  12.732   8.018  -1.020
  430   2HD   ARG  59          1HD       ARG  59  11.840   9.525  -0.828
  431    HE   ARG  59           HE       ARG  59  13.652  10.125   0.826
  432   1HH1  ARG  59          2HH1      ARG  59  14.203   7.967  -1.882
  433   2HH1  ARG  59          1HH1      ARG  59  15.899   8.317  -1.982
  434   1HH2  ARG  59          2HH2      ARG  59  15.872  10.622   0.665
  435   2HH2  ARG  59          1HH2      ARG  59  16.850   9.861  -0.546
  436    H    ASN  60           H        ASN  60  13.586   5.131   4.241
  437    HA   ASN  60           HA       ASN  60  16.368   6.081   4.376
  438   1HB   ASN  60          2HB       ASN  60  14.754   6.374   6.365
  439   2HB   ASN  60          1HB       ASN  60  14.917   4.634   6.585
  440   1HD2  ASN  60          1HD2      ASN  60  15.798   5.125   8.652
  441   2HD2  ASN  60          2HD2      ASN  60  17.462   5.593   8.798
  442    H    ASP  61           H        ASP  61  14.354   3.192   4.760
  443    HA   ASP  61           HA       ASP  61  16.513   1.368   4.922
  444   1HB   ASP  61          2HB       ASP  61  13.563   1.129   4.463
  445   2HB   ASP  61          1HB       ASP  61  14.595  -0.279   4.227
  446    H    TYR  62           H        TYR  62  14.389   2.347   2.279
  447    HA   TYR  62           HA       TYR  62  15.112   0.523   0.377
  448   1HB   TYR  62          2HB       TYR  62  13.301   2.188   0.142
  449   2HB   TYR  62          1HB       TYR  62  14.515   3.433  -0.135
  450    HD1  TYR  62           1HD      TYR  62  13.030   0.343  -1.522
  451    HD2  TYR  62           2HD      TYR  62  15.504   3.722  -2.258
  452    HE1  TYR  62           1HE      TYR  62  12.973  -0.147  -3.929
  453    HE2  TYR  62           2HE      TYR  62  15.452   3.245  -4.666
  454    HH   TYR  62           HH       TYR  62  15.083   1.016  -6.085
  455    H    ILE  63           H        ILE  63  16.688   3.625   1.031
  456    HA   ILE  63           HA       ILE  63  18.573   3.361  -1.074
  457    HB   ILE  63           HB       ILE  63  19.285   5.112   1.202
  458   1HG1  ILE  63          2HG1      ILE  63  16.785   5.207   1.148
  459   1HG2  ILE  63          1HG2      ILE  63  18.905   6.230  -1.474
  460   2HG2  ILE  63          2HG2      ILE  63  20.299   6.308  -0.394
  461   3HG2  ILE  63          3HG2      ILE  63  20.045   4.886  -1.406
  462   1HD1  ILE  63          1HD1      ILE  63  16.675   4.890  -1.410
  463   2HD1  ILE  63          2HD1      ILE  63  15.549   6.003  -0.634
  464   3HD1  ILE  63          3HD1      ILE  63  16.967   6.627  -1.474
  465    H    ARG  64           H        ARG  64  18.458   2.163   2.143
  466    HA   ARG  64           HA       ARG  64  21.319   1.637   2.257
  467   1HB   ARG  64          2HB       ARG  64  19.033   1.389   4.128
  468   2HB   ARG  64          1HB       ARG  64  20.327   0.213   4.321
  469   1HG   ARG  64          2HG       ARG  64  21.930   2.135   4.434
  470   2HG   ARG  64          1HG       ARG  64  20.529   3.208   4.486
  471   1HD   ARG  64          2HD       ARG  64  19.851   1.487   6.429
  472   2HD   ARG  64          1HD       ARG  64  21.608   1.386   6.545
  473    HE   ARG  64           HE       ARG  64  21.522   3.892   6.736
  474   1HH1  ARG  64          2HH1      ARG  64  18.823   1.894   7.714
  475   2HH1  ARG  64          1HH1      ARG  64  18.281   3.005   8.944
  476   1HH2  ARG  64          2HH2      ARG  64  20.812   5.368   8.307
  477   2HH2  ARG  64          1HH2      ARG  64  19.409   5.001   9.274
  478    H    LEU  65           H        LEU  65  18.371   0.124   1.329
  479    HA   LEU  65           HA       LEU  65  19.394  -2.565   1.331
  480   1HB   LEU  65          2HB       LEU  65  16.858  -1.324   1.137
  481   2HB   LEU  65          1HB       LEU  65  17.084  -2.239  -0.341
  482    HG   LEU  65           HG       LEU  65  15.962  -3.694   1.121
  483   1HD1  LEU  65          1HD1      LEU  65  17.462  -5.515   1.432
  484   2HD1  LEU  65          2HD1      LEU  65  17.970  -4.653  -0.021
  485   3HD1  LEU  65          3HD1      LEU  65  18.855  -4.436   1.488
  486   1HD2  LEU  65          1HD2      LEU  65  17.532  -3.995   3.407
  487   2HD2  LEU  65          2HD2      LEU  65  17.413  -2.255   3.151
  488   3HD2  LEU  65          3HD2      LEU  65  15.949  -3.229   3.292
  489    H    PHE  66           H        PHE  66  18.214  -0.427  -1.286
  490    HA   PHE  66           HA       PHE  66  20.205  -1.708  -3.050
  491   1HB   PHE  66          2HB       PHE  66  17.800  -0.642  -4.373
  492   2HB   PHE  66          1HB       PHE  66  18.668  -2.146  -4.655
  493    HD1  PHE  66           1HD      PHE  66  18.011  -4.182  -3.558
  494    HD2  PHE  66           2HD      PHE  66  16.017  -0.516  -2.721
  495    HE1  PHE  66           1HE      PHE  66  16.192  -5.421  -2.460
  496    HE2  PHE  66           2HE      PHE  66  14.198  -1.751  -1.623
  497    HZ   PHE  66           HZ       PHE  66  14.283  -4.205  -1.491
  498    H    GLY  67           H        GLY  67  18.178   1.143  -2.513
  499   1HA   GLY  67          1HA       GLY  67  18.446   3.351  -3.057
  500   2HA   GLY  67          2HA       GLY  67  20.134   3.051  -2.684
  501    H    ASN  68           H        ASN  68  20.612   4.670  -4.208
  502    HA   ASN  68           HA       ASN  68  21.626   3.777  -6.588
  503   1HB   ASN  68          2HB       ASN  68  19.254   3.567  -7.352
  504   2HB   ASN  68          1HB       ASN  68  19.059   5.302  -7.111
  505   1HD2  ASN  68          1HD2      ASN  68  19.823   2.931  -9.315
  506   2HD2  ASN  68          2HD2      ASN  68  20.574   3.921 -10.524
  507    H    SER  69           H        SER  69  19.796   6.668  -5.590
  508    HA   SER  69           HA       SER  69  22.128   8.191  -5.069
  509   1HB   SER  69          2HB       SER  69  21.388   9.942  -6.939
  510   2HB   SER  69          1HB       SER  69  22.532   8.650  -7.298
  511    HG   SER  69           HG       SER  69  20.800   7.435  -8.151
  512    H    GLY  70           H        GLY  70  21.236  10.739  -5.155
  513   1HA   GLY  70          1HA       GLY  70  18.506  10.774  -4.100
  514   2HA   GLY  70          2HA       GLY  70  19.797  11.317  -3.037
  515    H    ALA  71           H        ALA  71  18.073  13.194  -3.330
  516    HA   ALA  71           HA       ALA  71  19.152  14.963  -5.429
  517   1HB   ALA  71          1HB       ALA  71  16.321  14.528  -4.577
  518   2HB   ALA  71          2HB       ALA  71  16.818  16.089  -5.236
  519   3HB   ALA  71          3HB       ALA  71  17.003  14.624  -6.203
  520    H    GLY  72           H        GLY  72  19.080  14.401  -2.212
  521   1HA   GLY  72          1HA       GLY  72  19.987  17.040  -1.560
  522   2HA   GLY  72          2HA       GLY  72  18.386  16.717  -0.914
  523    H    GLY  73           H        GLY  73  18.371  14.302   0.072
  524   1HA   GLY  73          1HA       GLY  73  19.251  12.852   1.652
  525   2HA   GLY  73          2HA       GLY  73  20.801  13.670   1.504
  526    H    SER  74           H        SER  74  21.357  15.212   2.968
  527    HA   SER  74           HA       SER  74  19.349  15.799   5.039
  528   1HB   SER  74          2HB       SER  74  22.190  16.157   5.735
  529   2HB   SER  74          1HB       SER  74  20.886  15.416   6.660
  530    HG   SER  74           HG       SER  74  22.819  14.216   5.286
  531    H    GLY  75           H        GLY  75  20.529  17.227   2.436
  532   1HA   GLY  75          1HA       GLY  75  20.005  19.848   3.392
  533   2HA   GLY  75          2HA       GLY  75  21.737  19.606   3.226
  534    H    GLY  76           H        GLY  76  21.419  21.421   1.705
  535   1HA   GLY  76          1HA       GLY  76  21.738  22.004  -0.524
  536   2HA   GLY  76          2HA       GLY  76  21.224  20.390  -1.001
  537    H    HIS  77           H        HIS  77  19.464  20.459  -2.199
  538    HA   HIS  77           HA       HIS  77  17.384  22.429  -1.513
  539   1HB   HIS  77          2HB       HIS  77  16.595  21.983  -3.939
  540   2HB   HIS  77          1HB       HIS  77  17.985  23.027  -3.689
  541    HD1  HIS  77           1HD      HIS  77  20.356  21.992  -4.289
  542    HD2  HIS  77           2HD      HIS  77  17.057  19.733  -5.457
  543    HE1  HIS  77           1HE      HIS  77  21.217  20.359  -6.002
  544    HE2  HIS  77           2HE      HIS  77  19.222  18.973  -6.668
  545    H    MET  78           H        MET  78  15.721  21.578  -0.540
  546    HA   MET  78           HA       MET  78  14.138  20.136   0.191
  547   1HB   MET  78          2HB       MET  78  13.806  20.174  -2.443
  548   2HB   MET  78          1HB       MET  78  14.294  18.491  -2.292
  549   1HG   MET  78          2HG       MET  78  12.360  17.878  -1.333
  550   2HG   MET  78          1HG       MET  78  12.231  19.364  -0.395
  551   1HE   MET  78          1HE       MET  78  11.892  17.881  -4.057
  552   2HE   MET  78          2HE       MET  78  11.202  19.272  -4.892
  553   3HE   MET  78          3HE       MET  78  12.838  19.357  -4.244
  554    H    GLY  79           H        GLY  79  16.577  19.569   1.161
  555   1HA   GLY  79          1HA       GLY  79  17.338  16.826   0.787
  556   2HA   GLY  79          2HA       GLY  79  17.909  17.905   2.054
  557    H    SER  80           H        SER  80  15.580  15.526   1.154
  558    HA   SER  80           HA       SER  80  14.276  15.763   3.772
  559   1HB   SER  80          2HB       SER  80  13.198  13.935   1.688
  560   2HB   SER  80          1HB       SER  80  12.342  14.984   2.819
  561    HG   SER  80           HG       SER  80  13.882  16.297   0.932
  562    H    GLY  81           H        GLY  81  15.732  13.354   1.589
  563   1HA   GLY  81          1HA       GLY  81  16.645  11.288   2.029
  564   2HA   GLY  81          2HA       GLY  81  16.811  11.803   3.705
  565    H    GLY  82           H        GLY  82  15.864  10.417   5.024
  566   1HA   GLY  82          1HA       GLY  82  13.337   9.127   4.216
  567   2HA   GLY  82          2HA       GLY  82  14.323   8.671   5.603
  568    H    ASP  83           H        ASP  83  13.295  11.847   4.563
  569    HA   ASP  83           HA       ASP  83  12.401  13.606   5.642
  570   1HB   ASP  83          2HB       ASP  83  10.379  11.994   5.500
  571   2HB   ASP  83          1HB       ASP  83  10.633  11.777   7.231
  572    H    VAL  84           H        VAL  84  14.700  13.205   6.625
  573    HA   VAL  84           HA       VAL  84  14.507  12.914   9.539
  574    HB   VAL  84           HB       VAL  84  16.917  13.043   7.714
  575   1HG1  VAL  84          1HG1      VAL  84  18.249  12.527   9.727
  576   2HG1  VAL  84          2HG1      VAL  84  17.474  14.108   9.818
  577   3HG1  VAL  84          3HG1      VAL  84  16.806  12.745  10.716
  578   1HG2  VAL  84          1HG2      VAL  84  17.119  10.690   8.953
  579   2HG2  VAL  84          2HG2      VAL  84  15.365  10.871   8.999
  580   3HG2  VAL  84          3HG2      VAL  84  16.214  10.899   7.454
  581    H    MET  85           H        MET  85  15.638  15.129   7.030
  582    HA   MET  85           HA       MET  85  15.914  17.309   8.936
  583   1HB   MET  85          2HB       MET  85  16.893  16.742   6.310
  584   2HB   MET  85          1HB       MET  85  15.976  18.241   6.245
  585   1HG   MET  85          2HG       MET  85  17.616  18.338   8.549
  586   2HG   MET  85          1HG       MET  85  18.612  17.801   7.198
  587   1HE   MET  85          1HE       MET  85  18.033  20.304   4.523
  588   2HE   MET  85          2HE       MET  85  17.237  18.784   4.930
  589   3HE   MET  85          3HE       MET  85  16.342  20.301   5.028
  590    H    VAL  86           H        VAL  86  13.468  15.781   7.382
  591    HA   VAL  86           HA       VAL  86  11.255  16.156   7.159
  592    HB   VAL  86           HB       VAL  86  11.750  18.848   8.435
  593   1HG1  VAL  86          1HG1      VAL  86   9.439  19.040   8.754
  594   2HG1  VAL  86          2HG1      VAL  86   9.599  18.461   7.095
  595   3HG1  VAL  86          3HG1      VAL  86   9.156  17.339   8.381
  596   1HG2  VAL  86          1HG2      VAL  86  10.798  17.659  10.462
  597   2HG2  VAL  86          2HG2      VAL  86  11.085  16.152   9.591
  598   3HG2  VAL  86          3HG2      VAL  86  12.438  17.210   9.993
  599    H    VAL  87           H        VAL  87  10.482  16.332   5.211
  600    HA   VAL  87           HA       VAL  87  11.625  17.979   3.236
  601    HB   VAL  87           HB       VAL  87  10.561  15.923   2.590
  602   1HG1  VAL  87          1HG1      VAL  87   8.615  16.515   4.411
  603   2HG1  VAL  87          2HG1      VAL  87   7.784  16.789   2.882
  604   3HG1  VAL  87          3HG1      VAL  87   8.530  15.225   3.212
  605   1HG2  VAL  87          1HG2      VAL  87   8.847  16.891   0.883
  606   2HG2  VAL  87          2HG2      VAL  87   9.414  18.448   1.488
  607   3HG2  VAL  87          3HG2      VAL  87  10.555  17.317   0.760
  608    H    GLY  88           H        GLY  88  11.403  20.049   2.862
  609   1HA   GLY  88          1HA       GLY  88   9.429  21.627   4.224
  610   2HA   GLY  88          2HA       GLY  88  10.638  22.215   3.092
  611    H    GLU  89           H        GLU  89   7.476  20.734   3.379
  612    HA   GLU  89           HA       GLU  89   6.665  22.022   0.889
  613   1HB   GLU  89          2HB       GLU  89   7.333  19.344   0.896
  614   2HB   GLU  89          1HB       GLU  89   5.594  19.305   1.150
  615   1HG   GLU  89          2HG       GLU  89   6.651  21.036  -1.013
  616   2HG   GLU  89          1HG       GLU  89   6.651  19.290  -1.260
  617    HA   PRO  90           HA       PRO  90   3.309  23.157   3.537
  618   1HB   PRO  90          2HB       PRO  90   1.469  23.674   1.518
  619   2HB   PRO  90          1HB       PRO  90   2.670  24.816   2.127
  620   1HG   PRO  90          2HG       PRO  90   2.765  23.078  -0.301
  621   2HG   PRO  90          1HG       PRO  90   3.343  24.741  -0.084
  622   1HD   PRO  90          2HD       PRO  90   5.035  22.666  -0.109
  623   2HD   PRO  90          1HD       PRO  90   5.293  24.056   0.968
  624    H    THR  91           H        THR  91   2.965  20.676   1.101
  625    HA   THR  91           HA       THR  91   0.693  19.555   2.621
  626    HB   THR  91           HB       THR  91   0.700  18.231   0.195
  627    HG1  THR  91           1HG      THR  91   2.222  19.911  -0.525
  628   1HG2  THR  91          1HG2      THR  91  -1.116  20.259  -0.192
  629   2HG2  THR  91          2HG2      THR  91  -0.936  20.224   1.563
  630   3HG2  THR  91          3HG2      THR  91  -1.418  18.766   0.697
  631    H    LEU  92           H        LEU  92   3.842  19.351   2.396
  632    HA   LEU  92           HA       LEU  92   5.471  17.819   2.706
  633   1HB   LEU  92          2HB       LEU  92   3.110  16.297   3.786
  634   2HB   LEU  92          1HB       LEU  92   4.727  15.617   3.782
  635    HG   LEU  92           HG       LEU  92   5.031  18.138   4.944
  636   1HD1  LEU  92          1HD1      LEU  92   2.465  16.826   5.774
  637   2HD1  LEU  92          2HD1      LEU  92   3.383  17.853   6.876
  638   3HD1  LEU  92          3HD1      LEU  92   2.766  18.516   5.363
  639   1HD2  LEU  92          1HD2      LEU  92   5.165  15.309   5.744
  640   2HD2  LEU  92          2HD2      LEU  92   6.345  16.605   5.939
  641   3HD2  LEU  92          3HD2      LEU  92   4.994  16.467   7.064
  642    H    MET  93           H        MET  93   3.995  17.952   0.159
  643    HA   MET  93           HA       MET  93   4.115  15.204  -0.816
  644   1HB   MET  93          2HB       MET  93   2.473  17.352  -1.424
  645   2HB   MET  93          1HB       MET  93   3.561  17.267  -2.804
  646   1HG   MET  93          2HG       MET  93   1.847  15.027  -1.748
  647   2HG   MET  93          1HG       MET  93   1.549  15.979  -3.201
  648   1HE   MET  93          1HE       MET  93   1.155  14.317  -4.535
  649   2HE   MET  93          2HE       MET  93   2.442  14.266  -5.738
  650   3HE   MET  93          3HE       MET  93   2.058  12.826  -4.795
  651    H    GLY  94           H        GLY  94   6.513  15.454  -0.261
  652   1HA   GLY  94          1HA       GLY  94   7.906  16.383  -2.689
  653   2HA   GLY  94          2HA       GLY  94   8.605  16.551  -1.082
  654    H    GLY  95           H        GLY  95   9.586  15.093  -3.461
  655   1HA   GLY  95          1HA       GLY  95  10.004  12.520  -2.111
  656   2HA   GLY  95          2HA       GLY  95   9.421  12.513  -3.770
  657    H    GLU  96           H        GLU  96  12.004  13.858  -1.762
  658    HA   GLU  96           HA       GLU  96  13.759  14.268  -3.988
  659   1HB   GLU  96          2HB       GLU  96  14.065  15.704  -2.123
  660   2HB   GLU  96          1HB       GLU  96  14.134  14.360  -0.993
  661   1HG   GLU  96          2HG       GLU  96  16.186  14.366  -3.089
  662   2HG   GLU  96          1HG       GLU  96  16.270  15.699  -1.942
  663    H    PHE  97           H        PHE  97  14.741  12.671  -5.033
  664    HA   PHE  97           HA       PHE  97  16.117  10.571  -3.658
  665   1HB   PHE  97          2HB       PHE  97  14.739   8.768  -4.040
  666   2HB   PHE  97          1HB       PHE  97  13.539  10.017  -3.758
  667    HD1  PHE  97           1HD      PHE  97  14.091   7.281  -5.633
  668    HD2  PHE  97           2HD      PHE  97  13.144  11.398  -6.173
  669    HE1  PHE  97           1HE      PHE  97  13.051   6.759  -7.807
  670    HE2  PHE  97           2HE      PHE  97  12.111  10.882  -8.344
  671    HZ   PHE  97           HZ       PHE  97  12.062   8.562  -9.165
  672    H    GLY  98           H        GLY  98  16.859   8.874  -5.319
  673   1HA   GLY  98          1HA       GLY  98  17.068   9.956  -8.033
  674   2HA   GLY  98          2HA       GLY  98  18.565   9.593  -7.177
  675    H    ASP  99           H        ASP  99  16.113   7.587  -6.179
  676    HA   ASP  99           HA       ASP  99  17.376   5.329  -7.430
  677   1HB   ASP  99          2HB       ASP  99  14.941   4.994  -5.751
  678   2HB   ASP  99          1HB       ASP  99  16.424   4.048  -5.784
  679    H    GLU 100           H        GLU 100  14.698   3.874  -7.152
  680    HA   GLU 100           HA       GLU 100  14.070   4.269  -9.957
  681   1HB   GLU 100          2HB       GLU 100  13.859   1.970  -8.066
  682   2HB   GLU 100          1HB       GLU 100  12.902   1.969  -9.543
  683   1HG   GLU 100          2HG       GLU 100  14.652   1.410 -10.778
  684   2HG   GLU 100          1HG       GLU 100  15.643   2.685 -10.074
  685    H    ASP 101           H        ASP 101  12.164   3.674  -6.966
  686    HA   ASP 101           HA       ASP 101   9.846   4.867  -8.327
  687   1HB   ASP 101          2HB       ASP 101   9.996   2.404  -8.746
  688   2HB   ASP 101          1HB       ASP 101   9.859   2.161  -7.006
  689    H    GLU 102           H        GLU 102   9.834   6.562  -6.795
  690    HA   GLU 102           HA       GLU 102   8.941   5.740  -4.111
  691   1HB   GLU 102          2HB       GLU 102   9.172   8.248  -3.594
  692   2HB   GLU 102          1HB       GLU 102  10.643   7.298  -3.745
  693   1HG   GLU 102          2HG       GLU 102  11.226   9.102  -4.976
  694   2HG   GLU 102          1HG       GLU 102  10.507   8.109  -6.242
  695    H    ARG 103           H        ARG 103   7.563   8.127  -3.535
  696    HA   ARG 103           HA       ARG 103   5.402   8.866  -3.527
  697   1HB   ARG 103          2HB       ARG 103   6.820   9.862  -5.626
  698   2HB   ARG 103          1HB       ARG 103   5.388   9.245  -6.439
  699   1HG   ARG 103          2HG       ARG 103   4.760  11.399  -5.959
  700   2HG   ARG 103          1HG       ARG 103   4.106  10.523  -4.572
  701   1HD   ARG 103          2HD       ARG 103   5.359  11.706  -3.167
  702   2HD   ARG 103          1HD       ARG 103   6.823  11.292  -4.058
  703    HE   ARG 103           HE       ARG 103   5.178  13.685  -4.401
  704   1HH1  ARG 103          2HH1      ARG 103   8.028  11.822  -5.237
  705   2HH1  ARG 103          1HH1      ARG 103   8.731  13.101  -6.184
  706   1HH2  ARG 103          2HH2      ARG 103   6.118  15.376  -5.624
  707   2HH2  ARG 103          1HH2      ARG 103   7.660  15.123  -6.389
  708    H    LEU 104           H        LEU 104   5.211   6.157  -3.506
  709    HA   LEU 104           HA       LEU 104   3.284   5.340  -5.525
  710   1HB   LEU 104          2HB       LEU 104   4.961   3.760  -4.544
  711   2HB   LEU 104          1HB       LEU 104   4.158   3.926  -2.997
  712    HG   LEU 104           HG       LEU 104   2.063   3.049  -4.180
  713   1HD1  LEU 104          1HD1      LEU 104   2.160   2.201  -6.264
  714   2HD1  LEU 104          2HD1      LEU 104   3.480   3.356  -6.439
  715   3HD1  LEU 104          3HD1      LEU 104   3.830   1.664  -6.085
  716   1HD2  LEU 104          1HD2      LEU 104   2.563   0.937  -3.464
  717   2HD2  LEU 104          2HD2      LEU 104   4.189   0.971  -4.151
  718   3HD2  LEU 104          3HD2      LEU 104   3.843   1.846  -2.661
  719    H    ILE 105           H        ILE 105   3.232   7.322  -2.976
  720    HA   ILE 105           HA       ILE 105   0.861   6.507  -1.603
  721    HB   ILE 105           HB       ILE 105   2.155   9.229  -1.606
  722   1HG1  ILE 105          2HG1      ILE 105   3.199   6.758  -0.680
  723   1HG2  ILE 105          1HG2      ILE 105  -0.128   9.157  -0.714
  724   2HG2  ILE 105          2HG2      ILE 105   0.366   7.912   0.431
  725   3HG2  ILE 105          3HG2      ILE 105   1.058   9.532   0.535
  726   1HD1  ILE 105          1HD1      ILE 105   1.817   7.334   1.405
  727   2HD1  ILE 105          2HD1      ILE 105   3.529   6.945   1.592
  728   3HD1  ILE 105          3HD1      ILE 105   2.996   8.626   1.631
  729    H    THR 106           H        THR 106  -0.874   6.362  -2.900
  730    HA   THR 106           HA       THR 106  -1.744   8.798  -4.309
  731    HB   THR 106           HB       THR 106  -3.153   6.168  -4.560
  732    HG1  THR 106           1HG      THR 106  -0.940   5.721  -4.968
  733   1HG2  THR 106          1HG2      THR 106  -4.258   7.192  -6.199
  734   2HG2  THR 106          2HG2      THR 106  -2.758   7.716  -6.966
  735   3HG2  THR 106          3HG2      THR 106  -3.481   8.692  -5.686
  736    H    ARG 107           H        ARG 107  -3.215   9.975  -3.216
  737    HA   ARG 107           HA       ARG 107  -4.875   8.566  -1.241
  738   1HB   ARG 107          2HB       ARG 107  -4.464  10.323   0.401
  739   2HB   ARG 107          1HB       ARG 107  -2.964   9.536  -0.069
  740   1HG   ARG 107          2HG       ARG 107  -2.093  11.428  -0.862
  741   2HG   ARG 107          1HG       ARG 107  -3.593  11.884  -1.673
  742   1HD   ARG 107          2HD       ARG 107  -3.646  13.505  -0.113
  743   2HD   ARG 107          1HD       ARG 107  -4.304  12.224   0.905
  744    HE   ARG 107           HE       ARG 107  -1.403  12.544   0.872
  745   1HH1  ARG 107          2HH1      ARG 107  -4.435  13.255   2.490
  746   2HH1  ARG 107          1HH1      ARG 107  -3.702  13.458   4.058
  747   1HH2  ARG 107          2HH2      ARG 107  -0.428  12.842   2.923
  748   2HH2  ARG 107          1HH2      ARG 107  -1.418  13.245   4.297
  749    H    LEU 108           H        LEU 108  -6.885   9.276  -0.951
  750    HA   LEU 108           HA       LEU 108  -7.728  11.809  -2.085
  751   1HB   LEU 108          2HB       LEU 108  -8.137   9.409  -3.496
  752   2HB   LEU 108          1HB       LEU 108  -9.682   9.790  -2.760
  753    HG   LEU 108           HG       LEU 108  -9.143  12.194  -3.787
  754   1HD1  LEU 108          1HD1      LEU 108  -8.263  11.153  -6.206
  755   2HD1  LEU 108          2HD1      LEU 108  -7.359  12.190  -5.104
  756   3HD1  LEU 108          3HD1      LEU 108  -7.199  10.437  -4.995
  757   1HD2  LEU 108          1HD2      LEU 108 -10.140  10.685  -5.966
  758   2HD2  LEU 108          2HD2      LEU 108 -10.742   9.951  -4.478
  759   3HD2  LEU 108          3HD2      LEU 108 -11.038  11.660  -4.801
  760    H    GLU 109           H        GLU 109  -8.421  12.660  -0.250
  761    HA   GLU 109           HA       GLU 109  -9.551  11.109   1.856
  762   1HB   GLU 109          2HB       GLU 109  -9.144  14.051   1.396
  763   2HB   GLU 109          1HB       GLU 109 -10.068  13.479   2.780
  764   1HG   GLU 109          2HG       GLU 109  -8.239  12.852   3.887
  765   2HG   GLU 109          1HG       GLU 109  -7.503  12.130   2.458
  766    H    ASN 110           H        ASN 110 -11.672  11.310   2.740
  767    HA   ASN 110           HA       ASN 110 -13.670  11.025   0.799
  768   1HB   ASN 110          2HB       ASN 110 -13.713   9.988   3.069
  769   2HB   ASN 110          1HB       ASN 110 -14.075  11.571   3.748
  770   1HD2  ASN 110          1HD2      ASN 110 -16.124  12.445   3.481
  771   2HD2  ASN 110          2HD2      ASN 110 -17.462  11.530   2.865
  772    H    THR 111           H        THR 111 -13.032  13.694   3.048
  773    HA   THR 111           HA       THR 111 -14.985  15.310   1.545
  774    HB   THR 111           HB       THR 111 -14.795  16.434   4.081
  775    HG1  THR 111           1HG      THR 111 -13.680  14.521   4.774
  776   1HG2  THR 111          1HG2      THR 111 -16.854  14.340   3.526
  777   2HG2  THR 111          2HG2      THR 111 -16.790  15.772   2.497
  778   3HG2  THR 111          3HG2      THR 111 -17.043  15.947   4.234
  779    H    GLN 112           H        GLN 112 -12.542  15.557   0.491
  780    HA   GLN 112           HA       GLN 112 -11.024  17.646   1.797
  781   1HB   GLN 112          2HB       GLN 112 -10.323  17.437  -0.967
  782   2HB   GLN 112          1HB       GLN 112  -9.383  16.979   0.444
  783   1HG   GLN 112          2HG       GLN 112  -9.453  14.967  -0.545
  784   2HG   GLN 112          1HG       GLN 112 -10.993  14.856   0.305
  785   1HE2  GLN 112          1HE2      GLN 112  -9.631  14.136  -2.481
  786   2HE2  GLN 112          2HE2      GLN 112 -10.963  14.350  -3.573
  787    H    PHE 113           H        PHE 113 -12.501  17.524  -1.450
  788    HA   PHE 113           HA       PHE 113 -12.967  20.403  -1.357
  789   1HB   PHE 113          2HB       PHE 113 -13.839  18.527  -3.554
  790   2HB   PHE 113          1HB       PHE 113 -13.550  20.259  -3.657
  791    HD1  PHE 113           1HD      PHE 113 -11.024  20.891  -2.880
  792    HD2  PHE 113           2HD      PHE 113 -12.290  17.197  -4.569
  793    HE1  PHE 113           1HE      PHE 113  -8.728  20.462  -3.654
  794    HE2  PHE 113           2HE      PHE 113  -9.996  16.759  -5.343
  795    HZ   PHE 113           HZ       PHE 113  -8.213  18.392  -4.887
  796    H    ASP 114           H        ASP 114 -14.305  19.527   0.635
  797    HA   ASP 114           HA       ASP 114 -17.111  19.395  -0.216
  798   1HB   ASP 114          2HB       ASP 114 -15.892  17.117   0.397
  799   2HB   ASP 114          1HB       ASP 114 -16.219  17.652   2.040
  800    H    ALA 115           H        ALA 115 -18.228  19.056   2.290
  801    HA   ALA 115           HA       ALA 115 -18.282  21.658   3.285
  802   1HB   ALA 115          1HB       ALA 115 -19.306  20.349   5.353
  803   2HB   ALA 115          2HB       ALA 115 -20.177  20.546   3.831
  804   3HB   ALA 115          3HB       ALA 115 -19.328  19.038   4.172
  805    H    ALA 116           H        ALA 116 -16.044  19.144   3.969
  806    HA   ALA 116           HA       ALA 116 -15.264  20.164   6.551
  807   1HB   ALA 116          1HB       ALA 116 -13.298  18.488   6.072
  808   2HB   ALA 116          2HB       ALA 116 -14.908  17.909   6.499
  809   3HB   ALA 116          3HB       ALA 116 -14.392  17.912   4.812
  810    H    ASN 117           H        ASN 117 -14.689  21.121   3.408
  811    HA   ASN 117           HA       ASN 117 -12.831  23.105   4.148
  812   1HB   ASN 117          2HB       ASN 117 -11.421  20.880   3.945
  813   2HB   ASN 117          1HB       ASN 117 -11.552  21.199   2.218
  814   1HD2  ASN 117          1HD2      ASN 117 -10.012  22.398   1.366
  815   2HD2  ASN 117          2HD2      ASN 117  -9.006  23.522   2.225
  816    H    GLY 118           H        GLY 118 -15.031  23.687   3.049
  817   1HA   GLY 118          1HA       GLY 118 -14.952  25.183   0.923
  818   2HA   GLY 118          2HA       GLY 118 -14.764  23.630   0.121
  819    H    ILE 119           H        ILE 119 -16.611  23.036  -0.808
  820    HA   ILE 119           HA       ILE 119 -19.124  23.465   0.684
  821    HB   ILE 119           HB       ILE 119 -19.144  23.407  -2.305
  822   1HG1  ILE 119          2HG1      ILE 119 -19.112  26.128  -1.382
  823   1HG2  ILE 119          1HG2      ILE 119 -20.841  25.337  -0.997
  824   2HG2  ILE 119          2HG2      ILE 119 -21.272  23.975  -2.031
  825   3HG2  ILE 119          3HG2      ILE 119 -21.045  23.731  -0.299
  826   1HD1  ILE 119          1HD1      ILE 119 -17.468  24.534  -3.302
  827   2HD1  ILE 119          2HD1      ILE 119 -18.643  25.809  -3.631
  828   3HD1  ILE 119          3HD1      ILE 119 -17.081  26.212  -2.922
  829    H    ASP 120           H        ASP 120 -20.683  21.867   0.553
  830    HA   ASP 120           HA       ASP 120 -19.772  19.224  -0.253
  831   1HB   ASP 120          2HB       ASP 120 -20.982  19.023   1.716
  832   2HB   ASP 120          1HB       ASP 120 -22.103  20.305   1.283
  833    H    ASP 121           H        ASP 121 -20.315  18.241  -2.098
  834    HA   ASP 121           HA       ASP 121 -21.052  17.950  -4.226
  835   1HB   ASP 121          2HB       ASP 121 -23.332  18.020  -3.029
  836   2HB   ASP 121          1HB       ASP 121 -23.450  19.678  -3.607
  837    H    GLU 122           H        GLU 122 -22.875  20.783  -4.596
  838    HA   GLU 122           HA       GLU 122 -20.664  22.534  -5.165
  839   1HB   GLU 122          2HB       GLU 122 -22.223  21.233  -7.338
  840   2HB   GLU 122          1HB       GLU 122 -21.924  22.958  -7.509
  841   1HG   GLU 122          2HG       GLU 122 -19.597  21.296  -6.795
  842   2HG   GLU 122          1HG       GLU 122 -20.262  21.062  -8.410
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -20.504  -6.395  -8.728
    2   2H    GLY   1          2H        GLY   1 -21.209  -5.294  -9.805
    3   3H    GLY   1          3H        GLY   1 -21.706  -5.325  -8.186
    4   1HA   GLY   1          2HA       GLY   1 -20.321  -3.484  -8.270
    5   2HA   GLY   1          1HA       GLY   1 -19.303  -4.764  -7.618
    6    H    SER   2           H        SER   2 -18.189  -2.540  -8.814
    7    HA   SER   2           HA       SER   2 -17.114  -3.682 -11.312
    8   1HB   SER   2          2HB       SER   2 -17.086  -0.729 -10.958
    9   2HB   SER   2          1HB       SER   2 -17.312  -1.686 -12.422
   10    HG   SER   2           HG       SER   2 -19.433  -2.073 -11.826
   11    H    LEU   3           H        LEU   3 -16.260  -3.804  -8.469
   12    HA   LEU   3           HA       LEU   3 -14.362  -3.774  -7.242
   13   1HB   LEU   3          2HB       LEU   3 -13.404  -3.737 -10.028
   14   2HB   LEU   3          1HB       LEU   3 -12.237  -3.207  -8.832
   15    HG   LEU   3           HG       LEU   3 -13.709  -5.819  -8.579
   16   1HD1  LEU   3          1HD1      LEU   3 -12.437  -5.677 -10.732
   17   2HD1  LEU   3          2HD1      LEU   3 -10.974  -5.440  -9.775
   18   3HD1  LEU   3          3HD1      LEU   3 -11.891  -6.938  -9.628
   19   1HD2  LEU   3          1HD2      LEU   3 -11.861  -4.355  -6.963
   20   2HD2  LEU   3          2HD2      LEU   3 -12.661  -5.892  -6.627
   21   3HD2  LEU   3          3HD2      LEU   3 -11.118  -5.869  -7.484
   22    H    SER   4           H        SER   4 -15.872  -1.333  -7.583
   23    HA   SER   4           HA       SER   4 -13.864   0.779  -7.535
   24   1HB   SER   4          2HB       SER   4 -16.659   1.452  -6.866
   25   2HB   SER   4          1HB       SER   4 -15.562   2.196  -8.031
   26    HG   SER   4           HG       SER   4 -16.246   0.888  -9.557
   27    H    TRP   5           H        TRP   5 -14.878  -1.434  -5.395
   28    HA   TRP   5           HA       TRP   5 -15.326   0.229  -3.102
   29   1HB   TRP   5          2HB       TRP   5 -15.698  -1.748  -1.906
   30   2HB   TRP   5          1HB       TRP   5 -16.243  -2.143  -3.528
   31    HD1  TRP   5           HD       TRP   5 -13.690  -3.116  -4.959
   32    HE1  TRP   5           1HE      TRP   5 -12.414  -5.212  -4.173
   33    HE3  TRP   5           3HE      TRP   5 -15.375  -3.325  -0.138
   34    HZ2  TRP   5           2HZ      TRP   5 -12.168  -6.756  -1.819
   35    HZ3  TRP   5           3HZ      TRP   5 -14.577  -5.143   1.315
   36    HH2  TRP   5           HH       TRP   5 -13.006  -6.823   0.491
   37    H    LYS   6           H        LYS   6 -13.958  -0.070  -1.102
   38    HA   LYS   6           HA       LYS   6 -11.124  -0.058  -1.886
   39   1HB   LYS   6          2HB       LYS   6 -12.692   1.863  -0.465
   40   2HB   LYS   6          1HB       LYS   6 -11.454   1.233   0.614
   41   1HG   LYS   6          2HG       LYS   6 -10.052   2.673  -0.313
   42   2HG   LYS   6          1HG       LYS   6 -10.121   1.684  -1.773
   43   1HD   LYS   6          2HD       LYS   6 -12.420   3.402  -1.626
   44   2HD   LYS   6          1HD       LYS   6 -10.939   4.345  -1.468
   45   1HE   LYS   6          2HE       LYS   6 -10.699   4.239  -3.672
   46   2HE   LYS   6          1HE       LYS   6 -10.454   2.500  -3.521
   47   1HZ   LYS   6          1HZ       LYS   6 -12.601   3.870  -4.707
   48   2HZ   LYS   6          2HZ       LYS   6 -13.199   2.979  -3.391
   49   3HZ   LYS   6          3HZ       LYS   6 -12.329   2.201  -4.623
   50    H    ARG   7           H        ARG   7  -9.904  -1.609  -1.069
   51    HA   ARG   7           HA       ARG   7 -10.675  -2.777   1.508
   52   1HB   ARG   7          2HB       ARG   7 -10.281  -4.987   0.803
   53   2HB   ARG   7          1HB       ARG   7 -11.240  -4.268  -0.482
   54   1HG   ARG   7          2HG       ARG   7  -9.714  -5.082  -1.873
   55   2HG   ARG   7          1HG       ARG   7  -8.664  -3.786  -1.302
   56   1HD   ARG   7          2HD       ARG   7  -8.181  -6.522  -1.147
   57   2HD   ARG   7          1HD       ARG   7  -7.275  -5.240  -0.349
   58    HE   ARG   7           HE       ARG   7  -8.549  -5.632   1.640
   59   1HH1  ARG   7          2HH1      ARG   7  -9.070  -7.964  -0.920
   60   2HH1  ARG   7          1HH1      ARG   7  -9.671  -9.202   0.149
   61   1HH2  ARG   7          2HH2      ARG   7  -9.351  -7.258   3.054
   62   2HH2  ARG   7          1HH2      ARG   7  -9.831  -8.801   2.410
   63    H    CYS   8           H        CYS   8  -9.060  -3.099   2.908
   64    HA   CYS   8           HA       CYS   8  -6.554  -1.830   2.314
   65   1HB   CYS   8          2HB       CYS   8  -7.917  -1.542   4.435
   66   2HB   CYS   8          1HB       CYS   8  -7.408  -3.161   4.881
   67    H    ALA   9           H        ALA   9  -4.542  -2.729   2.606
   68    HA   ALA   9           HA       ALA   9  -4.413  -5.673   2.619
   69   1HB   ALA   9          1HB       ALA   9  -2.717  -5.681   1.071
   70   2HB   ALA   9          2HB       ALA   9  -3.628  -4.276   0.520
   71   3HB   ALA   9          3HB       ALA   9  -2.176  -4.057   1.496
   72    H    GLY  10           H        GLY  10  -4.074  -3.040   4.457
   73   1HA   GLY  10          1HA       GLY  10  -1.533  -3.754   5.715
   74   2HA   GLY  10          2HA       GLY  10  -2.518  -2.345   6.081
   75    H    CYS  11           H        CYS  11  -4.947  -3.370   6.681
   76    HA   CYS  11           HA       CYS  11  -4.348  -5.026   9.026
   77   1HB   CYS  11          2HB       CYS  11  -6.627  -4.373   9.820
   78   2HB   CYS  11          1HB       CYS  11  -5.500  -3.033   9.671
   79    H    GLY  12           H        GLY  12  -5.911  -4.976   5.992
   80   1HA   GLY  12          1HA       GLY  12  -6.251  -6.975   4.794
   81   2HA   GLY  12          2HA       GLY  12  -6.472  -7.820   6.317
   82    H    GLY  13           H        GLY  13  -8.298  -5.007   6.408
   83   1HA   GLY  13          1HA       GLY  13 -10.658  -6.586   5.701
   84   2HA   GLY  13          2HA       GLY  13 -10.630  -5.256   6.847
   85    H    LYS  14           H        LYS  14 -12.263  -4.224   5.889
   86    HA   LYS  14           HA       LYS  14 -11.909  -3.245   3.142
   87   1HB   LYS  14          2HB       LYS  14 -14.013  -4.388   3.500
   88   2HB   LYS  14          1HB       LYS  14 -14.358  -3.394   4.907
   89   1HG   LYS  14          2HG       LYS  14 -14.222  -1.422   3.216
   90   2HG   LYS  14          1HG       LYS  14 -14.484  -2.685   2.011
   91   1HD   LYS  14          2HD       LYS  14 -16.255  -2.487   4.415
   92   2HD   LYS  14          1HD       LYS  14 -16.530  -1.450   3.014
   93   1HE   LYS  14          2HE       LYS  14 -17.404  -3.120   1.822
   94   2HE   LYS  14          1HE       LYS  14 -16.110  -4.228   2.278
   95   1HZ   LYS  14          1HZ       LYS  14 -17.270  -4.557   4.417
   96   2HZ   LYS  14          2HZ       LYS  14 -18.183  -5.066   3.080
   97   3HZ   LYS  14          3HZ       LYS  14 -18.551  -3.600   3.849
   98    H    ILE  15           H        ILE  15 -11.892  -1.056   2.696
   99    HA   ILE  15           HA       ILE  15 -11.576   0.690   5.036
  100    HB   ILE  15           HB       ILE  15 -10.933   1.595   2.264
  101   1HG1  ILE  15          2HG1      ILE  15  -9.100  -0.083   3.994
  102   1HG2  ILE  15          1HG2      ILE  15  -9.074   2.294   4.342
  103   2HG2  ILE  15          2HG2      ILE  15 -10.083   3.339   3.343
  104   3HG2  ILE  15          3HG2      ILE  15 -10.726   2.666   4.841
  105   1HD1  ILE  15          1HD1      ILE  15  -8.444   0.584   1.191
  106   2HD1  ILE  15          2HD1      ILE  15  -8.190   1.831   2.412
  107   3HD1  ILE  15          3HD1      ILE  15  -7.384   0.270   2.567
  108    H    ALA  16           H        ALA  16 -13.665   1.226   5.535
  109    HA   ALA  16           HA       ALA  16 -15.183   2.655   3.444
  110   1HB   ALA  16          1HB       ALA  16 -16.107   1.390   6.020
  111   2HB   ALA  16          2HB       ALA  16 -17.114   2.454   5.041
  112   3HB   ALA  16          3HB       ALA  16 -16.540   0.926   4.376
  113    H    ASP  17           H        ASP  17 -12.925   3.212   5.557
  114    HA   ASP  17           HA       ASP  17 -14.000   5.427   7.053
  115   1HB   ASP  17          2HB       ASP  17 -11.142   4.494   6.674
  116   2HB   ASP  17          1HB       ASP  17 -11.667   5.724   7.816
  117    H    ARG  18           H        ARG  18 -13.398   7.595   6.790
  118    HA   ARG  18           HA       ARG  18 -13.332   8.512   4.114
  119   1HB   ARG  18          2HB       ARG  18 -14.356   9.719   6.035
  120   2HB   ARG  18          1HB       ARG  18 -12.743  10.040   6.652
  121   1HG   ARG  18          2HG       ARG  18 -13.067  11.989   5.573
  122   2HG   ARG  18          1HG       ARG  18 -12.443  11.055   4.211
  123   1HD   ARG  18          2HD       ARG  18 -15.366  10.980   4.732
  124   2HD   ARG  18          1HD       ARG  18 -14.686  12.461   4.061
  125    HE   ARG  18           HE       ARG  18 -14.788   9.836   2.770
  126   1HH1  ARG  18          2HH1      ARG  18 -13.803  13.204   2.638
  127   2HH1  ARG  18          1HH1      ARG  18 -13.539  13.187   0.915
  128   1HH2  ARG  18          2HH2      ARG  18 -14.428   9.799   0.545
  129   2HH2  ARG  18          1HH2      ARG  18 -13.878  11.233  -0.283
  130    H    PHE  19           H        PHE  19 -10.875   7.836   6.430
  131    HA   PHE  19           HA       PHE  19  -8.858   9.209   4.811
  132   1HB   PHE  19          2HB       PHE  19  -8.666   8.156   7.643
  133   2HB   PHE  19          1HB       PHE  19  -7.455   9.131   6.808
  134    HD1  PHE  19           1HD      PHE  19 -10.809   9.156   8.332
  135    HD2  PHE  19           2HD      PHE  19  -7.714  11.477   6.568
  136    HE1  PHE  19           1HE      PHE  19 -11.926  11.213   9.090
  137    HE2  PHE  19           2HE      PHE  19  -8.823  13.534   7.322
  138    HZ   PHE  19           HZ       PHE  19 -10.929  13.408   8.573
  139    H    LEU  20           H        LEU  20  -7.886   7.950   3.377
  140    HA   LEU  20           HA       LEU  20  -6.934   5.321   4.213
  141   1HB   LEU  20          2HB       LEU  20  -8.188   4.103   2.802
  142   2HB   LEU  20          1HB       LEU  20  -9.277   5.473   2.872
  143    HG   LEU  20           HG       LEU  20  -7.396   5.992   0.810
  144   1HD1  LEU  20          1HD1      LEU  20  -7.655   3.242   1.154
  145   2HD1  LEU  20          2HD1      LEU  20  -8.730   3.642  -0.184
  146   3HD1  LEU  20          3HD1      LEU  20  -7.025   4.085  -0.261
  147   1HD2  LEU  20          1HD2      LEU  20 -10.328   5.347   0.904
  148   2HD2  LEU  20          2HD2      LEU  20  -9.556   6.926   0.735
  149   3HD2  LEU  20          3HD2      LEU  20  -9.487   5.765  -0.593
  150    H    LEU  21           H        LEU  21  -5.585   4.323   2.426
  151    HA   LEU  21           HA       LEU  21  -4.166   6.362   0.855
  152   1HB   LEU  21          2HB       LEU  21  -3.077   5.374   3.117
  153   2HB   LEU  21          1HB       LEU  21  -2.571   4.133   1.987
  154    HG   LEU  21           HG       LEU  21  -2.073   6.890   1.086
  155   1HD1  LEU  21          1HD1      LEU  21  -1.391   6.183   3.738
  156   2HD1  LEU  21          2HD1      LEU  21   0.091   6.208   2.786
  157   3HD1  LEU  21          3HD1      LEU  21  -0.946   7.630   2.837
  158   1HD2  LEU  21          1HD2      LEU  21   0.247   5.555   0.878
  159   2HD2  LEU  21          2HD2      LEU  21  -0.879   4.199   0.909
  160   3HD2  LEU  21          3HD2      LEU  21  -1.043   5.454  -0.318
  161    H    TYR  22           H        TYR  22  -3.187   5.557  -1.033
  162    HA   TYR  22           HA       TYR  22  -3.884   2.787  -1.749
  163   1HB   TYR  22          2HB       TYR  22  -3.660   4.790  -3.947
  164   2HB   TYR  22          1HB       TYR  22  -4.600   3.311  -3.875
  165    HD1  TYR  22           1HD      TYR  22  -4.523   6.840  -2.732
  166    HD2  TYR  22           2HD      TYR  22  -6.896   3.359  -3.312
  167    HE1  TYR  22           1HE      TYR  22  -6.551   8.173  -2.375
  168    HE2  TYR  22           2HE      TYR  22  -8.933   4.686  -2.954
  169    HH   TYR  22           HH       TYR  22  -9.777   6.764  -2.758
  170    H    ALA  23           H        ALA  23  -2.066   1.657  -2.003
  171    HA   ALA  23           HA       ALA  23   0.245   2.892  -3.284
  172   1HB   ALA  23          1HB       ALA  23   1.765   2.312  -1.473
  173   2HB   ALA  23          2HB       ALA  23   0.519   3.430  -0.912
  174   3HB   ALA  23          3HB       ALA  23   0.411   1.714  -0.513
  175    H    MET  24           H        MET  24   1.700   1.455  -4.147
  176    HA   MET  24           HA       MET  24   2.396  -0.440  -5.179
  177   1HB   MET  24          2HB       MET  24   1.927  -1.144  -2.376
  178   2HB   MET  24          1HB       MET  24   1.918  -2.527  -3.460
  179   1HG   MET  24          2HG       MET  24   4.113  -1.309  -4.356
  180   2HG   MET  24          1HG       MET  24   4.129  -0.729  -2.692
  181   1HE   MET  24          1HE       MET  24   3.959  -4.150  -4.869
  182   2HE   MET  24          2HE       MET  24   3.791  -5.249  -3.499
  183   3HE   MET  24          3HE       MET  24   2.551  -4.033  -3.811
  184    H    ASP  25           H        ASP  25  -0.228   0.304  -5.870
  185    HA   ASP  25           HA       ASP  25  -1.965  -0.472  -7.108
  186   1HB   ASP  25          2HB       ASP  25  -0.033  -2.725  -7.233
  187   2HB   ASP  25          1HB       ASP  25  -1.697  -3.088  -7.682
  188    H    SER  26           H        SER  26  -2.016  -0.559  -4.226
  189    HA   SER  26           HA       SER  26  -4.367  -2.222  -3.939
  190   1HB   SER  26          2HB       SER  26  -2.948  -2.618  -1.518
  191   2HB   SER  26          1HB       SER  26  -3.387  -3.836  -2.715
  192    HG   SER  26           HG       SER  26  -1.285  -2.536  -3.649
  193    H    TYR  27           H        TYR  27  -5.389  -1.756  -1.728
  194    HA   TYR  27           HA       TYR  27  -4.938   1.086  -1.122
  195   1HB   TYR  27          2HB       TYR  27  -7.506  -0.427  -0.643
  196   2HB   TYR  27          1HB       TYR  27  -7.250   1.311  -0.550
  197    HD1  TYR  27           1HD      TYR  27  -5.630   1.589  -3.171
  198    HD2  TYR  27           2HD      TYR  27  -9.252  -0.457  -2.217
  199    HE1  TYR  27           1HE      TYR  27  -6.367   1.798  -5.505
  200    HE2  TYR  27           2HE      TYR  27  -9.983  -0.250  -4.551
  201    HH   TYR  27           HH       TYR  27  -8.122   1.607  -6.912
  202    H    TRP  28           H        TRP  28  -5.054   1.745   1.033
  203    HA   TRP  28           HA       TRP  28  -4.721  -0.302   3.104
  204   1HB   TRP  28          2HB       TRP  28  -2.701   1.914   2.652
  205   2HB   TRP  28          1HB       TRP  28  -2.594   0.609   3.819
  206    HD1  TRP  28           HD       TRP  28  -2.585   1.043  -0.041
  207    HE1  TRP  28           1HE      TRP  28  -1.032  -0.749  -1.040
  208    HE3  TRP  28           3HE      TRP  28  -1.304  -1.408   4.260
  209    HZ2  TRP  28           2HZ      TRP  28   0.533  -2.902  -0.121
  210    HZ3  TRP  28           3HZ      TRP  28   0.232  -3.321   4.112
  211    HH2  TRP  28           HH       TRP  28   1.132  -4.052   1.962
  212    H    HIS  29           H        HIS  29  -4.160   0.992   5.229
  213    HA   HIS  29           HA       HIS  29  -5.892   3.370   5.363
  214   1HB   HIS  29          2HB       HIS  29  -5.050   1.377   7.451
  215   2HB   HIS  29          1HB       HIS  29  -5.527   3.005   7.919
  216    HD2  HIS  29           2HD      HIS  29  -8.249   3.653   7.121
  217    HE1  HIS  29           1HE      HIS  29  -9.347  -0.437   7.191
  218    HE2  HIS  29           2HE      HIS  29 -10.197   1.951   7.405
  219    H    SER  30           H        SER  30  -4.926   4.965   7.094
  220    HA   SER  30           HA       SER  30  -2.546   5.970   6.039
  221   1HB   SER  30          2HB       SER  30  -3.001   6.856   8.762
  222   2HB   SER  30          1HB       SER  30  -3.135   7.760   7.252
  223    HG   SER  30           HG       SER  30  -5.100   6.228   8.589
  224    H    ARG  31           H        ARG  31  -3.113   4.185   9.064
  225    HA   ARG  31           HA       ARG  31  -0.234   4.051   9.514
  226   1HB   ARG  31          2HB       ARG  31  -1.928   4.576  11.340
  227   2HB   ARG  31          1HB       ARG  31  -2.375   2.876  11.272
  228   1HG   ARG  31          2HG       ARG  31  -0.004   2.295  11.777
  229   2HG   ARG  31          1HG       ARG  31   0.317   4.016  11.995
  230   1HD   ARG  31          2HD       ARG  31  -0.299   2.443  14.030
  231   2HD   ARG  31          1HD       ARG  31  -0.822   4.124  13.964
  232    HE   ARG  31           HE       ARG  31  -3.012   3.414  13.478
  233   1HH1  ARG  31          2HH1      ARG  31  -0.792   0.734  13.891
  234   2HH1  ARG  31          1HH1      ARG  31  -2.047  -0.430  14.197
  235   1HH2  ARG  31          2HH2      ARG  31  -4.678   1.882  13.826
  236   2HH2  ARG  31          1HH2      ARG  31  -4.268   0.216  14.128
  237    H    CYS  32           H        CYS  32  -2.564   2.222   7.957
  238    HA   CYS  32           HA       CYS  32  -1.455  -0.373   8.546
  239   1HB   CYS  32          2HB       CYS  32  -3.450   0.608   6.510
  240   2HB   CYS  32          1HB       CYS  32  -2.894  -1.060   6.562
  241    H    LEU  33           H        LEU  33  -1.085   2.144   6.174
  242    HA   LEU  33           HA       LEU  33   0.694   0.582   4.505
  243   1HB   LEU  33          2HB       LEU  33  -0.861   2.582   3.812
  244   2HB   LEU  33          1HB       LEU  33   0.477   3.565   4.374
  245    HG   LEU  33           HG       LEU  33   0.155   2.581   1.818
  246   1HD1  LEU  33          1HD1      LEU  33   2.546   3.603   3.309
  247   2HD1  LEU  33          2HD1      LEU  33   2.589   3.257   1.581
  248   3HD1  LEU  33          3HD1      LEU  33   1.475   4.470   2.210
  249   1HD2  LEU  33          1HD2      LEU  33   0.736   0.347   2.257
  250   2HD2  LEU  33          2HD2      LEU  33   2.197   1.082   1.597
  251   3HD2  LEU  33          3HD2      LEU  33   2.051   0.813   3.334
  252    H    LYS  34           H        LYS  34   2.018   0.013   6.349
  253    HA   LYS  34           HA       LYS  34   3.897   2.141   7.106
  254   1HB   LYS  34          2HB       LYS  34   4.485   0.262   8.909
  255   2HB   LYS  34          1HB       LYS  34   3.204   1.436   9.171
  256   1HG   LYS  34          2HG       LYS  34   2.031  -0.411   9.697
  257   2HG   LYS  34          1HG       LYS  34   1.788  -0.477   7.950
  258   1HD   LYS  34          2HD       LYS  34   4.268  -1.749   8.744
  259   2HD   LYS  34          1HD       LYS  34   2.872  -2.467   9.553
  260   1HE   LYS  34          2HE       LYS  34   2.275  -1.996   6.786
  261   2HE   LYS  34          1HE       LYS  34   3.769  -2.919   6.932
  262   1HZ   LYS  34          1HZ       LYS  34   1.798  -4.340   6.819
  263   2HZ   LYS  34          2HZ       LYS  34   1.195  -3.628   8.234
  264   3HZ   LYS  34          3HZ       LYS  34   2.628  -4.534   8.284
  265    H    CYS  35           H        CYS  35   6.117   1.464   7.377
  266    HA   CYS  35           HA       CYS  35   7.147   0.248   5.084
  267   1HB   CYS  35          2HB       CYS  35   8.155   1.951   6.729
  268   2HB   CYS  35          1HB       CYS  35   8.631   0.549   7.670
  269    H    SER  36           H        SER  36   8.687  -1.563   5.064
  270    HA   SER  36           HA       SER  36   7.652  -3.838   6.584
  271   1HB   SER  36          2HB       SER  36   9.652  -3.818   4.312
  272   2HB   SER  36          1HB       SER  36   8.871  -5.235   5.013
  273    HG   SER  36           HG       SER  36   7.679  -3.139   3.516
  274    H    SER  37           H        SER  37  10.214  -1.602   6.619
  275    HA   SER  37           HA       SER  37  11.832  -3.414   8.277
  276   1HB   SER  37          2HB       SER  37  12.794  -0.792   7.147
  277   2HB   SER  37          1HB       SER  37  13.751  -2.150   7.731
  278    HG   SER  37           HG       SER  37  12.473  -3.271   5.877
  279    H    CYS  38           H        CYS  38  11.481   0.136   8.177
  280    HA   CYS  38           HA       CYS  38  11.850   0.258  11.003
  281   1HB   CYS  38          2HB       CYS  38  11.873   2.639  10.724
  282   2HB   CYS  38          1HB       CYS  38  12.735   1.932   9.364
  283    H    GLN  39           H        GLN  39   9.111   0.158   8.956
  284    HA   GLN  39           HA       GLN  39   6.875   0.145   9.289
  285   1HB   GLN  39          2HB       GLN  39   7.906  -0.504  11.966
  286   2HB   GLN  39          1HB       GLN  39   6.282   0.179  11.945
  287   1HG   GLN  39          2HG       GLN  39   5.674  -1.962  11.678
  288   2HG   GLN  39          1HG       GLN  39   6.048  -1.642   9.984
  289   1HE2  GLN  39          1HE2      GLN  39   7.504  -2.874   9.024
  290   2HE2  GLN  39          2HE2      GLN  39   8.595  -3.961   9.824
  291    H    ALA  40           H        ALA  40   8.567   2.680   9.465
  292    HA   ALA  40           HA       ALA  40   7.095   4.494  11.070
  293   1HB   ALA  40          1HB       ALA  40   8.479   5.579   8.712
  294   2HB   ALA  40          2HB       ALA  40   8.583   6.050  10.409
  295   3HB   ALA  40          3HB       ALA  40   9.490   4.654   9.823
  296    H    GLN  41           H        GLN  41   5.251   5.285  10.715
  297    HA   GLN  41           HA       GLN  41   3.468   4.539   8.785
  298   1HB   GLN  41          2HB       GLN  41   3.353   6.095  11.018
  299   2HB   GLN  41          1HB       GLN  41   3.079   7.294   9.761
  300   1HG   GLN  41          2HG       GLN  41   1.318   5.616   8.887
  301   2HG   GLN  41          1HG       GLN  41   1.426   4.925  10.510
  302   1HE2  GLN  41          1HE2      GLN  41   1.061   6.411  12.323
  303   2HE2  GLN  41          2HE2      GLN  41  -0.056   7.721  12.116
  304    H    LEU  42           H        LEU  42   3.909   4.669   6.666
  305    HA   LEU  42           HA       LEU  42   5.366   6.775   5.486
  306   1HB   LEU  42          2HB       LEU  42   3.818   4.434   4.471
  307   2HB   LEU  42          1HB       LEU  42   4.332   5.669   3.341
  308    HG   LEU  42           HG       LEU  42   6.426   4.611   5.139
  309   1HD1  LEU  42          1HD1      LEU  42   6.471   2.823   3.028
  310   2HD1  LEU  42          2HD1      LEU  42   6.031   2.468   4.699
  311   3HD1  LEU  42          3HD1      LEU  42   4.780   2.862   3.523
  312   1HD2  LEU  42          1HD2      LEU  42   6.378   5.094   2.165
  313   2HD2  LEU  42          2HD2      LEU  42   6.805   6.313   3.363
  314   3HD2  LEU  42          3HD2      LEU  42   7.796   4.866   3.189
  315    H    GLY  43           H        GLY  43   2.049   6.415   6.242
  316   1HA   GLY  43          1HA       GLY  43   1.075   8.338   4.331
  317   2HA   GLY  43          2HA       GLY  43   0.190   7.695   5.708
  318    H    ASP  44           H        ASP  44   2.246   8.381   7.628
  319    HA   ASP  44           HA       ASP  44   1.375  11.048   8.171
  320   1HB   ASP  44          2HB       ASP  44   1.692   9.353   9.950
  321   2HB   ASP  44          1HB       ASP  44   3.425   9.385   9.643
  322    H    ILE  45           H        ILE  45   4.241   9.646   6.774
  323    HA   ILE  45           HA       ILE  45   5.853  11.989   7.211
  324    HB   ILE  45           HB       ILE  45   7.528  10.937   5.781
  325   1HG1  ILE  45          2HG1      ILE  45   5.664   8.590   5.467
  326   1HG2  ILE  45          1HG2      ILE  45   8.015   9.022   7.175
  327   2HG2  ILE  45          2HG2      ILE  45   7.375  10.339   8.159
  328   3HG2  ILE  45          3HG2      ILE  45   6.342   8.973   7.736
  329   1HD1  ILE  45          1HD1      ILE  45   8.409   9.004   4.859
  330   2HD1  ILE  45          2HD1      ILE  45   7.412   7.573   4.590
  331   3HD1  ILE  45          3HD1      ILE  45   7.509   8.825   3.353
  332    H    GLY  46           H        GLY  46   3.492  11.073   4.949
  333   1HA   GLY  46          1HA       GLY  46   2.620  12.150   3.121
  334   2HA   GLY  46          2HA       GLY  46   3.466  13.576   3.704
  335    H    THR  47           H        THR  47   4.703  10.481   2.499
  336    HA   THR  47           HA       THR  47   5.817  11.849   0.175
  337    HB   THR  47           HB       THR  47   7.689   9.946   1.414
  338    HG1  THR  47           1HG      THR  47   6.727  12.161   2.808
  339   1HG2  THR  47          1HG2      THR  47   7.765  11.986  -0.485
  340   2HG2  THR  47          2HG2      THR  47   9.137  11.076   0.149
  341   3HG2  THR  47          3HG2      THR  47   8.679  12.610   0.888
  342    H    SER  48           H        SER  48   7.072  10.010  -1.150
  343    HA   SER  48           HA       SER  48   5.042   7.988  -1.607
  344   1HB   SER  48          2HB       SER  48   7.123   7.811  -3.517
  345   2HB   SER  48          1HB       SER  48   5.515   8.512  -3.732
  346    HG   SER  48           HG       SER  48   7.864   9.764  -3.714
  347    H    SER  49           H        SER  49   5.704   5.792  -2.185
  348    HA   SER  49           HA       SER  49   8.038   4.888  -0.643
  349   1HB   SER  49          2HB       SER  49   6.725   2.620  -0.837
  350   2HB   SER  49          1HB       SER  49   6.232   3.809   0.369
  351    HG   SER  49           HG       SER  49   4.367   3.783  -0.569
  352    H    TYR  50           H        TYR  50   8.516   2.469  -1.678
  353    HA   TYR  50           HA       TYR  50   8.767   2.876  -4.585
  354   1HB   TYR  50          2HB       TYR  50  10.856   2.088  -2.581
  355   2HB   TYR  50          1HB       TYR  50  10.984   1.535  -4.245
  356    HD1  TYR  50           1HD      TYR  50  10.810   3.428  -6.067
  357    HD2  TYR  50           2HD      TYR  50  11.811   4.108  -1.983
  358    HE1  TYR  50           1HE      TYR  50  11.914   5.532  -6.691
  359    HE2  TYR  50           2HE      TYR  50  12.911   6.215  -2.602
  360    HH   TYR  50           HH       TYR  50  12.473   7.918  -4.890
  361    H    THR  51           H        THR  51   8.899   0.894  -5.842
  362    HA   THR  51           HA       THR  51   7.660  -1.394  -4.447
  363    HB   THR  51           HB       THR  51   7.619  -1.329  -7.404
  364    HG1  THR  51           1HG      THR  51   7.035   0.768  -7.206
  365   1HG2  THR  51          1HG2      THR  51   6.471  -3.114  -6.388
  366   2HG2  THR  51          2HG2      THR  51   5.211  -1.984  -6.879
  367   3HG2  THR  51          3HG2      THR  51   5.719  -2.057  -5.193
  368    H    LYS  52           H        LYS  52   9.055  -2.935  -3.997
  369    HA   LYS  52           HA       LYS  52  10.554  -4.169  -6.078
  370   1HB   LYS  52          2HB       LYS  52  12.765  -4.101  -4.962
  371   2HB   LYS  52          1HB       LYS  52  12.253  -2.520  -5.522
  372   1HG   LYS  52          2HG       LYS  52  11.487  -3.109  -2.766
  373   2HG   LYS  52          1HG       LYS  52  13.229  -3.079  -3.047
  374   1HD   LYS  52          2HD       LYS  52  13.249  -0.859  -3.308
  375   2HD   LYS  52          1HD       LYS  52  11.815  -0.882  -4.339
  376   1HE   LYS  52          2HE       LYS  52  11.988  -0.763  -1.350
  377   2HE   LYS  52          1HE       LYS  52  11.147   0.328  -2.454
  378   1HZ   LYS  52          1HZ       LYS  52   9.322  -0.892  -2.283
  379   2HZ   LYS  52          2HZ       LYS  52  10.085  -1.852  -1.109
  380   3HZ   LYS  52          3HZ       LYS  52  10.149  -2.298  -2.737
  381    H    SER  53           H        SER  53  10.684  -6.296  -5.697
  382    HA   SER  53           HA       SER  53  10.392  -8.324  -4.707
  383   1HB   SER  53          2HB       SER  53  11.059  -7.133  -2.036
  384   2HB   SER  53          1HB       SER  53  11.534  -8.694  -2.713
  385    HG   SER  53           HG       SER  53  13.334  -7.432  -2.845
  386    H    GLY  54           H        GLY  54   8.242  -6.033  -4.403
  387   1HA   GLY  54          1HA       GLY  54   6.080  -5.932  -3.600
  388   2HA   GLY  54          2HA       GLY  54   6.254  -7.600  -3.063
  389    H    MET  55           H        MET  55   8.769  -5.740  -1.946
  390    HA   MET  55           HA       MET  55   7.653  -5.721   0.757
  391   1HB   MET  55          2HB       MET  55  10.001  -6.674  -0.193
  392   2HB   MET  55          1HB       MET  55  10.496  -5.056   0.283
  393   1HG   MET  55          2HG       MET  55   9.346  -5.616   2.523
  394   2HG   MET  55          1HG       MET  55   9.461  -7.290   1.975
  395   1HE   MET  55          1HE       MET  55  11.784  -7.244   0.244
  396   2HE   MET  55          2HE       MET  55  12.827  -5.842   0.477
  397   3HE   MET  55          3HE       MET  55  13.299  -7.411   1.133
  398    H    ILE  56           H        ILE  56   6.576  -3.853   1.033
  399    HA   ILE  56           HA       ILE  56   7.238  -1.384  -0.134
  400    HB   ILE  56           HB       ILE  56   5.548  -2.020   2.285
  401   1HG1  ILE  56          2HG1      ILE  56   4.918  -1.398  -0.604
  402   1HG2  ILE  56          1HG2      ILE  56   5.514   0.587   0.788
  403   2HG2  ILE  56          2HG2      ILE  56   4.735   0.191   2.322
  404   3HG2  ILE  56          3HG2      ILE  56   6.492   0.344   2.234
  405   1HD1  ILE  56          1HD1      ILE  56   3.211  -1.254   1.760
  406   2HD1  ILE  56          2HD1      ILE  56   2.993  -0.571   0.149
  407   3HD1  ILE  56          3HD1      ILE  56   2.585  -2.259   0.455
  408    H    LEU  57           H        LEU  57   8.805  -0.017   0.293
  409    HA   LEU  57           HA       LEU  57   9.907   0.101   3.023
  410   1HB   LEU  57          2HB       LEU  57  11.511   0.478   0.491
  411   2HB   LEU  57          1HB       LEU  57  12.121   0.517   2.133
  412    HG   LEU  57           HG       LEU  57  10.955  -1.932   0.819
  413   1HD1  LEU  57          1HD1      LEU  57  13.012  -1.192  -0.304
  414   2HD1  LEU  57          2HD1      LEU  57  13.844  -1.189   1.252
  415   3HD1  LEU  57          3HD1      LEU  57  13.244  -2.703   0.576
  416   1HD2  LEU  57          1HD2      LEU  57  12.155  -3.059   2.717
  417   2HD2  LEU  57          2HD2      LEU  57  12.380  -1.461   3.426
  418   3HD2  LEU  57          3HD2      LEU  57  10.754  -2.096   3.182
  419    H    CYS  58           H        CYS  58  10.824   2.182   3.586
  420    HA   CYS  58           HA       CYS  58   9.362   4.388   2.438
  421   1HB   CYS  58          2HB       CYS  58  10.640   5.730   4.149
  422   2HB   CYS  58          1HB       CYS  58   9.641   4.448   4.820
  423    H    ARG  59           H        ARG  59  10.773   6.455   2.046
  424    HA   ARG  59           HA       ARG  59  12.569   5.895  -0.102
  425   1HB   ARG  59          2HB       ARG  59  11.359   8.258   1.132
  426   2HB   ARG  59          1HB       ARG  59  13.005   8.536   0.583
  427   1HG   ARG  59          2HG       ARG  59  11.507   7.124  -1.424
  428   2HG   ARG  59          1HG       ARG  59  10.666   8.598  -0.938
  429   1HD   ARG  59          2HD       ARG  59  13.575   8.492  -1.724
  430   2HD   ARG  59          1HD       ARG  59  12.269   8.889  -2.839
  431    HE   ARG  59           HE       ARG  59  13.284  10.543  -0.651
  432   1HH1  ARG  59          2HH1      ARG  59  11.017  10.115  -3.298
  433   2HH1  ARG  59          1HH1      ARG  59  10.467  11.767  -3.265
  434   1HH2  ARG  59          2HH2      ARG  59  12.599  12.739  -0.642
  435   2HH2  ARG  59          1HH2      ARG  59  11.400  13.260  -1.788
  436    H    ASN  60           H        ASN  60  12.897   6.042   3.267
  437    HA   ASN  60           HA       ASN  60  15.729   6.741   3.212
  438   1HB   ASN  60          2HB       ASN  60  13.930   7.374   5.035
  439   2HB   ASN  60          1HB       ASN  60  14.325   5.783   5.674
  440   1HD2  ASN  60          1HD2      ASN  60  15.814   5.799   7.181
  441   2HD2  ASN  60          2HD2      ASN  60  17.106   6.953   7.323
  442    H    ASP  61           H        ASP  61  13.676   4.001   4.201
  443    HA   ASP  61           HA       ASP  61  15.851   2.272   4.783
  444   1HB   ASP  61          2HB       ASP  61  12.907   1.943   4.473
  445   2HB   ASP  61          1HB       ASP  61  13.908   0.496   4.396
  446    H    TYR  62           H        TYR  62  14.162   3.081   1.877
  447    HA   TYR  62           HA       TYR  62  14.896   0.913   0.248
  448   1HB   TYR  62          2HB       TYR  62  13.313   2.576  -0.545
  449   2HB   TYR  62          1HB       TYR  62  14.528   3.846  -0.427
  450    HD1  TYR  62           1HD      TYR  62  13.503   0.850  -2.289
  451    HD2  TYR  62           2HD      TYR  62  16.145   4.173  -2.157
  452    HE1  TYR  62           1HE      TYR  62  14.169   0.394  -4.602
  453    HE2  TYR  62           2HE      TYR  62  16.832   3.734  -4.472
  454    HH   TYR  62           HH       TYR  62  16.803   1.406  -5.993
  455    H    ILE  63           H        ILE  63  16.618   3.852   1.186
  456    HA   ILE  63           HA       ILE  63  18.880   3.341  -0.477
  457    HB   ILE  63           HB       ILE  63  18.960   5.068   1.983
  458   1HG1  ILE  63          2HG1      ILE  63  16.920   5.680   0.760
  459   1HG2  ILE  63          1HG2      ILE  63  20.889   4.447   0.190
  460   2HG2  ILE  63          2HG2      ILE  63  20.222   5.913  -0.532
  461   3HG2  ILE  63          3HG2      ILE  63  20.842   5.946   1.119
  462   1HD1  ILE  63          1HD1      ILE  63  18.488   5.205  -1.574
  463   2HD1  ILE  63          2HD1      ILE  63  16.765   5.565  -1.437
  464   3HD1  ILE  63          3HD1      ILE  63  17.933   6.878  -1.570
  465    H    ARG  64           H        ARG  64  17.868   2.344   2.667
  466    HA   ARG  64           HA       ARG  64  20.430   1.567   3.656
  467   1HB   ARG  64          2HB       ARG  64  17.645   0.717   4.466
  468   2HB   ARG  64          1HB       ARG  64  19.109   0.265   5.328
  469   1HG   ARG  64          2HG       ARG  64  19.214   3.045   5.084
  470   2HG   ARG  64          1HG       ARG  64  17.546   2.662   5.515
  471   1HD   ARG  64          2HD       ARG  64  18.506   1.186   7.340
  472   2HD   ARG  64          1HD       ARG  64  20.064   1.935   6.993
  473    HE   ARG  64           HE       ARG  64  17.829   3.117   8.377
  474   1HH1  ARG  64          2HH1      ARG  64  20.813   3.706   6.646
  475   2HH1  ARG  64          1HH1      ARG  64  21.020   5.312   7.286
  476   1HH2  ARG  64          2HH2      ARG  64  18.114   5.204   9.265
  477   2HH2  ARG  64          1HH2      ARG  64  19.500   6.152   8.796
  478    H    LEU  65           H        LEU  65  17.801  -0.092   1.983
  479    HA   LEU  65           HA       LEU  65  19.284  -2.595   2.067
  480   1HB   LEU  65          2HB       LEU  65  16.535  -2.005   0.976
  481   2HB   LEU  65          1HB       LEU  65  17.239  -3.599   1.164
  482    HG   LEU  65           HG       LEU  65  16.377  -1.700   3.335
  483   1HD1  LEU  65          1HD1      LEU  65  14.814  -3.364   2.076
  484   2HD1  LEU  65          2HD1      LEU  65  15.611  -4.575   3.082
  485   3HD1  LEU  65          3HD1      LEU  65  14.740  -3.239   3.833
  486   1HD2  LEU  65          1HD2      LEU  65  17.861  -4.301   3.667
  487   2HD2  LEU  65          2HD2      LEU  65  18.560  -2.701   3.904
  488   3HD2  LEU  65          3HD2      LEU  65  17.257  -3.258   4.955
  489    H    PHE  66           H        PHE  66  17.819  -0.518  -0.430
  490    HA   PHE  66           HA       PHE  66  19.206  -2.094  -2.470
  491   1HB   PHE  66          2HB       PHE  66  16.892  -0.168  -2.558
  492   2HB   PHE  66          1HB       PHE  66  17.717  -0.686  -4.027
  493    HD1  PHE  66           1HD      PHE  66  16.828  -2.466  -5.159
  494    HD2  PHE  66           2HD      PHE  66  16.218  -2.193  -0.954
  495    HE1  PHE  66           1HE      PHE  66  15.430  -4.491  -5.233
  496    HE2  PHE  66           2HE      PHE  66  14.834  -4.228  -1.021
  497    HZ   PHE  66           HZ       PHE  66  14.443  -5.382  -3.162
  498    H    GLY  67           H        GLY  67  18.839   1.235  -1.357
  499   1HA   GLY  67          1HA       GLY  67  20.555   2.831  -1.339
  500   2HA   GLY  67          2HA       GLY  67  21.471   1.831  -2.451
  501    H    ASN  68           H        ASN  68  21.218   4.574  -2.699
  502    HA   ASN  68           HA       ASN  68  20.361   4.798  -5.396
  503   1HB   ASN  68          2HB       ASN  68  18.142   5.014  -4.362
  504   2HB   ASN  68          1HB       ASN  68  18.741   6.296  -3.315
  505   1HD2  ASN  68          1HD2      ASN  68  17.789   8.103  -3.956
  506   2HD2  ASN  68          2HD2      ASN  68  17.688   8.659  -5.591
  507    H    SER  69           H        SER  69  20.986   6.861  -6.309
  508    HA   SER  69           HA       SER  69  23.366   7.868  -5.189
  509   1HB   SER  69          2HB       SER  69  21.980   9.545  -7.180
  510   2HB   SER  69          1HB       SER  69  23.615   8.885  -7.199
  511    HG   SER  69           HG       SER  69  22.241   7.946  -8.807
  512    H    GLY  70           H        GLY  70  20.218   9.536  -5.689
  513   1HA   GLY  70          1HA       GLY  70  19.905  10.531  -3.168
  514   2HA   GLY  70          2HA       GLY  70  20.997  11.678  -3.925
  515    H    ALA  71           H        ALA  71  17.799  10.778  -3.439
  516    HA   ALA  71           HA       ALA  71  16.794  12.490  -5.607
  517   1HB   ALA  71          1HB       ALA  71  14.817  11.394  -5.472
  518   2HB   ALA  71          2HB       ALA  71  15.811  10.140  -4.733
  519   3HB   ALA  71          3HB       ALA  71  14.892  11.250  -3.717
  520    H    GLY  72           H        GLY  72  14.585  13.632  -4.505
  521   1HA   GLY  72          1HA       GLY  72  14.942  14.702  -1.912
  522   2HA   GLY  72          2HA       GLY  72  15.566  15.833  -3.102
  523    H    GLY  73           H        GLY  73  13.697  16.972  -1.810
  524   1HA   GLY  73          1HA       GLY  73  11.812  18.225  -2.501
  525   2HA   GLY  73          2HA       GLY  73  11.398  16.940  -3.623
  526    H    SER  74           H        SER  74   9.715  18.306  -1.646
  527    HA   SER  74           HA       SER  74   9.209  16.422   0.468
  528   1HB   SER  74          2HB       SER  74   7.075  18.336  -0.218
  529   2HB   SER  74          1HB       SER  74   7.865  18.033   1.330
  530    HG   SER  74           HG       SER  74   8.282  20.137   0.397
  531    H    GLY  75           H        GLY  75   9.139  14.702  -1.267
  532   1HA   GLY  75          1HA       GLY  75   7.224  13.087  -1.652
  533   2HA   GLY  75          2HA       GLY  75   6.439  14.460  -2.432
  534    H    GLY  76           H        GLY  76   7.129  15.143  -4.438
  535   1HA   GLY  76          1HA       GLY  76   9.381  14.803  -5.803
  536   2HA   GLY  76          2HA       GLY  76   8.677  13.198  -5.951
  537    H    HIS  77           H        HIS  77   8.734  16.369  -7.140
  538    HA   HIS  77           HA       HIS  77   6.160  16.457  -8.349
  539   1HB   HIS  77          2HB       HIS  77   7.543  18.464  -7.855
  540   2HB   HIS  77          1HB       HIS  77   8.675  17.966  -9.106
  541    HD1  HIS  77           1HD      HIS  77   8.350  19.169 -11.216
  542    HD2  HIS  77           2HD      HIS  77   4.780  18.746  -9.122
  543    HE1  HIS  77           1HE      HIS  77   6.613  20.349 -12.596
  544    HE2  HIS  77           2HE      HIS  77   4.430  19.874 -11.427
  545    H    MET  78           H        MET  78   6.002  14.403  -9.341
  546    HA   MET  78           HA       MET  78   5.893  13.044 -11.157
  547   1HB   MET  78          2HB       MET  78   5.691  14.870 -12.667
  548   2HB   MET  78          1HB       MET  78   7.382  15.309 -12.479
  549   1HG   MET  78          2HG       MET  78   7.436  12.694 -13.414
  550   2HG   MET  78          1HG       MET  78   6.144  13.474 -14.325
  551   1HE   MET  78          1HE       MET  78   9.034  12.192 -14.895
  552   2HE   MET  78          2HE       MET  78  10.086  13.281 -15.800
  553   3HE   MET  78          3HE       MET  78  10.167  13.237 -14.040
  554    H    GLY  79           H        GLY  79   9.138  14.512 -11.177
  555   1HA   GLY  79          1HA       GLY  79  10.229  11.797 -10.809
  556   2HA   GLY  79          2HA       GLY  79  10.962  12.930 -11.937
  557    H    SER  80           H        SER  80  11.023  11.755  -8.811
  558    HA   SER  80           HA       SER  80  11.755  14.028  -7.338
  559   1HB   SER  80          2HB       SER  80  13.000  11.542  -6.447
  560   2HB   SER  80          1HB       SER  80  11.824  12.570  -5.626
  561    HG   SER  80           HG       SER  80  11.026  10.450  -6.153
  562    H    GLY  81           H        GLY  81  13.517  12.102  -9.607
  563   1HA   GLY  81          1HA       GLY  81  16.146  12.862  -8.697
  564   2HA   GLY  81          2HA       GLY  81  15.743  12.128 -10.246
  565    H    GLY  82           H        GLY  82  13.671  14.284 -10.616
  566   1HA   GLY  82          1HA       GLY  82  15.532  16.395 -11.501
  567   2HA   GLY  82          2HA       GLY  82  13.978  16.051 -12.253
  568    H    ASP  83           H        ASP  83  14.091  15.892  -8.845
  569    HA   ASP  83           HA       ASP  83  12.719  18.495  -8.681
  570   1HB   ASP  83          2HB       ASP  83  11.584  16.141  -8.100
  571   2HB   ASP  83          1HB       ASP  83  12.341  16.462  -6.542
  572    H    VAL  84           H        VAL  84  15.605  17.345  -8.243
  573    HA   VAL  84           HA       VAL  84  16.064  18.707  -5.674
  574    HB   VAL  84           HB       VAL  84  18.429  17.386  -6.642
  575   1HG1  VAL  84          1HG1      VAL  84  17.278  16.187  -4.298
  576   2HG1  VAL  84          2HG1      VAL  84  18.716  17.197  -4.452
  577   3HG1  VAL  84          3HG1      VAL  84  17.134  17.943  -4.229
  578   1HG2  VAL  84          1HG2      VAL  84  16.636  15.923  -7.721
  579   2HG2  VAL  84          2HG2      VAL  84  17.829  15.119  -6.703
  580   3HG2  VAL  84          3HG2      VAL  84  16.213  15.439  -6.079
  581    H    MET  85           H        MET  85  18.535  19.585  -5.790
  582    HA   MET  85           HA       MET  85  18.463  21.611  -7.847
  583   1HB   MET  85          2HB       MET  85  20.329  21.065  -5.540
  584   2HB   MET  85          1HB       MET  85  20.621  22.349  -6.707
  585   1HG   MET  85          2HG       MET  85  19.474  23.614  -5.267
  586   2HG   MET  85          1HG       MET  85  18.057  22.869  -6.002
  587   1HE   MET  85          1HE       MET  85  19.463  23.357  -2.133
  588   2HE   MET  85          2HE       MET  85  20.230  21.772  -2.230
  589   3HE   MET  85          3HE       MET  85  20.601  23.006  -3.434
  590    H    VAL  86           H        VAL  86  18.602  19.645  -9.385
  591    HA   VAL  86           HA       VAL  86  21.395  18.895  -9.860
  592    HB   VAL  86           HB       VAL  86  19.995  16.971  -9.671
  593   1HG1  VAL  86          1HG1      VAL  86  18.007  16.567 -10.953
  594   2HG1  VAL  86          2HG1      VAL  86  17.845  18.107 -10.106
  595   3HG1  VAL  86          3HG1      VAL  86  18.216  18.081 -11.831
  596   1HG2  VAL  86          1HG2      VAL  86  19.971  16.500 -12.423
  597   2HG2  VAL  86          2HG2      VAL  86  21.304  17.621 -12.152
  598   3HG2  VAL  86          3HG2      VAL  86  21.246  16.090 -11.278
  599    H    VAL  87           H        VAL  87  22.413  20.209 -11.202
  600    HA   VAL  87           HA       VAL  87  20.938  21.254 -13.535
  601    HB   VAL  87           HB       VAL  87  23.507  22.462 -12.557
  602   1HG1  VAL  87          1HG1      VAL  87  22.071  24.507 -13.452
  603   2HG1  VAL  87          2HG1      VAL  87  23.005  23.472 -14.534
  604   3HG1  VAL  87          3HG1      VAL  87  21.269  23.219 -14.351
  605   1HG2  VAL  87          1HG2      VAL  87  20.997  22.452 -11.112
  606   2HG2  VAL  87          2HG2      VAL  87  22.578  23.061 -10.623
  607   3HG2  VAL  87          3HG2      VAL  87  21.489  24.086 -11.555
  608    H    GLY  88           H        GLY  88  23.955  19.876 -12.381
  609   1HA   GLY  88          1HA       GLY  88  24.371  18.643 -14.978
  610   2HA   GLY  88          2HA       GLY  88  25.632  19.751 -14.448
  611    H    GLU  89           H        GLU  89  25.743  16.871 -14.923
  612    HA   GLU  89           HA       GLU  89  26.613  14.980 -14.035
  613   1HB   GLU  89          2HB       GLU  89  27.623  16.754 -11.809
  614   2HB   GLU  89          1HB       GLU  89  28.261  15.186 -12.281
  615   1HG   GLU  89          2HG       GLU  89  29.354  16.017 -14.099
  616   2HG   GLU  89          1HG       GLU  89  28.212  17.342 -14.318
  617    HA   PRO  90           HA       PRO  90  23.215  14.541 -10.938
  618   1HB   PRO  90          2HB       PRO  90  21.739  12.731 -12.265
  619   2HB   PRO  90          1HB       PRO  90  21.633  14.458 -12.623
  620   1HG   PRO  90          2HG       PRO  90  23.056  12.298 -14.107
  621   2HG   PRO  90          1HG       PRO  90  22.167  13.697 -14.734
  622   1HD   PRO  90          2HD       PRO  90  24.927  13.537 -14.490
  623   2HD   PRO  90          1HD       PRO  90  23.999  15.042 -14.623
  624    H    THR  91           H        THR  91  25.736  13.439 -10.685
  625    HA   THR  91           HA       THR  91  25.735  10.597 -10.727
  626    HB   THR  91           HB       THR  91  27.614  11.901  -8.884
  627    HG1  THR  91           1HG      THR  91  28.102  13.512 -10.163
  628   1HG2  THR  91          1HG2      THR  91  29.222  10.582 -10.067
  629   2HG2  THR  91          2HG2      THR  91  28.102  10.314 -11.401
  630   3HG2  THR  91          3HG2      THR  91  27.791   9.581  -9.828
  631    H    LEU  92           H        LEU  92  25.288  13.021  -8.184
  632    HA   LEU  92           HA       LEU  92  24.088  10.917  -6.512
  633   1HB   LEU  92          2HB       LEU  92  25.901  13.154  -5.603
  634   2HB   LEU  92          1HB       LEU  92  24.940  12.171  -4.513
  635    HG   LEU  92           HG       LEU  92  26.596  10.556  -6.279
  636   1HD1  LEU  92          1HD1      LEU  92  28.121  12.153  -4.257
  637   2HD1  LEU  92          2HD1      LEU  92  28.724  11.182  -5.603
  638   3HD1  LEU  92          3HD1      LEU  92  27.937  12.731  -5.914
  639   1HD2  LEU  92          1HD2      LEU  92  27.319   9.714  -3.969
  640   2HD2  LEU  92          2HD2      LEU  92  26.077  10.795  -3.335
  641   3HD2  LEU  92          3HD2      LEU  92  25.633   9.492  -4.438
  642    H    MET  93           H        MET  93  24.413  14.428  -6.959
  643    HA   MET  93           HA       MET  93  21.826  14.927  -5.769
  644   1HB   MET  93          2HB       MET  93  24.124  16.493  -6.507
  645   2HB   MET  93          1HB       MET  93  22.675  17.201  -7.210
  646   1HG   MET  93          2HG       MET  93  22.549  16.394  -4.367
  647   2HG   MET  93          1HG       MET  93  23.530  17.801  -4.772
  648   1HE   MET  93          1HE       MET  93  21.878  18.655  -2.912
  649   2HE   MET  93          2HE       MET  93  22.157  20.037  -3.969
  650   3HE   MET  93          3HE       MET  93  20.525  19.668  -3.416
  651    H    GLY  94           H        GLY  94  20.131  14.207  -6.895
  652   1HA   GLY  94          1HA       GLY  94  18.526  14.548  -8.620
  653   2HA   GLY  94          2HA       GLY  94  19.812  15.154  -9.658
  654    H    GLY  95           H        GLY  95  20.653  12.376  -7.920
  655   1HA   GLY  95          1HA       GLY  95  20.351  10.766 -10.364
  656   2HA   GLY  95          2HA       GLY  95  21.501  10.452  -9.068
  657    H    GLU  96           H        GLU  96  18.450   9.727 -10.332
  658    HA   GLU  96           HA       GLU  96  17.589   8.477  -7.826
  659   1HB   GLU  96          2HB       GLU  96  15.497   8.035  -9.450
  660   2HB   GLU  96          1HB       GLU  96  15.681   9.502  -8.501
  661   1HG   GLU  96          2HG       GLU  96  15.154  10.349 -10.555
  662   2HG   GLU  96          1HG       GLU  96  16.915  10.388 -10.606
  663    H    PHE  97           H        PHE  97  16.384   6.340  -8.221
  664    HA   PHE  97           HA       PHE  97  17.989   4.672 -10.053
  665   1HB   PHE  97          2HB       PHE  97  17.461   4.421  -7.221
  666   2HB   PHE  97          1HB       PHE  97  16.846   3.015  -8.084
  667    HD1  PHE  97           1HD      PHE  97  19.453   3.927  -6.215
  668    HD2  PHE  97           2HD      PHE  97  18.714   2.489 -10.154
  669    HE1  PHE  97           1HE      PHE  97  21.732   3.000  -6.306
  670    HE2  PHE  97           2HE      PHE  97  20.990   1.560 -10.247
  671    HZ   PHE  97           HZ       PHE  97  22.501   1.811  -8.320
  672    H    GLY  98           H        GLY  98  15.669   6.051 -10.815
  673   1HA   GLY  98          1HA       GLY  98  13.972   5.197 -12.312
  674   2HA   GLY  98          2HA       GLY  98  13.805   3.808 -11.243
  675    H    ASP  99           H        ASP  99  13.573   7.363 -11.142
  676    HA   ASP  99           HA       ASP  99  11.861   7.285  -8.863
  677   1HB   ASP  99          2HB       ASP  99  11.708   9.695  -9.060
  678   2HB   ASP  99          1HB       ASP  99  13.373   9.174  -9.255
  679    H    GLU 100           H        GLU 100  11.167   6.385 -11.878
  680    HA   GLU 100           HA       GLU 100   8.516   7.522 -12.122
  681   1HB   GLU 100          2HB       GLU 100   9.767   5.142 -13.512
  682   2HB   GLU 100          1HB       GLU 100   8.228   5.879 -13.935
  683   1HG   GLU 100          2HG       GLU 100   9.419   7.026 -15.419
  684   2HG   GLU 100          1HG       GLU 100   9.892   8.018 -14.038
  685    H    ASP 101           H        ASP 101  10.074   5.004 -10.452
  686    HA   ASP 101           HA       ASP 101   7.747   3.358  -9.995
  687   1HB   ASP 101          2HB       ASP 101  10.047   2.424  -9.980
  688   2HB   ASP 101          1HB       ASP 101  10.418   3.400  -8.564
  689    H    GLU 102           H        GLU 102   8.776   6.319  -8.922
  690    HA   GLU 102           HA       GLU 102   7.862   6.159  -6.199
  691   1HB   GLU 102          2HB       GLU 102   8.817   8.355  -7.999
  692   2HB   GLU 102          1HB       GLU 102   7.985   8.755  -6.501
  693   1HG   GLU 102          2HG       GLU 102   9.887   6.841  -5.808
  694   2HG   GLU 102          1HG       GLU 102  10.701   7.935  -6.925
  695    H    ARG 103           H        ARG 103   6.382   8.479  -5.927
  696    HA   ARG 103           HA       ARG 103   4.224   9.169  -5.838
  697   1HB   ARG 103          2HB       ARG 103   4.901   9.203  -8.523
  698   2HB   ARG 103          1HB       ARG 103   3.391   8.302  -8.497
  699   1HG   ARG 103          2HG       ARG 103   2.911  10.451  -6.825
  700   2HG   ARG 103          1HG       ARG 103   3.868  11.130  -8.143
  701   1HD   ARG 103          2HD       ARG 103   2.306  10.447  -9.767
  702   2HD   ARG 103          1HD       ARG 103   1.490   9.361  -8.642
  703    HE   ARG 103           HE       ARG 103   0.367  11.168  -7.724
  704   1HH1  ARG 103          2HH1      ARG 103   2.730  12.253 -10.077
  705   2HH1  ARG 103          1HH1      ARG 103   2.094  13.873 -10.149
  706   1HH2  ARG 103          2HH2      ARG 103  -0.468  13.294  -7.824
  707   2HH2  ARG 103          1HH2      ARG 103   0.270  14.459  -8.886
  708    H    LEU 104           H        LEU 104   4.971   6.463  -5.188
  709    HA   LEU 104           HA       LEU 104   2.863   4.728  -6.047
  710   1HB   LEU 104          2HB       LEU 104   5.294   4.138  -5.509
  711   2HB   LEU 104          1HB       LEU 104   4.816   4.214  -3.823
  712    HG   LEU 104           HG       LEU 104   3.025   2.487  -4.438
  713   1HD1  LEU 104          1HD1      LEU 104   3.434   2.895  -6.927
  714   2HD1  LEU 104          2HD1      LEU 104   4.868   1.888  -6.725
  715   3HD1  LEU 104          3HD1      LEU 104   3.269   1.225  -6.387
  716   1HD2  LEU 104          1HD2      LEU 104   5.973   1.974  -4.320
  717   2HD2  LEU 104          2HD2      LEU 104   4.757   1.759  -3.061
  718   3HD2  LEU 104          3HD2      LEU 104   4.818   0.645  -4.427
  719    H    ILE 105           H        ILE 105   3.030   7.101  -3.719
  720    HA   ILE 105           HA       ILE 105   1.058   5.722  -2.028
  721    HB   ILE 105           HB       ILE 105   3.159   7.751  -1.349
  722   1HG1  ILE 105          2HG1      ILE 105   2.253   5.136  -0.128
  723   1HG2  ILE 105          1HG2      ILE 105   1.938   8.784   0.196
  724   2HG2  ILE 105          2HG2      ILE 105   0.514   7.932  -0.406
  725   3HG2  ILE 105          3HG2      ILE 105   1.466   7.239   0.908
  726   1HD1  ILE 105          1HD1      ILE 105   4.339   7.083   0.746
  727   2HD1  ILE 105          2HD1      ILE 105   3.131   6.225   1.705
  728   3HD1  ILE 105          3HD1      ILE 105   4.518   5.354   1.050
  729    H    THR 106           H        THR 106  -0.897   6.300  -2.558
  730    HA   THR 106           HA       THR 106  -1.443   9.107  -3.262
  731    HB   THR 106           HB       THR 106  -3.208   6.700  -3.756
  732    HG1  THR 106           1HG      THR 106  -1.817   6.257  -5.298
  733   1HG2  THR 106          1HG2      THR 106  -3.257   9.526  -4.806
  734   2HG2  THR 106          2HG2      THR 106  -4.464   8.740  -3.786
  735   3HG2  THR 106          3HG2      THR 106  -4.240   8.212  -5.454
  736    H    ARG 107           H        ARG 107  -2.306  10.265  -1.647
  737    HA   ARG 107           HA       ARG 107  -3.604   8.782   0.537
  738   1HB   ARG 107          2HB       ARG 107  -1.605   9.858   1.279
  739   2HB   ARG 107          1HB       ARG 107  -2.060  11.372   0.511
  740   1HG   ARG 107          2HG       ARG 107  -2.647  11.917   2.615
  741   2HG   ARG 107          1HG       ARG 107  -4.140  11.090   2.170
  742   1HD   ARG 107          2HD       ARG 107  -3.794   9.469   3.661
  743   2HD   ARG 107          1HD       ARG 107  -2.127   9.245   3.135
  744    HE   ARG 107           HE       ARG 107  -1.580  11.175   4.608
  745   1HH1  ARG 107          2HH1      ARG 107  -4.461   9.272   5.205
  746   2HH1  ARG 107          1HH1      ARG 107  -4.524   9.647   6.901
  747   1HH2  ARG 107          2HH2      ARG 107  -1.667  11.693   6.840
  748   2HH2  ARG 107          1HH2      ARG 107  -2.935  11.021   7.829
  749    H    LEU 108           H        LEU 108  -5.685   9.023   0.835
  750    HA   LEU 108           HA       LEU 108  -6.997  11.462  -0.148
  751   1HB   LEU 108          2HB       LEU 108  -7.728   8.979  -0.768
  752   2HB   LEU 108          1HB       LEU 108  -8.565   9.101   0.766
  753    HG   LEU 108           HG       LEU 108  -9.761   9.729  -1.500
  754   1HD1  LEU 108          1HD1      LEU 108  -9.985  11.148   1.134
  755   2HD1  LEU 108          2HD1      LEU 108 -11.117  11.429  -0.190
  756   3HD1  LEU 108          3HD1      LEU 108 -10.963   9.819   0.512
  757   1HD2  LEU 108          1HD2      LEU 108  -9.042  12.507  -0.830
  758   2HD2  LEU 108          2HD2      LEU 108  -7.797  11.571  -1.657
  759   3HD2  LEU 108          3HD2      LEU 108  -9.389  11.766  -2.394
  760    H    GLU 109           H        GLU 109  -7.086  12.916   1.417
  761    HA   GLU 109           HA       GLU 109  -7.831  12.025   4.122
  762   1HB   GLU 109          2HB       GLU 109  -5.424  13.277   3.288
  763   2HB   GLU 109          1HB       GLU 109  -6.336  14.455   4.223
  764   1HG   GLU 109          2HG       GLU 109  -6.144  11.747   5.367
  765   2HG   GLU 109          1HG       GLU 109  -4.655  12.693   5.316
  766    H    ASN 110           H        ASN 110  -9.475  13.072   5.032
  767    HA   ASN 110           HA       ASN 110 -11.098  14.834   3.558
  768   1HB   ASN 110          2HB       ASN 110 -11.499  13.260   5.711
  769   2HB   ASN 110          1HB       ASN 110 -11.369  14.825   6.506
  770   1HD2  ASN 110          1HD2      ASN 110 -13.366  15.321   7.041
  771   2HD2  ASN 110          2HD2      ASN 110 -14.726  15.342   5.964
  772    H    THR 111           H        THR 111  -8.560  15.399   5.915
  773    HA   THR 111           HA       THR 111  -9.244  18.226   6.094
  774    HB   THR 111           HB       THR 111  -6.778  17.547   7.427
  775    HG1  THR 111           1HG      THR 111  -7.615  15.431   7.508
  776   1HG2  THR 111          1HG2      THR 111  -8.087  18.298   9.409
  777   2HG2  THR 111          2HG2      THR 111  -9.514  18.395   8.377
  778   3HG2  THR 111          3HG2      THR 111  -8.125  19.437   8.063
  779    H    GLN 112           H        GLN 112  -7.571  16.386   3.962
  780    HA   GLN 112           HA       GLN 112  -5.570  18.486   3.452
  781   1HB   GLN 112          2HB       GLN 112  -4.658  16.221   3.907
  782   2HB   GLN 112          1HB       GLN 112  -5.526  15.618   2.502
  783   1HG   GLN 112          2HG       GLN 112  -4.232  17.088   1.057
  784   2HG   GLN 112          1HG       GLN 112  -3.372  17.721   2.459
  785   1HE2  GLN 112          1HE2      GLN 112  -3.034  15.746  -0.061
  786   2HE2  GLN 112          2HE2      GLN 112  -1.904  14.592   0.584
  787    H    PHE 113           H        PHE 113  -7.762  16.229   1.779
  788    HA   PHE 113           HA       PHE 113  -7.503  17.756  -0.672
  789   1HB   PHE 113          2HB       PHE 113  -7.724  15.170  -0.426
  790   2HB   PHE 113          1HB       PHE 113  -9.446  15.502  -0.290
  791    HD1  PHE 113           1HD      PHE 113  -6.535  15.592  -2.499
  792    HD2  PHE 113           2HD      PHE 113 -10.723  16.264  -2.177
  793    HE1  PHE 113           1HE      PHE 113  -6.704  15.687  -4.950
  794    HE2  PHE 113           2HE      PHE 113 -10.901  16.361  -4.628
  795    HZ   PHE 113           HZ       PHE 113  -8.889  16.073  -6.018
  796    H    ASP 114           H        ASP 114 -10.439  16.521   0.929
  797    HA   ASP 114           HA       ASP 114 -11.593  19.157   1.100
  798   1HB   ASP 114          2HB       ASP 114 -12.000  18.536  -1.278
  799   2HB   ASP 114          1HB       ASP 114 -12.857  17.098  -0.730
  800    H    ALA 115           H        ALA 115 -13.197  19.232   2.625
  801    HA   ALA 115           HA       ALA 115 -13.493  16.865   4.254
  802   1HB   ALA 115          1HB       ALA 115 -15.114  18.742   5.397
  803   2HB   ALA 115          2HB       ALA 115 -13.401  18.526   5.752
  804   3HB   ALA 115          3HB       ALA 115 -13.911  19.741   4.582
  805    H    ALA 116           H        ALA 116 -14.614  15.683   2.534
  806    HA   ALA 116           HA       ALA 116 -17.377  16.491   2.055
  807   1HB   ALA 116          1HB       ALA 116 -16.943  14.065   0.768
  808   2HB   ALA 116          2HB       ALA 116 -16.895  15.670   0.041
  809   3HB   ALA 116          3HB       ALA 116 -15.410  14.925   0.629
  810    H    ASN 117           H        ASN 117 -19.146  15.154   2.528
  811    HA   ASN 117           HA       ASN 117 -18.613  13.192   4.663
  812   1HB   ASN 117          2HB       ASN 117 -19.982  14.826   5.628
  813   2HB   ASN 117          1HB       ASN 117 -20.916  15.056   4.154
  814   1HD2  ASN 117          1HD2      ASN 117 -22.911  14.423   4.406
  815   2HD2  ASN 117          2HD2      ASN 117 -23.446  13.026   5.291
  816    H    GLY 118           H        GLY 118 -18.879  11.143   4.145
  817   1HA   GLY 118          1HA       GLY 118 -19.944   9.270   3.191
  818   2HA   GLY 118          2HA       GLY 118 -20.927  10.351   2.211
  819    H    ILE 119           H        ILE 119 -20.433  10.473   0.129
  820    HA   ILE 119           HA       ILE 119 -17.736  10.605  -0.774
  821    HB   ILE 119           HB       ILE 119 -17.752   8.217  -0.553
  822   1HG1  ILE 119          2HG1      ILE 119 -17.696   7.587  -3.103
  823   1HG2  ILE 119          1HG2      ILE 119 -19.412   6.871  -1.947
  824   2HG2  ILE 119          2HG2      ILE 119 -19.999   7.599  -0.453
  825   3HG2  ILE 119          3HG2      ILE 119 -20.371   8.351  -2.004
  826   1HD1  ILE 119          1HD1      ILE 119 -15.862   9.833  -2.427
  827   2HD1  ILE 119          2HD1      ILE 119 -15.753   8.305  -1.549
  828   3HD1  ILE 119          3HD1      ILE 119 -15.536   8.335  -3.300
  829    H    ASP 120           H        ASP 120 -17.745  11.994  -2.384
  830    HA   ASP 120           HA       ASP 120 -20.233  12.383  -3.909
  831   1HB   ASP 120          2HB       ASP 120 -19.395  14.381  -2.767
  832   2HB   ASP 120          1HB       ASP 120 -17.836  14.206  -3.563
  833    H    ASP 121           H        ASP 121 -16.885  13.133  -4.791
  834    HA   ASP 121           HA       ASP 121 -16.586  11.013  -6.638
  835   1HB   ASP 121          2HB       ASP 121 -18.263  12.308  -7.918
  836   2HB   ASP 121          1HB       ASP 121 -17.193  13.706  -7.880
  837    H    GLU 122           H        GLU 122 -14.485  10.692  -6.549
  838    HA   GLU 122           HA       GLU 122 -12.710  13.041  -6.432
  839   1HB   GLU 122          2HB       GLU 122 -12.524  10.377  -5.040
  840   2HB   GLU 122          1HB       GLU 122 -11.113  11.398  -5.269
  841   1HG   GLU 122          2HG       GLU 122 -11.700  12.781  -3.625
  842   2HG   GLU 122          1HG       GLU 122 -13.391  12.809  -4.125
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -7.810 -10.747  -5.829
    2   2H    GLY   1          2H        GLY   1  -8.734  -9.736  -4.829
    3   3H    GLY   1          3H        GLY   1  -7.077  -9.929  -4.535
    4   1HA   GLY   1          2HA       GLY   1  -6.494  -8.789  -6.525
    5   2HA   GLY   1          1HA       GLY   1  -8.184  -8.734  -7.012
    6    H    SER   2           H        SER   2  -7.155  -6.371  -7.089
    7    HA   SER   2           HA       SER   2  -8.016  -5.068  -4.592
    8   1HB   SER   2          2HB       SER   2  -5.678  -4.151  -6.278
    9   2HB   SER   2          1HB       SER   2  -6.210  -3.474  -4.739
   10    HG   SER   2           HG       SER   2  -5.710  -5.516  -3.782
   11    H    LEU   3           H        LEU   3  -9.425  -5.569  -7.122
   12    HA   LEU   3           HA       LEU   3  -9.887  -2.766  -7.921
   13   1HB   LEU   3          2HB       LEU   3  -9.881  -5.301  -9.482
   14   2HB   LEU   3          1HB       LEU   3 -11.035  -4.063  -9.939
   15    HG   LEU   3           HG       LEU   3  -8.204  -3.228  -9.611
   16   1HD1  LEU   3          1HD1      LEU   3  -8.429  -3.987 -12.282
   17   2HD1  LEU   3          2HD1      LEU   3  -7.392  -4.704 -11.051
   18   3HD1  LEU   3          3HD1      LEU   3  -8.993  -5.375 -11.354
   19   1HD2  LEU   3          1HD2      LEU   3 -10.079  -1.682 -10.198
   20   2HD2  LEU   3          2HD2      LEU   3  -8.752  -1.704 -11.361
   21   3HD2  LEU   3          3HD2      LEU   3 -10.249  -2.564 -11.717
   22    H    SER   4           H        SER   4 -11.074  -3.264  -5.721
   23    HA   SER   4           HA       SER   4 -13.892  -3.704  -6.384
   24   1HB   SER   4          2HB       SER   4 -13.798  -4.944  -3.984
   25   2HB   SER   4          1HB       SER   4 -13.653  -5.807  -5.515
   26    HG   SER   4           HG       SER   4 -11.348  -4.746  -4.290
   27    H    TRP   5           H        TRP   5 -14.608  -3.681  -3.556
   28    HA   TRP   5           HA       TRP   5 -14.534  -0.814  -3.271
   29   1HB   TRP   5          2HB       TRP   5 -16.471  -2.603  -2.783
   30   2HB   TRP   5          1HB       TRP   5 -15.772  -2.460  -1.169
   31    HD1  TRP   5           HD       TRP   5 -17.191  -0.184  -3.928
   32    HE1  TRP   5           1HE      TRP   5 -18.262   1.877  -2.776
   33    HE3  TRP   5           3HE      TRP   5 -15.882  -1.205   0.880
   34    HZ2  TRP   5           2HZ      TRP   5 -18.493   2.917  -0.139
   35    HZ3  TRP   5           3HZ      TRP   5 -16.531   0.345   2.661
   36    HH2  TRP   5           HH       TRP   5 -17.815   2.373   2.165
   37    H    LYS   6           H        LYS   6 -12.742  -0.027  -2.499
   38    HA   LYS   6           HA       LYS   6 -10.930   0.346  -1.176
   39   1HB   LYS   6          2HB       LYS   6 -13.300   0.172   0.459
   40   2HB   LYS   6          1HB       LYS   6 -11.855  -0.231   1.379
   41   1HG   LYS   6          2HG       LYS   6 -12.287   2.118   1.584
   42   2HG   LYS   6          1HG       LYS   6 -10.828   1.889   0.614
   43   1HD   LYS   6          2HD       LYS   6 -12.343   2.083  -1.424
   44   2HD   LYS   6          1HD       LYS   6 -13.588   2.662  -0.314
   45   1HE   LYS   6          2HE       LYS   6 -11.774   4.336   0.462
   46   2HE   LYS   6          1HE       LYS   6 -10.972   3.925  -1.054
   47   1HZ   LYS   6          1HZ       LYS   6 -12.813   5.858  -0.769
   48   2HZ   LYS   6          2HZ       LYS   6 -13.776   4.572  -1.321
   49   3HZ   LYS   6          3HZ       LYS   6 -12.446   5.087  -2.236
   50    H    ARG   7           H        ARG   7 -11.784  -1.720   1.322
   51    HA   ARG   7           HA       ARG   7 -10.956  -3.638   2.192
   52   1HB   ARG   7          2HB       ARG   7 -11.788  -4.522  -0.036
   53   2HB   ARG   7          1HB       ARG   7 -10.133  -4.398  -0.613
   54   1HG   ARG   7          2HG       ARG   7 -10.377  -5.838   1.912
   55   2HG   ARG   7          1HG       ARG   7 -11.250  -6.592   0.577
   56   1HD   ARG   7          2HD       ARG   7  -9.315  -7.473  -0.071
   57   2HD   ARG   7          1HD       ARG   7  -8.803  -5.845  -0.513
   58    HE   ARG   7           HE       ARG   7  -7.959  -5.702   1.857
   59   1HH1  ARG   7          2HH1      ARG   7  -8.132  -8.722   0.088
   60   2HH1  ARG   7          1HH1      ARG   7  -6.922  -9.512   1.064
   61   1HH2  ARG   7          2HH2      ARG   7  -6.379  -6.716   3.125
   62   2HH2  ARG   7          1HH2      ARG   7  -5.937  -8.373   2.809
   63    H    CYS   8           H        CYS   8  -9.341  -2.744   3.385
   64    HA   CYS   8           HA       CYS   8  -6.853  -1.883   2.417
   65   1HB   CYS   8          2HB       CYS   8  -7.627  -1.169   4.574
   66   2HB   CYS   8          1HB       CYS   8  -7.753  -2.830   5.136
   67    H    ALA   9           H        ALA   9  -5.077  -2.941   1.862
   68    HA   ALA   9           HA       ALA   9  -5.056  -5.849   1.991
   69   1HB   ALA   9          1HB       ALA   9  -3.744  -5.758   0.179
   70   2HB   ALA   9          2HB       ALA   9  -4.176  -4.049   0.114
   71   3HB   ALA   9          3HB       ALA   9  -2.678  -4.551   0.900
   72    H    GLY  10           H        GLY  10  -4.257  -3.449   4.052
   73   1HA   GLY  10          1HA       GLY  10  -1.729  -4.546   4.989
   74   2HA   GLY  10          2HA       GLY  10  -2.573  -3.154   5.649
   75    H    CYS  11           H        CYS  11  -4.973  -4.027   6.377
   76    HA   CYS  11           HA       CYS  11  -4.337  -6.135   8.322
   77   1HB   CYS  11          2HB       CYS  11  -6.216  -5.234   9.673
   78   2HB   CYS  11          1HB       CYS  11  -4.925  -4.069   9.421
   79    H    GLY  12           H        GLY  12  -6.866  -4.996   6.131
   80   1HA   GLY  12          1HA       GLY  12  -7.897  -6.638   4.654
   81   2HA   GLY  12          2HA       GLY  12  -7.824  -7.784   5.987
   82    H    GLY  13           H        GLY  13  -9.717  -5.477   4.387
   83   1HA   GLY  13          1HA       GLY  13 -12.113  -6.004   5.400
   84   2HA   GLY  13          2HA       GLY  13 -11.438  -4.941   6.628
   85    H    LYS  14           H        LYS  14 -13.677  -4.575   4.833
   86    HA   LYS  14           HA       LYS  14 -13.034  -2.655   2.840
   87   1HB   LYS  14          2HB       LYS  14 -15.502  -3.674   4.110
   88   2HB   LYS  14          1HB       LYS  14 -15.598  -2.053   3.435
   89   1HG   LYS  14          2HG       LYS  14 -14.758  -2.952   1.283
   90   2HG   LYS  14          1HG       LYS  14 -14.825  -4.571   1.979
   91   1HD   LYS  14          2HD       LYS  14 -17.319  -3.216   2.401
   92   2HD   LYS  14          1HD       LYS  14 -16.887  -3.165   0.691
   93   1HE   LYS  14          2HE       LYS  14 -16.293  -5.733   1.266
   94   2HE   LYS  14          1HE       LYS  14 -17.614  -5.452   2.399
   95   1HZ   LYS  14          1HZ       LYS  14 -17.814  -6.037  -0.292
   96   2HZ   LYS  14          2HZ       LYS  14 -18.269  -4.408  -0.150
   97   3HZ   LYS  14          3HZ       LYS  14 -19.070  -5.592   0.757
   98    H    ILE  15           H        ILE  15 -11.791  -1.058   3.544
   99    HA   ILE  15           HA       ILE  15 -11.624   0.100   5.972
  100    HB   ILE  15           HB       ILE  15 -11.272   1.821   3.542
  101   1HG1  ILE  15          2HG1      ILE  15  -9.466  -0.449   4.411
  102   1HG2  ILE  15          1HG2      ILE  15 -10.672   2.155   6.208
  103   2HG2  ILE  15          2HG2      ILE  15  -9.131   1.671   5.498
  104   3HG2  ILE  15          3HG2      ILE  15  -9.991   3.073   4.865
  105   1HD1  ILE  15          1HD1      ILE  15  -8.798   1.918   3.009
  106   2HD1  ILE  15          2HD1      ILE  15  -7.791   0.510   3.344
  107   3HD1  ILE  15          3HD1      ILE  15  -8.764   0.571   1.872
  108    H    ALA  16           H        ALA  16 -13.093   1.970   3.324
  109    HA   ALA  16           HA       ALA  16 -14.755   3.510   3.252
  110   1HB   ALA  16          1HB       ALA  16 -15.799   1.721   5.425
  111   2HB   ALA  16          2HB       ALA  16 -16.698   3.124   4.851
  112   3HB   ALA  16          3HB       ALA  16 -16.299   1.816   3.738
  113    H    ASP  17           H        ASP  17 -12.403   3.768   5.181
  114    HA   ASP  17           HA       ASP  17 -13.430   5.559   7.218
  115   1HB   ASP  17          2HB       ASP  17 -10.783   4.361   6.560
  116   2HB   ASP  17          1HB       ASP  17 -10.792   5.878   7.450
  117    H    ARG  18           H        ARG  18 -12.511   7.745   7.444
  118    HA   ARG  18           HA       ARG  18 -12.523   9.149   4.880
  119   1HB   ARG  18          2HB       ARG  18 -13.807  10.063   6.768
  120   2HB   ARG  18          1HB       ARG  18 -12.344  10.154   7.736
  121   1HG   ARG  18          2HG       ARG  18 -12.360  12.295   7.076
  122   2HG   ARG  18          1HG       ARG  18 -11.594  11.647   5.628
  123   1HD   ARG  18          2HD       ARG  18 -14.412  12.549   6.046
  124   2HD   ARG  18          1HD       ARG  18 -13.278  12.976   4.768
  125    HE   ARG  18           HE       ARG  18 -14.678  10.386   4.970
  126   1HH1  ARG  18          2HH1      ARG  18 -13.196  12.946   3.073
  127   2HH1  ARG  18          1HH1      ARG  18 -13.590  12.214   1.546
  128   1HH2  ARG  18          2HH2      ARG  18 -15.206   9.431   2.964
  129   2HH2  ARG  18          1HH2      ARG  18 -14.794  10.249   1.481
  130    H    PHE  19           H        PHE  19 -10.230   7.436   6.267
  131    HA   PHE  19           HA       PHE  19  -8.189   8.999   4.984
  132   1HB   PHE  19          2HB       PHE  19  -8.205   8.606   7.961
  133   2HB   PHE  19          1HB       PHE  19  -6.672   8.721   7.093
  134    HD1  PHE  19           1HD      PHE  19  -8.257  10.598   9.183
  135    HD2  PHE  19           2HD      PHE  19  -7.424  10.718   5.005
  136    HE1  PHE  19           1HE      PHE  19  -8.495  13.047   9.201
  137    HE2  PHE  19           2HE      PHE  19  -7.647  13.160   5.030
  138    HZ   PHE  19           HZ       PHE  19  -8.197  14.323   7.116
  139    H    LEU  20           H        LEU  20  -7.328   7.535   3.687
  140    HA   LEU  20           HA       LEU  20  -6.132   5.168   4.798
  141   1HB   LEU  20          2HB       LEU  20  -7.298   3.529   3.607
  142   2HB   LEU  20          1HB       LEU  20  -8.549   4.559   4.272
  143    HG   LEU  20           HG       LEU  20  -8.255   5.719   1.856
  144   1HD1  LEU  20          1HD1      LEU  20  -8.295   3.140   0.678
  145   2HD1  LEU  20          2HD1      LEU  20  -7.176   4.473   0.379
  146   3HD1  LEU  20          3HD1      LEU  20  -6.818   3.283   1.631
  147   1HD2  LEU  20          1HD2      LEU  20 -10.077   3.912   3.131
  148   2HD2  LEU  20          2HD2      LEU  20 -10.404   5.207   1.976
  149   3HD2  LEU  20          3HD2      LEU  20 -10.003   3.590   1.396
  150    H    LEU  21           H        LEU  21  -4.531   4.350   3.475
  151    HA   LEU  21           HA       LEU  21  -3.690   6.159   1.363
  152   1HB   LEU  21          2HB       LEU  21  -2.304   5.010   3.383
  153   2HB   LEU  21          1HB       LEU  21  -2.023   3.838   2.112
  154    HG   LEU  21           HG       LEU  21  -1.593   6.590   1.241
  155   1HD1  LEU  21          1HD1      LEU  21  -0.305   5.583   3.696
  156   2HD1  LEU  21          2HD1      LEU  21   0.750   6.335   2.499
  157   3HD1  LEU  21          3HD1      LEU  21  -0.612   7.238   3.166
  158   1HD2  LEU  21          1HD2      LEU  21  -0.635   3.915   0.766
  159   2HD2  LEU  21          2HD2      LEU  21  -0.532   5.346  -0.260
  160   3HD2  LEU  21          3HD2      LEU  21   0.704   5.045   0.960
  161    H    TYR  22           H        TYR  22  -3.339   5.534  -0.739
  162    HA   TYR  22           HA       TYR  22  -4.087   2.752  -1.394
  163   1HB   TYR  22          2HB       TYR  22  -4.197   4.916  -3.476
  164   2HB   TYR  22          1HB       TYR  22  -4.989   3.355  -3.463
  165    HD1  TYR  22           1HD      TYR  22  -5.062   6.590  -1.540
  166    HD2  TYR  22           2HD      TYR  22  -7.245   3.273  -3.070
  167    HE1  TYR  22           1HE      TYR  22  -7.167   7.627  -0.790
  168    HE2  TYR  22           2HE      TYR  22  -9.343   4.305  -2.339
  169    HH   TYR  22           HH       TYR  22  -9.377   7.440  -0.684
  170    H    ALA  23           H        ALA  23  -2.476   1.559  -2.253
  171    HA   ALA  23           HA       ALA  23  -0.267   2.870  -3.634
  172   1HB   ALA  23          1HB       ALA  23   0.773   3.043  -1.608
  173   2HB   ALA  23          2HB       ALA  23  -0.050   1.634  -0.937
  174   3HB   ALA  23          3HB       ALA  23   1.286   1.419  -2.070
  175    H    MET  24           H        MET  24   0.604   1.635  -5.178
  176    HA   MET  24           HA       MET  24   0.943  -0.093  -6.608
  177   1HB   MET  24          2HB       MET  24   0.927  -1.387  -3.975
  178   2HB   MET  24          1HB       MET  24   0.503  -2.465  -5.297
  179   1HG   MET  24          2HG       MET  24   2.854  -0.762  -5.756
  180   2HG   MET  24          1HG       MET  24   3.022  -1.977  -4.487
  181   1HE   MET  24          1HE       MET  24   1.427  -4.307  -5.184
  182   2HE   MET  24          2HE       MET  24   2.258  -5.284  -6.393
  183   3HE   MET  24          3HE       MET  24   3.145  -4.662  -5.002
  184    H    ASP  25           H        ASP  25  -1.624   1.094  -6.259
  185    HA   ASP  25           HA       ASP  25  -3.757   0.933  -6.944
  186   1HB   ASP  25          2HB       ASP  25  -2.368  -1.080  -8.549
  187   2HB   ASP  25          1HB       ASP  25  -4.092  -1.398  -8.364
  188    H    SER  26           H        SER  26  -2.657  -0.650  -4.552
  189    HA   SER  26           HA       SER  26  -5.160  -2.115  -4.040
  190   1HB   SER  26          2HB       SER  26  -2.834  -2.495  -2.219
  191   2HB   SER  26          1HB       SER  26  -4.059  -3.652  -2.733
  192    HG   SER  26           HG       SER  26  -2.511  -2.835  -4.810
  193    H    TYR  27           H        TYR  27  -6.130  -1.713  -1.960
  194    HA   TYR  27           HA       TYR  27  -5.506   1.010  -1.058
  195   1HB   TYR  27          2HB       TYR  27  -8.040  -0.593  -0.653
  196   2HB   TYR  27          1HB       TYR  27  -7.802   1.103  -0.246
  197    HD1  TYR  27           1HD      TYR  27 -10.057   0.320  -1.929
  198    HD2  TYR  27           2HD      TYR  27  -6.052   1.213  -3.049
  199    HE1  TYR  27           1HE      TYR  27 -10.829   0.950  -4.173
  200    HE2  TYR  27           2HE      TYR  27  -6.816   1.845  -5.297
  201    HH   TYR  27           HH       TYR  27  -8.728   2.495  -6.475
  202    H    TRP  28           H        TRP  28  -5.120   1.501   1.042
  203    HA   TRP  28           HA       TRP  28  -4.786  -0.734   2.941
  204   1HB   TRP  28          2HB       TRP  28  -2.746   1.418   2.322
  205   2HB   TRP  28          1HB       TRP  28  -2.565   0.157   3.527
  206    HD1  TRP  28           HD       TRP  28  -2.916   0.444  -0.334
  207    HE1  TRP  28           1HE      TRP  28  -1.459  -1.393  -1.393
  208    HE3  TRP  28           3HE      TRP  28  -1.326  -1.882   3.932
  209    HZ2  TRP  28           2HZ      TRP  28   0.157  -3.541  -0.528
  210    HZ3  TRP  28           3HZ      TRP  28   0.179  -3.814   3.728
  211    HH2  TRP  28           HH       TRP  28   0.904  -4.626   1.544
  212    H    HIS  29           H        HIS  29  -3.833   0.354   5.057
  213    HA   HIS  29           HA       HIS  29  -5.355   2.811   5.644
  214   1HB   HIS  29          2HB       HIS  29  -4.346   0.600   7.403
  215   2HB   HIS  29          1HB       HIS  29  -4.497   2.223   8.063
  216    HD2  HIS  29           2HD      HIS  29  -7.238   3.252   7.800
  217    HE1  HIS  29           1HE      HIS  29  -8.772  -0.691   8.052
  218    HE2  HIS  29           2HE      HIS  29  -9.313   1.781   8.345
  219    H    SER  30           H        SER  30  -4.080   4.405   6.950
  220    HA   SER  30           HA       SER  30  -1.694   5.073   5.676
  221   1HB   SER  30          2HB       SER  30  -2.045   6.102   8.420
  222   2HB   SER  30          1HB       SER  30  -1.843   6.978   6.902
  223    HG   SER  30           HG       SER  30  -4.006   6.959   8.126
  224    H    ARG  31           H        ARG  31  -2.263   3.470   8.800
  225    HA   ARG  31           HA       ARG  31   0.615   3.120   9.138
  226   1HB   ARG  31          2HB       ARG  31  -1.166   3.779  10.970
  227   2HB   ARG  31          1HB       ARG  31  -1.361   2.035  11.087
  228   1HG   ARG  31          2HG       ARG  31   0.647   1.738  12.060
  229   2HG   ARG  31          1HG       ARG  31   1.413   3.018  11.118
  230   1HD   ARG  31          2HD       ARG  31  -0.487   3.474  13.412
  231   2HD   ARG  31          1HD       ARG  31   1.271   3.515  13.540
  232    HE   ARG  31           HE       ARG  31  -0.428   5.466  12.148
  233   1HH1  ARG  31          2HH1      ARG  31   2.773   4.416  13.113
  234   2HH1  ARG  31          1HH1      ARG  31   3.472   6.007  12.999
  235   1HH2  ARG  31          2HH2      ARG  31   0.487   7.561  11.979
  236   2HH2  ARG  31          1HH2      ARG  31   2.165   7.800  12.378
  237    H    CYS  32           H        CYS  32  -1.804   1.438   7.616
  238    HA   CYS  32           HA       CYS  32  -0.925  -1.204   8.411
  239   1HB   CYS  32          2HB       CYS  32  -3.006  -0.160   6.532
  240   2HB   CYS  32          1HB       CYS  32  -2.482  -1.836   6.414
  241    H    LEU  33           H        LEU  33  -0.570   0.969   5.650
  242    HA   LEU  33           HA       LEU  33   0.897  -0.824   4.007
  243   1HB   LEU  33          2HB       LEU  33  -0.086   1.222   3.110
  244   2HB   LEU  33          1HB       LEU  33   0.947   2.197   4.140
  245    HG   LEU  33           HG       LEU  33   2.900   1.031   2.888
  246   1HD1  LEU  33          1HD1      LEU  33   2.248  -0.507   1.415
  247   2HD1  LEU  33          2HD1      LEU  33   0.574   0.044   1.455
  248   3HD1  LEU  33          3HD1      LEU  33   1.740   0.843   0.400
  249   1HD2  LEU  33          1HD2      LEU  33   1.113   3.107   1.639
  250   2HD2  LEU  33          2HD2      LEU  33   2.509   3.376   2.682
  251   3HD2  LEU  33          3HD2      LEU  33   2.733   2.723   1.060
  252    H    LYS  34           H        LYS  34   1.897   1.818   6.105
  253    HA   LYS  34           HA       LYS  34   3.880   2.355   7.127
  254   1HB   LYS  34          2HB       LYS  34   4.547   0.545   8.753
  255   2HB   LYS  34          1HB       LYS  34   2.884   1.099   8.830
  256   1HG   LYS  34          2HG       LYS  34   2.462  -1.101   8.936
  257   2HG   LYS  34          1HG       LYS  34   2.583  -0.994   7.180
  258   1HD   LYS  34          2HD       LYS  34   5.174  -1.363   7.809
  259   2HD   LYS  34          1HD       LYS  34   4.409  -2.234   9.141
  260   1HE   LYS  34          2HE       LYS  34   4.252  -2.757   6.197
  261   2HE   LYS  34          1HE       LYS  34   4.676  -3.866   7.499
  262   1HZ   LYS  34          1HZ       LYS  34   2.491  -4.380   6.700
  263   2HZ   LYS  34          2HZ       LYS  34   1.973  -2.779   6.910
  264   3HZ   LYS  34          3HZ       LYS  34   2.354  -3.733   8.260
  265    H    CYS  35           H        CYS  35   5.940   1.366   7.984
  266    HA   CYS  35           HA       CYS  35   7.608   1.315   5.691
  267   1HB   CYS  35          2HB       CYS  35   7.866   1.562   8.639
  268   2HB   CYS  35          1HB       CYS  35   9.285   1.162   7.717
  269    H    SER  36           H        SER  36   9.591  -0.124   5.720
  270    HA   SER  36           HA       SER  36   8.801  -2.894   6.165
  271   1HB   SER  36          2HB       SER  36  11.475  -2.533   5.132
  272   2HB   SER  36          1HB       SER  36  10.078  -3.297   4.366
  273    HG   SER  36           HG       SER  36   9.405  -1.290   3.635
  274    H    SER  37           H        SER  37  11.472  -0.679   7.006
  275    HA   SER  37           HA       SER  37  12.217  -2.536   9.158
  276   1HB   SER  37          2HB       SER  37  14.019  -0.300   8.385
  277   2HB   SER  37          1HB       SER  37  14.411  -1.958   8.841
  278    HG   SER  37           HG       SER  37  13.444  -0.984   6.359
  279    H    CYS  38           H        CYS  38  11.942   0.995   8.554
  280    HA   CYS  38           HA       CYS  38  12.360   1.757  11.211
  281   1HB   CYS  38          2HB       CYS  38  10.571   3.502   9.655
  282   2HB   CYS  38          1HB       CYS  38  12.112   3.862  10.426
  283    H    GLN  39           H        GLN  39   9.423   0.893   9.527
  284    HA   GLN  39           HA       GLN  39   7.316   0.435  10.193
  285   1HB   GLN  39          2HB       GLN  39   8.881  -0.096  12.606
  286   2HB   GLN  39          1HB       GLN  39   7.209   0.336  12.937
  287   1HG   GLN  39          2HG       GLN  39   7.175  -1.974  12.762
  288   2HG   GLN  39          1HG       GLN  39   6.593  -1.417  11.192
  289   1HE2  GLN  39          1HE2      GLN  39   7.585  -2.122   9.425
  290   2HE2  GLN  39          2HE2      GLN  39   9.079  -2.997   9.394
  291    H    ALA  40           H        ALA  40   7.987   3.100   9.734
  292    HA   ALA  40           HA       ALA  40   6.410   4.551  11.722
  293   1HB   ALA  40          1HB       ALA  40   7.980   6.102  11.381
  294   2HB   ALA  40          2HB       ALA  40   8.607   5.260   9.964
  295   3HB   ALA  40          3HB       ALA  40   7.243   6.366   9.801
  296    H    GLN  41           H        GLN  41   5.507   6.538   9.939
  297    HA   GLN  41           HA       GLN  41   3.481   5.007   8.462
  298   1HB   GLN  41          2HB       GLN  41   3.088   6.973  10.277
  299   2HB   GLN  41          1HB       GLN  41   3.143   7.924   8.799
  300   1HG   GLN  41          2HG       GLN  41   1.467   5.544   8.596
  301   2HG   GLN  41          1HG       GLN  41   0.933   6.697   9.819
  302   1HE2  GLN  41          1HE2      GLN  41   0.006   8.570   9.205
  303   2HE2  GLN  41          2HE2      GLN  41  -0.254   9.033   7.556
  304    H    LEU  42           H        LEU  42   3.668   4.898   6.358
  305    HA   LEU  42           HA       LEU  42   5.793   6.020   4.960
  306   1HB   LEU  42          2HB       LEU  42   3.388   4.449   4.287
  307   2HB   LEU  42          1HB       LEU  42   4.107   5.335   2.959
  308    HG   LEU  42           HG       LEU  42   4.845   2.814   3.942
  309   1HD1  LEU  42          1HD1      LEU  42   6.770   3.240   2.239
  310   2HD1  LEU  42          2HD1      LEU  42   5.096   3.146   1.687
  311   3HD1  LEU  42          3HD1      LEU  42   5.868   4.717   1.895
  312   1HD2  LEU  42          1HD2      LEU  42   7.141   4.714   4.319
  313   2HD2  LEU  42          2HD2      LEU  42   6.148   4.141   5.658
  314   3HD2  LEU  42          3HD2      LEU  42   7.070   2.991   4.691
  315    H    GLY  43           H        GLY  43   2.486   7.169   5.317
  316   1HA   GLY  43          1HA       GLY  43   2.945   9.260   3.318
  317   2HA   GLY  43          2HA       GLY  43   1.409   8.872   4.075
  318    H    ASP  44           H        ASP  44   3.539   8.904   6.533
  319    HA   ASP  44           HA       ASP  44   2.689  11.552   7.369
  320   1HB   ASP  44          2HB       ASP  44   2.683   9.545   8.900
  321   2HB   ASP  44          1HB       ASP  44   4.442   9.605   8.874
  322    H    ILE  45           H        ILE  45   5.501   9.947   6.188
  323    HA   ILE  45           HA       ILE  45   7.297  12.133   6.864
  324    HB   ILE  45           HB       ILE  45   9.013  10.778   5.706
  325   1HG1  ILE  45          2HG1      ILE  45   7.130   8.478   5.494
  326   1HG2  ILE  45          1HG2      ILE  45   7.377   9.740   7.949
  327   2HG2  ILE  45          2HG2      ILE  45   8.594   8.661   7.267
  328   3HG2  ILE  45          3HG2      ILE  45   9.070  10.232   7.912
  329   1HD1  ILE  45          1HD1      ILE  45   8.493   8.023   3.455
  330   2HD1  ILE  45          2HD1      ILE  45   9.515   9.389   3.911
  331   3HD1  ILE  45          3HD1      ILE  45   9.390   7.986   4.973
  332    H    GLY  46           H        GLY  46   4.974  11.778   4.659
  333   1HA   GLY  46          1HA       GLY  46   4.887  13.661   2.991
  334   2HA   GLY  46          2HA       GLY  46   6.477  13.092   2.488
  335    H    THR  47           H        THR  47   5.239  12.949   0.369
  336    HA   THR  47           HA       THR  47   3.657  10.471   0.231
  337    HB   THR  47           HB       THR  47   4.081  11.930  -2.275
  338    HG1  THR  47           1HG      THR  47   2.473  13.600  -1.446
  339   1HG2  THR  47          1HG2      THR  47   1.475  11.418  -0.876
  340   2HG2  THR  47          2HG2      THR  47   2.357  10.124  -1.688
  341   3HG2  THR  47          3HG2      THR  47   1.798  11.523  -2.607
  342    H    SER  48           H        SER  48   5.140   8.809   0.234
  343    HA   SER  48           HA       SER  48   6.757   8.493  -2.121
  344   1HB   SER  48          2HB       SER  48   7.993   9.109   0.540
  345   2HB   SER  48          1HB       SER  48   8.828   8.026  -0.574
  346    HG   SER  48           HG       SER  48   9.501   9.774  -1.512
  347    H    SER  49           H        SER  49   7.237   6.393  -2.552
  348    HA   SER  49           HA       SER  49   7.215   4.363  -0.560
  349   1HB   SER  49          2HB       SER  49   5.311   3.175  -2.088
  350   2HB   SER  49          1HB       SER  49   4.953   4.065  -0.607
  351    HG   SER  49           HG       SER  49   3.640   4.905  -2.163
  352    H    TYR  50           H        TYR  50   8.486   2.756  -1.218
  353    HA   TYR  50           HA       TYR  50   9.174   2.609  -4.082
  354   1HB   TYR  50          2HB       TYR  50  10.769   2.223  -1.575
  355   2HB   TYR  50          1HB       TYR  50  11.224   1.329  -3.018
  356    HD1  TYR  50           1HD      TYR  50  11.619   4.353  -1.237
  357    HD2  TYR  50           2HD      TYR  50  11.559   2.754  -5.177
  358    HE1  TYR  50           1HE      TYR  50  12.933   6.271  -2.028
  359    HE2  TYR  50           2HE      TYR  50  12.867   4.677  -5.977
  360    HH   TYR  50           HH       TYR  50  13.299   7.489  -4.177
  361    H    THR  51           H        THR  51   8.693   0.757  -5.115
  362    HA   THR  51           HA       THR  51   7.942  -1.563  -3.465
  363    HB   THR  51           HB       THR  51   7.082  -1.320  -6.313
  364    HG1  THR  51           1HG      THR  51   6.420   0.432  -4.357
  365   1HG2  THR  51          1HG2      THR  51   4.995  -2.329  -4.930
  366   2HG2  THR  51          2HG2      THR  51   6.326  -2.836  -3.893
  367   3HG2  THR  51          3HG2      THR  51   6.297  -3.321  -5.589
  368    H    LYS  52           H        LYS  52   9.747  -2.749  -3.360
  369    HA   LYS  52           HA       LYS  52  10.802  -3.832  -5.857
  370   1HB   LYS  52          2HB       LYS  52  12.624  -2.776  -3.677
  371   2HB   LYS  52          1HB       LYS  52  13.122  -3.527  -5.186
  372   1HG   LYS  52          2HG       LYS  52  11.421  -1.136  -5.431
  373   2HG   LYS  52          1HG       LYS  52  13.036  -0.886  -4.786
  374   1HD   LYS  52          2HD       LYS  52  13.200  -2.639  -7.030
  375   2HD   LYS  52          1HD       LYS  52  12.262  -1.216  -7.475
  376   1HE   LYS  52          2HE       LYS  52  14.756  -0.744  -5.968
  377   2HE   LYS  52          1HE       LYS  52  14.925  -1.313  -7.626
  378   1HZ   LYS  52          1HZ       LYS  52  14.229   0.630  -8.450
  379   2HZ   LYS  52          2HZ       LYS  52  14.610   1.263  -6.925
  380   3HZ   LYS  52          3HZ       LYS  52  13.008   0.828  -7.292
  381    H    SER  53           H        SER  53  11.422  -5.949  -5.673
  382    HA   SER  53           HA       SER  53  11.580  -8.051  -4.809
  383   1HB   SER  53          2HB       SER  53  12.013  -6.657  -2.153
  384   2HB   SER  53          1HB       SER  53  12.379  -8.346  -2.513
  385    HG   SER  53           HG       SER  53  13.514  -6.409  -4.181
  386    H    GLY  54           H        GLY  54   9.026  -6.463  -4.829
  387   1HA   GLY  54          1HA       GLY  54   6.822  -6.879  -4.284
  388   2HA   GLY  54          2HA       GLY  54   7.346  -8.369  -3.510
  389    H    MET  55           H        MET  55   8.972  -5.568  -2.490
  390    HA   MET  55           HA       MET  55   7.560  -5.678   0.076
  391   1HB   MET  55          2HB       MET  55  10.321  -5.463  -0.697
  392   2HB   MET  55          1HB       MET  55   9.874  -4.054   0.254
  393   1HG   MET  55          2HG       MET  55  10.555  -5.462   1.903
  394   2HG   MET  55          1HG       MET  55   8.836  -5.855   1.850
  395   1HE   MET  55          1HE       MET  55  12.244  -6.461   0.793
  396   2HE   MET  55          2HE       MET  55  12.468  -8.120   1.353
  397   3HE   MET  55          3HE       MET  55  12.139  -7.801  -0.350
  398    H    ILE  56           H        ILE  56   7.513  -3.579   1.266
  399    HA   ILE  56           HA       ILE  56   7.023  -1.303  -0.529
  400    HB   ILE  56           HB       ILE  56   5.298  -2.246   1.755
  401   1HG1  ILE  56          2HG1      ILE  56   3.799  -1.215  -0.392
  402   1HG2  ILE  56          1HG2      ILE  56   4.959  -0.156   2.433
  403   2HG2  ILE  56          2HG2      ILE  56   5.980   0.477   1.140
  404   3HG2  ILE  56          3HG2      ILE  56   4.264   0.193   0.850
  405   1HD1  ILE  56          1HD1      ILE  56   4.388  -3.958   0.605
  406   2HD1  ILE  56          2HD1      ILE  56   2.873  -3.054   0.622
  407   3HD1  ILE  56          3HD1      ILE  56   3.478  -3.736  -0.888
  408    H    LEU  57           H        LEU  57   8.558   0.115  -0.130
  409    HA   LEU  57           HA       LEU  57   9.475   0.463   2.651
  410   1HB   LEU  57          2HB       LEU  57  11.286   1.003   0.345
  411   2HB   LEU  57          1HB       LEU  57  11.681   0.501   1.977
  412    HG   LEU  57           HG       LEU  57  10.203  -1.580   0.646
  413   1HD1  LEU  57          1HD1      LEU  57  12.420  -0.291  -0.863
  414   2HD1  LEU  57          2HD1      LEU  57  12.282  -2.049  -0.889
  415   3HD1  LEU  57          3HD1      LEU  57  10.942  -1.051  -1.455
  416   1HD2  LEU  57          1HD2      LEU  57  11.902  -2.929   1.493
  417   2HD2  LEU  57          2HD2      LEU  57  13.093  -1.629   1.435
  418   3HD2  LEU  57          3HD2      LEU  57  11.810  -1.596   2.648
  419    H    CYS  58           H        CYS  58  10.044   2.527   3.307
  420    HA   CYS  58           HA       CYS  58   8.947   4.743   1.820
  421   1HB   CYS  58          2HB       CYS  58   9.531   6.083   3.712
  422   2HB   CYS  58          1HB       CYS  58   8.921   4.561   4.352
  423    H    ARG  59           H        ARG  59  10.721   6.747   2.082
  424    HA   ARG  59           HA       ARG  59  12.701   6.127   0.106
  425   1HB   ARG  59          2HB       ARG  59  11.718   8.305   0.027
  426   2HB   ARG  59          1HB       ARG  59  12.113   8.612   1.711
  427   1HG   ARG  59          2HG       ARG  59  13.582   9.868   0.284
  428   2HG   ARG  59          1HG       ARG  59  14.501   8.624   1.130
  429   1HD   ARG  59          2HD       ARG  59  14.329   7.200  -0.900
  430   2HD   ARG  59          1HD       ARG  59  13.549   8.548  -1.730
  431    HE   ARG  59           HE       ARG  59  16.311   8.613  -0.697
  432   1HH1  ARG  59          2HH1      ARG  59  13.906   9.474  -3.099
  433   2HH1  ARG  59          1HH1      ARG  59  14.992  10.510  -3.979
  434   1HH2  ARG  59          2HH2      ARG  59  17.726   9.980  -1.853
  435   2HH2  ARG  59          1HH2      ARG  59  17.136  10.841  -3.255
  436    H    ASN  60           H        ASN  60  12.626   6.334   3.585
  437    HA   ASN  60           HA       ASN  60  15.508   6.373   3.874
  438   1HB   ASN  60          2HB       ASN  60  14.161   7.375   5.642
  439   2HB   ASN  60          1HB       ASN  60  13.315   5.851   5.898
  440   1HD2  ASN  60          1HD2      ASN  60  14.014   4.680   7.542
  441   2HD2  ASN  60          2HD2      ASN  60  15.614   4.719   8.211
  442    H    ASP  61           H        ASP  61  12.885   4.033   4.106
  443    HA   ASP  61           HA       ASP  61  14.369   1.795   4.938
  444   1HB   ASP  61          2HB       ASP  61  11.793   2.227   3.540
  445   2HB   ASP  61          1HB       ASP  61  12.496   0.623   3.434
  446    H    TYR  62           H        TYR  62  13.712   3.120   1.749
  447    HA   TYR  62           HA       TYR  62  14.771   1.078   0.176
  448   1HB   TYR  62          2HB       TYR  62  13.494   3.098  -0.628
  449   2HB   TYR  62          1HB       TYR  62  14.973   4.034  -0.425
  450    HD1  TYR  62           1HD      TYR  62  13.631   1.029  -2.167
  451    HD2  TYR  62           2HD      TYR  62  16.505   4.165  -2.176
  452    HE1  TYR  62           1HE      TYR  62  14.349   0.360  -4.418
  453    HE2  TYR  62           2HE      TYR  62  17.233   3.499  -4.429
  454    HH   TYR  62           HH       TYR  62  17.194   1.363  -5.813
  455    H    ILE  63           H        ILE  63  16.349   3.838   1.725
  456    HA   ILE  63           HA       ILE  63  18.931   3.261   0.656
  457    HB   ILE  63           HB       ILE  63  18.301   4.901   3.111
  458   1HG1  ILE  63          2HG1      ILE  63  17.004   5.800   1.293
  459   1HG2  ILE  63          1HG2      ILE  63  20.653   4.296   2.872
  460   2HG2  ILE  63          2HG2      ILE  63  20.661   4.953   1.236
  461   3HG2  ILE  63          3HG2      ILE  63  20.413   6.025   2.615
  462   1HD1  ILE  63          1HD1      ILE  63  18.632   6.712  -0.668
  463   2HD1  ILE  63          2HD1      ILE  63  19.323   5.121  -0.349
  464   3HD1  ILE  63          3HD1      ILE  63  17.620   5.272  -0.782
  465    H    ARG  64           H        ARG  64  17.122   2.241   3.426
  466    HA   ARG  64           HA       ARG  64  19.293   1.181   4.937
  467   1HB   ARG  64          2HB       ARG  64  16.323   1.008   5.027
  468   2HB   ARG  64          1HB       ARG  64  17.226  -0.263   5.839
  469   1HG   ARG  64          2HG       ARG  64  18.436   1.493   7.115
  470   2HG   ARG  64          1HG       ARG  64  17.370   2.694   6.381
  471   1HD   ARG  64          2HD       ARG  64  16.323   2.261   8.399
  472   2HD   ARG  64          1HD       ARG  64  15.461   1.200   7.286
  473    HE   ARG  64           HE       ARG  64  16.907  -0.623   8.139
  474   1HH1  ARG  64          2HH1      ARG  64  16.411   2.250  10.090
  475   2HH1  ARG  64          1HH1      ARG  64  16.807   1.453  11.584
  476   1HH2  ARG  64          2HH2      ARG  64  17.377  -1.681  10.099
  477   2HH2  ARG  64          1HH2      ARG  64  17.334  -0.786  11.597
  478    H    LEU  65           H        LEU  65  17.022  -0.159   2.589
  479    HA   LEU  65           HA       LEU  65  18.162  -2.808   2.859
  480   1HB   LEU  65          2HB       LEU  65  15.767  -1.617   1.623
  481   2HB   LEU  65          1HB       LEU  65  16.423  -3.007   0.782
  482    HG   LEU  65           HG       LEU  65  16.379  -4.077   3.198
  483   1HD1  LEU  65          1HD1      LEU  65  15.117  -3.102   4.763
  484   2HD1  LEU  65          2HD1      LEU  65  15.328  -1.632   3.813
  485   3HD1  LEU  65          3HD1      LEU  65  13.882  -2.618   3.600
  486   1HD2  LEU  65          1HD2      LEU  65  14.629  -4.049   0.940
  487   2HD2  LEU  65          2HD2      LEU  65  14.978  -5.362   2.066
  488   3HD2  LEU  65          3HD2      LEU  65  13.681  -4.222   2.419
  489    H    PHE  66           H        PHE  66  17.664  -0.572   0.110
  490    HA   PHE  66           HA       PHE  66  19.895  -1.950  -1.243
  491   1HB   PHE  66          2HB       PHE  66  17.751  -0.461  -2.728
  492   2HB   PHE  66          1HB       PHE  66  18.816  -1.737  -3.309
  493    HD1  PHE  66           1HD      PHE  66  18.488  -4.057  -2.054
  494    HD2  PHE  66           2HD      PHE  66  15.561  -0.982  -2.325
  495    HE1  PHE  66           1HE      PHE  66  16.716  -5.715  -1.656
  496    HE2  PHE  66           2HE      PHE  66  13.784  -2.632  -1.919
  497    HZ   PHE  66           HZ       PHE  66  14.360  -5.004  -1.587
  498    H    GLY  67           H        GLY  67  20.137   0.341   0.530
  499   1HA   GLY  67          1HA       GLY  67  20.819   2.477  -1.377
  500   2HA   GLY  67          2HA       GLY  67  20.600   2.685   0.352
  501    H    ASN  68           H        ASN  68  22.206   2.157   1.765
  502    HA   ASN  68           HA       ASN  68  24.300   1.820   2.563
  503   1HB   ASN  68          2HB       ASN  68  24.325  -0.263   1.254
  504   2HB   ASN  68          1HB       ASN  68  24.919   0.625  -0.145
  505   1HD2  ASN  68          1HD2      ASN  68  26.891  -0.203  -0.407
  506   2HD2  ASN  68          2HD2      ASN  68  28.140  -0.189   0.793
  507    H    SER  69           H        SER  69  24.595   2.804  -0.856
  508    HA   SER  69           HA       SER  69  26.678   4.706  -0.168
  509   1HB   SER  69          2HB       SER  69  25.597   4.907  -2.866
  510   2HB   SER  69          1HB       SER  69  27.242   4.548  -2.343
  511    HG   SER  69           HG       SER  69  26.797   2.420  -2.301
  512    H    GLY  70           H        GLY  70  26.485   6.982  -0.631
  513   1HA   GLY  70          1HA       GLY  70  23.815   7.981  -0.006
  514   2HA   GLY  70          2HA       GLY  70  25.313   8.900   0.051
  515    H    ALA  71           H        ALA  71  25.919  10.085  -1.675
  516    HA   ALA  71           HA       ALA  71  24.530   9.697  -4.228
  517   1HB   ALA  71          1HB       ALA  71  23.376  11.454  -2.773
  518   2HB   ALA  71          2HB       ALA  71  24.799  12.455  -3.074
  519   3HB   ALA  71          3HB       ALA  71  23.801  11.910  -4.423
  520    H    GLY  72           H        GLY  72  27.270  10.604  -2.399
  521   1HA   GLY  72          1HA       GLY  72  29.471  10.788  -3.080
  522   2HA   GLY  72          2HA       GLY  72  28.940  10.560  -4.740
  523    H    GLY  73           H        GLY  73  30.558  12.230  -5.178
  524   1HA   GLY  73          1HA       GLY  73  30.048  14.919  -4.282
  525   2HA   GLY  73          2HA       GLY  73  31.209  14.427  -5.506
  526    H    SER  74           H        SER  74  28.789  12.937  -6.756
  527    HA   SER  74           HA       SER  74  28.135  15.042  -8.590
  528   1HB   SER  74          2HB       SER  74  26.500  12.894  -9.207
  529   2HB   SER  74          1HB       SER  74  28.114  13.179  -9.865
  530    HG   SER  74           HG       SER  74  27.287  11.178  -8.311
  531    H    GLY  75           H        GLY  75  26.302  13.021  -6.301
  532   1HA   GLY  75          1HA       GLY  75  24.442  13.644  -5.029
  533   2HA   GLY  75          2HA       GLY  75  24.402  15.182  -5.884
  534    H    GLY  76           H        GLY  76  24.029  14.765  -8.379
  535   1HA   GLY  76          1HA       GLY  76  22.798  13.728 -10.063
  536   2HA   GLY  76          2HA       GLY  76  22.176  12.588  -8.880
  537    H    HIS  77           H        HIS  77  20.621  13.511  -7.283
  538    HA   HIS  77           HA       HIS  77  19.013  15.687  -8.432
  539   1HB   HIS  77          2HB       HIS  77  18.154  12.914  -7.703
  540   2HB   HIS  77          1HB       HIS  77  17.032  14.240  -7.427
  541    HD1  HIS  77           1HD      HIS  77  18.892  15.072 -10.382
  542    HD2  HIS  77           2HD      HIS  77  15.688  12.561  -9.518
  543    HE1  HIS  77           1HE      HIS  77  17.781  14.605 -12.588
  544    HE2  HIS  77           2HE      HIS  77  15.956  12.945 -12.063
  545    H    MET  78           H        MET  78  17.291  16.342  -6.693
  546    HA   MET  78           HA       MET  78  17.934  15.864  -3.960
  547   1HB   MET  78          2HB       MET  78  19.588  17.724  -5.109
  548   2HB   MET  78          1HB       MET  78  18.305  18.737  -4.463
  549   1HG   MET  78          2HG       MET  78  18.933  16.893  -2.445
  550   2HG   MET  78          1HG       MET  78  20.468  17.456  -3.100
  551   1HE   MET  78          1HE       MET  78  19.324  17.922  -0.054
  552   2HE   MET  78          2HE       MET  78  18.417  19.418   0.167
  553   3HE   MET  78          3HE       MET  78  17.685  18.062  -0.692
  554    H    GLY  79           H        GLY  79  15.614  15.493  -5.200
  555   1HA   GLY  79          1HA       GLY  79  13.970  17.859  -4.545
  556   2HA   GLY  79          2HA       GLY  79  13.527  16.627  -5.720
  557    H    SER  80           H        SER  80  13.922  14.311  -4.425
  558    HA   SER  80           HA       SER  80  11.708  14.227  -2.623
  559   1HB   SER  80          2HB       SER  80  13.202  11.793  -2.565
  560   2HB   SER  80          1HB       SER  80  11.664  12.116  -3.366
  561    HG   SER  80           HG       SER  80  13.054  11.516  -4.958
  562    H    GLY  81           H        GLY  81  11.842  13.175  -0.478
  563   1HA   GLY  81          1HA       GLY  81  14.415  13.628   0.871
  564   2HA   GLY  81          2HA       GLY  81  12.961  14.374   1.522
  565    H    GLY  82           H        GLY  82  11.087  12.720   1.754
  566   1HA   GLY  82          1HA       GLY  82  10.259  10.897   2.872
  567   2HA   GLY  82          2HA       GLY  82  11.561   9.996   2.109
  568    H    ASP  83           H        ASP  83  11.662  12.610   4.490
  569    HA   ASP  83           HA       ASP  83  13.315  10.885   6.200
  570   1HB   ASP  83          2HB       ASP  83  13.982  13.284   5.307
  571   2HB   ASP  83          1HB       ASP  83  13.006  13.822   6.668
  572    H    VAL  84           H        VAL  84  13.040  11.251   8.586
  573    HA   VAL  84           HA       VAL  84  10.182  11.205   9.221
  574    HB   VAL  84           HB       VAL  84  11.378  10.688  11.600
  575   1HG1  VAL  84          1HG1      VAL  84   9.802   9.159  11.071
  576   2HG1  VAL  84          2HG1      VAL  84  10.320   9.039   9.389
  577   3HG1  VAL  84          3HG1      VAL  84  11.214   8.190  10.651
  578   1HG2  VAL  84          1HG2      VAL  84  13.154   9.266   9.641
  579   2HG2  VAL  84          2HG2      VAL  84  13.610  10.815  10.350
  580   3HG2  VAL  84          3HG2      VAL  84  13.331   9.417  11.390
  581    H    MET  85           H        MET  85  12.844  13.287   9.334
  582    HA   MET  85           HA       MET  85  11.581  14.954  11.406
  583   1HB   MET  85          2HB       MET  85  14.355  15.165  10.217
  584   2HB   MET  85          1HB       MET  85  13.720  16.139  11.535
  585   1HG   MET  85          2HG       MET  85  13.697  14.315  13.014
  586   2HG   MET  85          1HG       MET  85  13.916  13.152  11.707
  587   1HE   MET  85          1HE       MET  85  17.290  12.223  12.359
  588   2HE   MET  85          2HE       MET  85  16.287  12.376  13.802
  589   3HE   MET  85          3HE       MET  85  15.565  11.857  12.278
  590    H    VAL  86           H        VAL  86  13.610  16.885   9.734
  591    HA   VAL  86           HA       VAL  86  13.343  18.636   8.326
  592    HB   VAL  86           HB       VAL  86  11.589  16.785   6.706
  593   1HG1  VAL  86          1HG1      VAL  86  12.634  18.027   4.806
  594   2HG1  VAL  86          2HG1      VAL  86  11.600  19.020   5.833
  595   3HG1  VAL  86          3HG1      VAL  86  13.354  19.124   5.982
  596   1HG2  VAL  86          1HG2      VAL  86  13.353  15.534   6.102
  597   2HG2  VAL  86          2HG2      VAL  86  14.447  16.917   6.061
  598   3HG2  VAL  86          3HG2      VAL  86  14.080  16.129   7.595
  599    H    VAL  87           H        VAL  87  12.033  19.551  10.154
  600    HA   VAL  87           HA       VAL  87   9.280  20.121   9.240
  601    HB   VAL  87           HB       VAL  87  10.174  20.931  11.971
  602   1HG1  VAL  87          1HG1      VAL  87   8.019  21.640  11.524
  603   2HG1  VAL  87          2HG1      VAL  87   7.617  20.184  10.616
  604   3HG1  VAL  87          3HG1      VAL  87   7.738  20.120  12.374
  605   1HG2  VAL  87          1HG2      VAL  87   9.704  18.107  11.100
  606   2HG2  VAL  87          2HG2      VAL  87  10.922  18.753  12.201
  607   3HG2  VAL  87          3HG2      VAL  87   9.244  18.623  12.724
  608    H    GLY  88           H        GLY  88  12.070  21.588  10.869
  609   1HA   GLY  88          1HA       GLY  88  11.551  24.059   9.327
  610   2HA   GLY  88          2HA       GLY  88  12.172  24.091  10.974
  611    H    GLU  89           H        GLU  89  13.554  21.466   9.847
  612    HA   GLU  89           HA       GLU  89  15.985  22.877   9.008
  613   1HB   GLU  89          2HB       GLU  89  16.117  19.971   9.520
  614   2HB   GLU  89          1HB       GLU  89  17.193  21.256  10.049
  615   1HG   GLU  89          2HG       GLU  89  16.343  20.613  12.053
  616   2HG   GLU  89          1HG       GLU  89  15.165  21.851  11.619
  617    HA   PRO  90           HA       PRO  90  15.635  21.566   4.835
  618   1HB   PRO  90          2HB       PRO  90  18.524  20.919   4.887
  619   2HB   PRO  90          1HB       PRO  90  17.646  22.064   3.867
  620   1HG   PRO  90          2HG       PRO  90  19.221  22.914   5.847
  621   2HG   PRO  90          1HG       PRO  90  17.689  23.731   5.479
  622   1HD   PRO  90          2HD       PRO  90  18.333  21.801   7.677
  623   2HD   PRO  90          1HD       PRO  90  17.344  23.276   7.727
  624    H    THR  91           H        THR  91  15.484  19.744   3.546
  625    HA   THR  91           HA       THR  91  15.049  17.304   4.754
  626    HB   THR  91           HB       THR  91  15.874  17.049   1.960
  627    HG1  THR  91           1HG      THR  91  15.261  19.205   1.804
  628   1HG2  THR  91          1HG2      THR  91  14.327  15.577   3.405
  629   2HG2  THR  91          2HG2      THR  91  13.837  15.922   1.747
  630   3HG2  THR  91          3HG2      THR  91  13.103  16.805   3.085
  631    H    LEU  92           H        LEU  92  16.413  15.992   5.727
  632    HA   LEU  92           HA       LEU  92  19.226  16.105   5.284
  633   1HB   LEU  92          2HB       LEU  92  17.397  14.911   7.204
  634   2HB   LEU  92          1HB       LEU  92  18.732  13.844   6.814
  635    HG   LEU  92           HG       LEU  92  20.238  15.877   7.326
  636   1HD1  LEU  92          1HD1      LEU  92  17.953  16.746   9.046
  637   2HD1  LEU  92          2HD1      LEU  92  19.403  17.634   8.575
  638   3HD1  LEU  92          3HD1      LEU  92  18.113  17.363   7.401
  639   1HD2  LEU  92          1HD2      LEU  92  18.832  14.877   9.759
  640   2HD2  LEU  92          2HD2      LEU  92  19.693  13.737   8.724
  641   3HD2  LEU  92          3HD2      LEU  92  20.558  15.085   9.460
  642    H    MET  93           H        MET  93  17.375  13.092   5.481
  643    HA   MET  93           HA       MET  93  17.529  11.134   4.343
  644   1HB   MET  93          2HB       MET  93  16.547  12.765   2.594
  645   2HB   MET  93          1HB       MET  93  18.136  12.700   1.849
  646   1HG   MET  93          2HG       MET  93  16.002  10.973   1.424
  647   2HG   MET  93          1HG       MET  93  17.657  10.782   0.855
  648   1HE   MET  93          1HE       MET  93  14.876   8.951   3.019
  649   2HE   MET  93          2HE       MET  93  15.757   8.830   4.543
  650   3HE   MET  93          3HE       MET  93  15.378  10.414   3.867
  651    H    GLY  94           H        GLY  94  19.650  12.308   1.874
  652   1HA   GLY  94          1HA       GLY  94  22.112  12.331   2.199
  653   2HA   GLY  94          2HA       GLY  94  21.889  10.887   3.178
  654    H    GLY  95           H        GLY  95  20.653   9.093   1.977
  655   1HA   GLY  95          1HA       GLY  95  22.140   8.423  -0.370
  656   2HA   GLY  95          2HA       GLY  95  20.815   7.499   0.325
  657    H    GLU  96           H        GLU  96  21.783   9.337  -2.269
  658    HA   GLU  96           HA       GLU  96  19.049  10.119  -2.979
  659   1HB   GLU  96          2HB       GLU  96  21.498  11.433  -3.271
  660   2HB   GLU  96          1HB       GLU  96  21.085  10.892  -4.892
  661   1HG   GLU  96          2HG       GLU  96  19.433  12.625  -3.074
  662   2HG   GLU  96          1HG       GLU  96  20.230  13.098  -4.573
  663    H    PHE  97           H        PHE  97  17.933   8.929  -4.381
  664    HA   PHE  97           HA       PHE  97  19.375   7.366  -6.381
  665   1HB   PHE  97          2HB       PHE  97  17.700   6.274  -4.183
  666   2HB   PHE  97          1HB       PHE  97  17.497   5.546  -5.775
  667    HD1  PHE  97           1HD      PHE  97  20.197   5.655  -6.857
  668    HD2  PHE  97           2HD      PHE  97  18.872   4.719  -2.925
  669    HE1  PHE  97           1HE      PHE  97  22.225   4.308  -6.499
  670    HE2  PHE  97           2HE      PHE  97  20.894   3.363  -2.562
  671    HZ   PHE  97           HZ       PHE  97  22.576   3.160  -4.349
  672    H    GLY  98           H        GLY  98  17.848   9.794  -6.522
  673   1HA   GLY  98          1HA       GLY  98  16.520  10.650  -8.213
  674   2HA   GLY  98          2HA       GLY  98  16.146   9.007  -8.714
  675    H    ASP  99           H        ASP  99  13.985   9.097  -8.882
  676    HA   ASP  99           HA       ASP  99  12.399   9.006  -6.529
  677   1HB   ASP  99          2HB       ASP  99  11.324  11.038  -6.470
  678   2HB   ASP  99          1HB       ASP  99  12.902  11.561  -7.044
  679    H    GLU 100           H        GLU 100  12.979   8.254  -9.630
  680    HA   GLU 100           HA       GLU 100  10.456   8.284 -10.870
  681   1HB   GLU 100          2HB       GLU 100  11.445   6.559 -12.394
  682   2HB   GLU 100          1HB       GLU 100  12.419   8.011 -12.211
  683   1HG   GLU 100          2HG       GLU 100  13.037   5.799 -10.364
  684   2HG   GLU 100          1HG       GLU 100  13.407   5.525 -12.067
  685    H    ASP 101           H        ASP 101  11.780   6.177  -8.481
  686    HA   ASP 101           HA       ASP 101   9.572   4.285  -8.921
  687   1HB   ASP 101          2HB       ASP 101  12.194   3.696  -8.661
  688   2HB   ASP 101          1HB       ASP 101  11.695   3.612  -6.977
  689    H    GLU 102           H        GLU 102   9.951   6.970  -7.377
  690    HA   GLU 102           HA       GLU 102   8.922   6.081  -4.778
  691   1HB   GLU 102          2HB       GLU 102  10.693   8.148  -5.565
  692   2HB   GLU 102          1HB       GLU 102   9.240   8.923  -4.950
  693   1HG   GLU 102          2HG       GLU 102   9.428   7.801  -2.866
  694   2HG   GLU 102          1HG       GLU 102  10.736   6.785  -3.475
  695    H    ARG 103           H        ARG 103   7.494   8.176  -3.956
  696    HA   ARG 103           HA       ARG 103   5.400   9.066  -3.928
  697   1HB   ARG 103          2HB       ARG 103   6.649   9.816  -6.507
  698   2HB   ARG 103          1HB       ARG 103   4.935  10.159  -6.331
  699   1HG   ARG 103          2HG       ARG 103   6.011  12.113  -5.652
  700   2HG   ARG 103          1HG       ARG 103   5.555  11.311  -4.148
  701   1HD   ARG 103          2HD       ARG 103   7.710  11.806  -3.627
  702   2HD   ARG 103          1HD       ARG 103   7.983  10.263  -4.436
  703    HE   ARG 103           HE       ARG 103   8.603  11.522  -6.428
  704   1HH1  ARG 103          2HH1      ARG 103   8.543  13.233  -3.364
  705   2HH1  ARG 103          1HH1      ARG 103   9.550  14.538  -3.929
  706   1HH2  ARG 103          2HH2      ARG 103   9.984  13.185  -7.150
  707   2HH2  ARG 103          1HH2      ARG 103  10.387  14.505  -6.080
  708    H    LEU 104           H        LEU 104   5.140   6.341  -4.284
  709    HA   LEU 104           HA       LEU 104   3.118   6.026  -6.384
  710   1HB   LEU 104          2HB       LEU 104   4.534   4.064  -4.590
  711   2HB   LEU 104          1HB       LEU 104   3.164   3.609  -5.585
  712    HG   LEU 104           HG       LEU 104   5.459   4.938  -6.930
  713   1HD1  LEU 104          1HD1      LEU 104   6.354   2.505  -7.196
  714   2HD1  LEU 104          2HD1      LEU 104   6.796   3.462  -5.783
  715   3HD1  LEU 104          3HD1      LEU 104   5.531   2.240  -5.657
  716   1HD2  LEU 104          1HD2      LEU 104   4.631   2.710  -8.340
  717   2HD2  LEU 104          2HD2      LEU 104   3.148   3.316  -7.604
  718   3HD2  LEU 104          3HD2      LEU 104   4.123   4.375  -8.623
  719    H    ILE 105           H        ILE 105   3.122   7.331  -3.510
  720    HA   ILE 105           HA       ILE 105   0.964   5.876  -2.244
  721    HB   ILE 105           HB       ILE 105   2.644   8.237  -1.469
  722   1HG1  ILE 105          2HG1      ILE 105   1.951   5.608  -0.145
  723   1HG2  ILE 105          1HG2      ILE 105   1.315   8.749   0.424
  724   2HG2  ILE 105          2HG2      ILE 105   0.231   8.766  -0.968
  725   3HG2  ILE 105          3HG2      ILE 105   0.241   7.383   0.127
  726   1HD1  ILE 105          1HD1      ILE 105   3.282   7.985   0.910
  727   2HD1  ILE 105          2HD1      ILE 105   2.555   6.615   1.750
  728   3HD1  ILE 105          3HD1      ILE 105   4.189   6.485   1.099
  729    H    THR 106           H        THR 106  -1.103   6.278  -2.460
  730    HA   THR 106           HA       THR 106  -1.963   8.847  -3.610
  731    HB   THR 106           HB       THR 106  -3.983   6.744  -3.153
  732    HG1  THR 106           1HG      THR 106  -1.914   5.780  -4.123
  733   1HG2  THR 106          1HG2      THR 106  -5.024   7.667  -5.001
  734   2HG2  THR 106          2HG2      THR 106  -3.505   8.231  -5.704
  735   3HG2  THR 106          3HG2      THR 106  -4.193   9.060  -4.306
  736    H    ARG 107           H        ARG 107  -2.823  10.257  -2.271
  737    HA   ARG 107           HA       ARG 107  -2.631   9.887   0.473
  738   1HB   ARG 107          2HB       ARG 107  -3.945  12.105   0.565
  739   2HB   ARG 107          1HB       ARG 107  -2.388  12.089  -0.249
  740   1HG   ARG 107          2HG       ARG 107  -3.609  13.244  -1.777
  741   2HG   ARG 107          1HG       ARG 107  -3.887  11.603  -2.364
  742   1HD   ARG 107          2HD       ARG 107  -5.926  11.700  -0.718
  743   2HD   ARG 107          1HD       ARG 107  -5.728  13.441  -0.903
  744    HE   ARG 107           HE       ARG 107  -6.135  13.174  -3.265
  745   1HH1  ARG 107          2HH1      ARG 107  -6.857  10.384  -1.272
  746   2HH1  ARG 107          1HH1      ARG 107  -7.997   9.709  -2.400
  747   1HH2  ARG 107          2HH2      ARG 107  -7.609  12.262  -4.780
  748   2HH2  ARG 107          1HH2      ARG 107  -8.376  10.740  -4.413
  749    H    LEU 108           H        LEU 108  -4.210  10.293   2.089
  750    HA   LEU 108           HA       LEU 108  -6.215   8.376   2.143
  751   1HB   LEU 108          2HB       LEU 108  -6.301  10.722   3.980
  752   2HB   LEU 108          1HB       LEU 108  -6.626   9.039   4.316
  753    HG   LEU 108           HG       LEU 108  -4.677   9.439   5.491
  754   1HD1  LEU 108          1HD1      LEU 108  -2.898   8.649   3.435
  755   2HD1  LEU 108          2HD1      LEU 108  -3.598   7.680   4.730
  756   3HD1  LEU 108          3HD1      LEU 108  -4.438   7.829   3.187
  757   1HD2  LEU 108          1HD2      LEU 108  -3.068  10.690   3.369
  758   2HD2  LEU 108          2HD2      LEU 108  -4.386  11.665   4.016
  759   3HD2  LEU 108          3HD2      LEU 108  -3.144  11.033   5.098
  760    H    GLU 109           H        GLU 109  -8.445   9.290   3.243
  761    HA   GLU 109           HA       GLU 109  -9.771  10.274   0.937
  762   1HB   GLU 109          2HB       GLU 109 -10.727   9.345   3.611
  763   2HB   GLU 109          1HB       GLU 109 -11.831   9.920   2.368
  764   1HG   GLU 109          2HG       GLU 109  -9.887   7.735   1.757
  765   2HG   GLU 109          1HG       GLU 109 -11.377   7.379   2.627
  766    H    ASN 110           H        ASN 110  -9.004  12.390   0.822
  767    HA   ASN 110           HA       ASN 110 -10.658  14.313   2.156
  768   1HB   ASN 110          2HB       ASN 110  -8.712  15.653   3.032
  769   2HB   ASN 110          1HB       ASN 110  -9.042  14.161   3.901
  770   1HD2  ASN 110          1HD2      ASN 110  -6.741  14.952   4.493
  771   2HD2  ASN 110          2HD2      ASN 110  -5.460  14.198   3.618
  772    H    THR 111           H        THR 111  -9.740  13.351  -0.571
  773    HA   THR 111           HA       THR 111  -9.638  14.255  -2.641
  774    HB   THR 111           HB       THR 111  -9.872  16.959  -1.313
  775    HG1  THR 111           1HG      THR 111 -11.952  16.529  -1.075
  776   1HG2  THR 111          1HG2      THR 111  -9.219  16.601  -3.849
  777   2HG2  THR 111          2HG2      THR 111 -10.386  17.838  -3.381
  778   3HG2  THR 111          3HG2      THR 111 -10.946  16.292  -4.018
  779    H    GLN 112           H        GLN 112  -7.665  16.191  -0.382
  780    HA   GLN 112           HA       GLN 112  -5.381  15.757  -2.165
  781   1HB   GLN 112          2HB       GLN 112  -6.660  18.306  -1.652
  782   2HB   GLN 112          1HB       GLN 112  -4.991  18.317  -1.102
  783   1HG   GLN 112          2HG       GLN 112  -4.495  18.855  -3.198
  784   2HG   GLN 112          1HG       GLN 112  -4.767  17.150  -3.554
  785   1HE2  GLN 112          1HE2      GLN 112  -6.580  20.177  -3.197
  786   2HE2  GLN 112          2HE2      GLN 112  -7.644  19.892  -4.540
  787    H    PHE 113           H        PHE 113  -3.296  16.126  -1.026
  788    HA   PHE 113           HA       PHE 113  -3.293  14.867   1.493
  789   1HB   PHE 113          2HB       PHE 113  -1.373  15.485  -0.406
  790   2HB   PHE 113          1HB       PHE 113  -0.895  16.448   0.987
  791    HD1  PHE 113           1HD      PHE 113  -2.060  14.450   3.041
  792    HD2  PHE 113           2HD      PHE 113   0.517  14.014  -0.313
  793    HE1  PHE 113           1HE      PHE 113  -1.058  12.456   4.077
  794    HE2  PHE 113           2HE      PHE 113   1.532  12.028   0.719
  795    HZ   PHE 113           HZ       PHE 113   0.741  11.244   2.916
  796    H    ASP 114           H        ASP 114  -3.530  18.176   0.561
  797    HA   ASP 114           HA       ASP 114  -3.007  19.303   3.157
  798   1HB   ASP 114          2HB       ASP 114  -2.821  20.730   1.186
  799   2HB   ASP 114          1HB       ASP 114  -4.494  20.396   0.752
  800    H    ALA 115           H        ALA 115  -4.197  18.242   4.657
  801    HA   ALA 115           HA       ALA 115  -6.836  17.367   4.222
  802   1HB   ALA 115          1HB       ALA 115  -6.333  16.099   5.959
  803   2HB   ALA 115          2HB       ALA 115  -4.830  16.999   6.165
  804   3HB   ALA 115          3HB       ALA 115  -6.288  17.515   7.009
  805    H    ALA 116           H        ALA 116  -8.236  18.987   3.723
  806    HA   ALA 116           HA       ALA 116  -8.681  21.076   5.747
  807   1HB   ALA 116          1HB       ALA 116 -10.320  21.865   3.834
  808   2HB   ALA 116          2HB       ALA 116  -8.596  22.231   3.773
  809   3HB   ALA 116          3HB       ALA 116  -9.247  20.889   2.832
  810    H    ASN 117           H        ASN 117  -9.501  19.205   7.044
  811    HA   ASN 117           HA       ASN 117 -11.958  17.951   6.276
  812   1HB   ASN 117          2HB       ASN 117 -10.297  16.928   7.844
  813   2HB   ASN 117          1HB       ASN 117 -10.718  18.154   9.034
  814   1HD2  ASN 117          1HD2      ASN 117 -11.464  16.718  10.533
  815   2HD2  ASN 117          2HD2      ASN 117 -12.941  15.826  10.329
  816    H    GLY 118           H        GLY 118 -11.020  20.740   8.152
  817   1HA   GLY 118          1HA       GLY 118 -13.180  22.302   7.762
  818   2HA   GLY 118          2HA       GLY 118 -13.693  21.289   9.107
  819    H    ILE 119           H        ILE 119 -13.794  23.434  10.190
  820    HA   ILE 119           HA       ILE 119 -11.168  24.435  11.003
  821    HB   ILE 119           HB       ILE 119 -12.985  26.060  10.391
  822   1HG1  ILE 119          2HG1      ILE 119 -12.641  27.446  12.563
  823   1HG2  ILE 119          1HG2      ILE 119 -14.405  24.587  12.444
  824   2HG2  ILE 119          2HG2      ILE 119 -14.418  26.326  12.735
  825   3HG2  ILE 119          3HG2      ILE 119 -15.019  25.684  11.207
  826   1HD1  ILE 119          1HD1      ILE 119 -11.237  27.628  10.498
  827   2HD1  ILE 119          2HD1      ILE 119 -10.416  28.016  12.008
  828   3HD1  ILE 119          3HD1      ILE 119 -10.138  26.459  11.230
  829    H    ASP 120           H        ASP 120 -13.803  22.496  12.043
  830    HA   ASP 120           HA       ASP 120 -12.462  22.087  14.636
  831   1HB   ASP 120          2HB       ASP 120 -14.549  22.941  15.277
  832   2HB   ASP 120          1HB       ASP 120 -15.386  22.153  13.944
  833    H    ASP 121           H        ASP 121 -11.527  20.160  14.762
  834    HA   ASP 121           HA       ASP 121 -12.466  18.043  12.943
  835   1HB   ASP 121          2HB       ASP 121 -10.038  18.980  12.837
  836   2HB   ASP 121          1HB       ASP 121  -9.777  18.014  14.286
  837    H    GLU 122           H        GLU 122 -10.296  17.374  15.538
  838    HA   GLU 122           HA       GLU 122 -12.416  16.407  17.281
  839   1HB   GLU 122          2HB       GLU 122 -10.256  14.651  16.106
  840   2HB   GLU 122          1HB       GLU 122 -11.093  14.243  17.597
  841   1HG   GLU 122          2HG       GLU 122 -12.448  14.693  14.949
  842   2HG   GLU 122          1HG       GLU 122 -11.998  13.114  15.589
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -11.788   6.230 -15.053
    2   2H    GLY   1          2H        GLY   1 -12.510   5.705 -13.613
    3   3H    GLY   1          3H        GLY   1 -12.859   4.916 -15.070
    4   1HA   GLY   1          2HA       GLY   1 -11.209   3.510 -14.733
    5   2HA   GLY   1          1HA       GLY   1 -10.091   4.867 -14.761
    6    H    SER   2           H        SER   2  -9.656   2.609 -13.202
    7    HA   SER   2           HA       SER   2  -9.208   1.879 -11.099
    8   1HB   SER   2          2HB       SER   2  -9.127   4.705 -10.113
    9   2HB   SER   2          1HB       SER   2  -8.022   3.372  -9.782
   10    HG   SER   2           HG       SER   2  -7.952   3.882 -12.399
   11    H    LEU   3           H        LEU   3 -11.906   1.838 -11.617
   12    HA   LEU   3           HA       LEU   3 -13.278   3.041  -9.348
   13   1HB   LEU   3          2HB       LEU   3 -14.024   2.422 -11.958
   14   2HB   LEU   3          1HB       LEU   3 -14.873   1.244 -10.977
   15    HG   LEU   3           HG       LEU   3 -15.961   3.573 -11.571
   16   1HD1  LEU   3          1HD1      LEU   3 -16.784   3.341  -8.949
   17   2HD1  LEU   3          2HD1      LEU   3 -17.461   2.492 -10.339
   18   3HD1  LEU   3          3HD1      LEU   3 -16.215   1.721  -9.356
   19   1HD2  LEU   3          1HD2      LEU   3 -14.256   4.188  -9.167
   20   2HD2  LEU   3          2HD2      LEU   3 -14.287   5.031 -10.714
   21   3HD2  LEU   3          3HD2      LEU   3 -15.671   5.135  -9.626
   22    H    SER   4           H        SER   4 -11.546   1.389  -8.304
   23    HA   SER   4           HA       SER   4 -12.647  -1.265  -7.930
   24   1HB   SER   4          2HB       SER   4 -10.569  -0.852  -6.100
   25   2HB   SER   4          1HB       SER   4 -10.442  -1.639  -7.675
   26    HG   SER   4           HG       SER   4  -9.513   0.085  -8.487
   27    H    TRP   5           H        TRP   5 -12.560  -2.003  -5.466
   28    HA   TRP   5           HA       TRP   5 -14.282  -0.104  -4.031
   29   1HB   TRP   5          2HB       TRP   5 -14.698  -2.768  -4.547
   30   2HB   TRP   5          1HB       TRP   5 -14.039  -2.810  -2.913
   31    HD1  TRP   5           HD       TRP   5 -16.889  -1.052  -4.857
   32    HE1  TRP   5           1HE      TRP   5 -18.839  -0.639  -3.221
   33    HE3  TRP   5           3HE      TRP   5 -14.700  -2.750  -0.555
   34    HZ2  TRP   5           2HZ      TRP   5 -19.364  -0.997  -0.467
   35    HZ3  TRP   5           3HZ      TRP   5 -15.993  -2.676   1.532
   36    HH2  TRP   5           HH       TRP   5 -18.278  -1.815   1.575
   37    H    LYS   6           H        LYS   6 -13.921   0.349  -1.846
   38    HA   LYS   6           HA       LYS   6 -11.204   0.692  -1.182
   39   1HB   LYS   6          2HB       LYS   6 -13.762   1.512  -0.156
   40   2HB   LYS   6          1HB       LYS   6 -12.733   0.992   1.172
   41   1HG   LYS   6          2HG       LYS   6 -11.976   3.089   1.120
   42   2HG   LYS   6          1HG       LYS   6 -11.019   2.539  -0.258
   43   1HD   LYS   6          2HD       LYS   6 -12.119   3.898  -1.631
   44   2HD   LYS   6          1HD       LYS   6 -13.674   3.248  -1.106
   45   1HE   LYS   6          2HE       LYS   6 -12.337   5.080   0.778
   46   2HE   LYS   6          1HE       LYS   6 -12.897   5.807  -0.728
   47   1HZ   LYS   6          1HZ       LYS   6 -14.928   5.851   0.115
   48   2HZ   LYS   6          2HZ       LYS   6 -14.403   5.085   1.535
   49   3HZ   LYS   6          3HZ       LYS   6 -14.938   4.159   0.218
   50    H    ARG   7           H        ARG   7 -10.193  -1.306  -1.114
   51    HA   ARG   7           HA       ARG   7 -10.696  -2.773   1.363
   52   1HB   ARG   7          2HB       ARG   7 -10.656  -4.855   0.389
   53   2HB   ARG   7          1HB       ARG   7 -11.462  -3.933  -0.869
   54   1HG   ARG   7          2HG       ARG   7  -9.936  -4.601  -2.311
   55   2HG   ARG   7          1HG       ARG   7  -8.695  -3.766  -1.379
   56   1HD   ARG   7          2HD       ARG   7  -9.038  -6.551  -1.773
   57   2HD   ARG   7          1HD       ARG   7  -7.789  -5.722  -0.849
   58    HE   ARG   7           HE       ARG   7  -9.020  -6.091   1.118
   59   1HH1  ARG   7          2HH1      ARG   7 -10.638  -7.392  -1.705
   60   2HH1  ARG   7          1HH1      ARG   7 -11.629  -8.499  -0.795
   61   1HH2  ARG   7          2HH2      ARG   7 -10.285  -7.568   2.325
   62   2HH2  ARG   7          1HH2      ARG   7 -11.441  -8.588   1.506
   63    H    CYS   8           H        CYS   8  -8.911  -3.308   2.484
   64    HA   CYS   8           HA       CYS   8  -6.522  -1.884   1.852
   65   1HB   CYS   8          2HB       CYS   8  -7.539  -2.141   4.134
   66   2HB   CYS   8          1HB       CYS   8  -7.030  -3.824   4.109
   67    H    ALA   9           H        ALA   9  -4.485  -2.687   1.570
   68    HA   ALA   9           HA       ALA   9  -4.283  -5.536   0.866
   69   1HB   ALA   9          1HB       ALA   9  -3.433  -4.861  -1.078
   70   2HB   ALA   9          2HB       ALA   9  -3.418  -3.178  -0.550
   71   3HB   ALA   9          3HB       ALA   9  -2.048  -4.228  -0.189
   72    H    GLY  10           H        GLY  10  -3.710  -3.392   3.237
   73   1HA   GLY  10          1HA       GLY  10  -1.043  -4.343   3.981
   74   2HA   GLY  10          2HA       GLY  10  -1.962  -3.078   4.786
   75    H    CYS  11           H        CYS  11  -4.223  -4.077   5.584
   76    HA   CYS  11           HA       CYS  11  -3.455  -6.355   7.255
   77   1HB   CYS  11          2HB       CYS  11  -5.423  -5.843   8.627
   78   2HB   CYS  11          1HB       CYS  11  -4.350  -4.460   8.499
   79    H    GLY  12           H        GLY  12  -5.691  -5.302   4.796
   80   1HA   GLY  12          1HA       GLY  12  -6.222  -6.878   3.093
   81   2HA   GLY  12          2HA       GLY  12  -6.264  -8.138   4.312
   82    H    GLY  13           H        GLY  13  -7.905  -5.644   5.692
   83   1HA   GLY  13          1HA       GLY  13 -10.415  -6.915   5.079
   84   2HA   GLY  13          2HA       GLY  13 -10.136  -5.654   6.271
   85    H    LYS  14           H        LYS  14 -11.935  -4.603   5.564
   86    HA   LYS  14           HA       LYS  14 -11.747  -3.293   2.934
   87   1HB   LYS  14          2HB       LYS  14 -14.011  -4.292   4.484
   88   2HB   LYS  14          1HB       LYS  14 -14.232  -2.633   3.944
   89   1HG   LYS  14          2HG       LYS  14 -15.164  -4.169   2.332
   90   2HG   LYS  14          1HG       LYS  14 -13.778  -3.323   1.641
   91   1HD   LYS  14          2HD       LYS  14 -12.656  -5.230   1.322
   92   2HD   LYS  14          1HD       LYS  14 -13.017  -5.803   2.952
   93   1HE   LYS  14          2HE       LYS  14 -15.011  -5.885   0.699
   94   2HE   LYS  14          1HE       LYS  14 -13.917  -7.219   1.070
   95   1HZ   LYS  14          1HZ       LYS  14 -16.282  -6.308   2.482
   96   2HZ   LYS  14          2HZ       LYS  14 -14.972  -6.743   3.472
   97   3HZ   LYS  14          3HZ       LYS  14 -15.611  -7.864   2.371
   98    H    ILE  15           H        ILE  15 -11.987  -1.037   2.818
   99    HA   ILE  15           HA       ILE  15 -11.213   0.301   5.305
  100    HB   ILE  15           HB       ILE  15 -11.162   1.709   2.676
  101   1HG1  ILE  15          2HG1      ILE  15  -9.363  -0.550   3.514
  102   1HG2  ILE  15          1HG2      ILE  15  -9.908   1.921   5.335
  103   2HG2  ILE  15          2HG2      ILE  15  -8.882   2.342   3.964
  104   3HG2  ILE  15          3HG2      ILE  15 -10.413   3.184   4.212
  105   1HD1  ILE  15          1HD1      ILE  15  -7.893   0.285   1.556
  106   2HD1  ILE  15          2HD1      ILE  15  -8.544   1.867   1.984
  107   3HD1  ILE  15          3HD1      ILE  15  -7.645   0.931   3.178
  108    H    ALA  16           H        ALA  16 -12.922   0.969   6.394
  109    HA   ALA  16           HA       ALA  16 -14.953   2.554   4.950
  110   1HB   ALA  16          1HB       ALA  16 -15.278   0.443   6.935
  111   2HB   ALA  16          2HB       ALA  16 -16.094   1.939   7.388
  112   3HB   ALA  16          3HB       ALA  16 -16.466   1.164   5.848
  113    H    ASP  17           H        ASP  17 -12.276   2.958   6.372
  114    HA   ASP  17           HA       ASP  17 -12.905   4.781   8.509
  115   1HB   ASP  17          2HB       ASP  17 -10.479   3.626   7.313
  116   2HB   ASP  17          1HB       ASP  17 -10.296   5.291   7.856
  117    H    ARG  18           H        ARG  18 -11.769   6.995   8.357
  118    HA   ARG  18           HA       ARG  18 -12.809   8.310   5.969
  119   1HB   ARG  18          2HB       ARG  18 -13.392   9.183   8.214
  120   2HB   ARG  18          1HB       ARG  18 -11.688   9.465   8.535
  121   1HG   ARG  18          2HG       ARG  18 -11.571  11.225   7.023
  122   2HG   ARG  18          1HG       ARG  18 -13.057  10.739   6.203
  123   1HD   ARG  18          2HD       ARG  18 -12.958  11.681   9.061
  124   2HD   ARG  18          1HD       ARG  18 -13.264  12.750   7.693
  125    HE   ARG  18           HE       ARG  18 -15.036  10.625   8.680
  126   1HH1  ARG  18          2HH1      ARG  18 -14.455  13.277   6.470
  127   2HH1  ARG  18          1HH1      ARG  18 -16.132  13.466   6.048
  128   1HH2  ARG  18          2HH2      ARG  18 -17.254  10.876   8.130
  129   2HH2  ARG  18          1HH2      ARG  18 -17.720  12.135   7.019
  130    H    PHE  19           H        PHE  19  -9.869   7.547   7.637
  131    HA   PHE  19           HA       PHE  19  -8.267   9.042   5.689
  132   1HB   PHE  19          2HB       PHE  19  -7.717   7.883   8.411
  133   2HB   PHE  19          1HB       PHE  19  -6.385   8.240   7.316
  134    HD1  PHE  19           1HD      PHE  19  -5.345   9.938   8.576
  135    HD2  PHE  19           2HD      PHE  19  -9.476  10.242   7.610
  136    HE1  PHE  19           1HE      PHE  19  -5.348  12.277   9.334
  137    HE2  PHE  19           2HE      PHE  19  -9.486  12.579   8.367
  138    HZ   PHE  19           HZ       PHE  19  -7.421  13.599   9.233
  139    H    LEU  20           H        LEU  20  -7.720   7.915   3.935
  140    HA   LEU  20           HA       LEU  20  -6.765   5.175   4.268
  141   1HB   LEU  20          2HB       LEU  20  -8.381   4.192   3.081
  142   2HB   LEU  20          1HB       LEU  20  -9.307   5.651   3.365
  143    HG   LEU  20           HG       LEU  20  -7.727   6.140   1.071
  144   1HD1  LEU  20          1HD1      LEU  20  -7.400   4.120   0.183
  145   2HD1  LEU  20          2HD1      LEU  20  -8.489   3.347   1.337
  146   3HD1  LEU  20          3HD1      LEU  20  -9.138   4.100  -0.119
  147   1HD2  LEU  20          1HD2      LEU  20  -9.930   6.247  -0.022
  148   2HD2  LEU  20          2HD2      LEU  20 -10.659   5.538   1.419
  149   3HD2  LEU  20          3HD2      LEU  20  -9.888   7.123   1.509
  150    H    LEU  21           H        LEU  21  -5.560   4.389   2.397
  151    HA   LEU  21           HA       LEU  21  -4.360   6.590   0.840
  152   1HB   LEU  21          2HB       LEU  21  -3.078   5.246   2.790
  153   2HB   LEU  21          1HB       LEU  21  -2.739   4.190   1.432
  154    HG   LEU  21           HG       LEU  21  -2.239   7.071   0.991
  155   1HD1  LEU  21          1HD1      LEU  21  -0.091   7.003   2.131
  156   2HD1  LEU  21          2HD1      LEU  21  -1.424   6.800   3.268
  157   3HD1  LEU  21          3HD1      LEU  21  -0.475   5.402   2.765
  158   1HD2  LEU  21          1HD2      LEU  21  -0.289   4.896   0.464
  159   2HD2  LEU  21          2HD2      LEU  21  -1.774   4.924  -0.487
  160   3HD2  LEU  21          3HD2      LEU  21  -0.690   6.314  -0.503
  161    H    TYR  22           H        TYR  22  -3.790   6.164  -1.258
  162    HA   TYR  22           HA       TYR  22  -4.670   3.585  -2.376
  163   1HB   TYR  22          2HB       TYR  22  -4.327   6.008  -4.105
  164   2HB   TYR  22          1HB       TYR  22  -5.383   4.620  -4.332
  165    HD1  TYR  22           1HD      TYR  22  -5.093   7.976  -3.004
  166    HD2  TYR  22           2HD      TYR  22  -7.507   4.467  -3.016
  167    HE1  TYR  22           1HE      TYR  22  -6.988   9.285  -2.154
  168    HE2  TYR  22           2HE      TYR  22  -9.407   5.775  -2.162
  169    HH   TYR  22           HH       TYR  22 -10.208   7.926  -1.905
  170    H    ALA  23           H        ALA  23  -2.981   2.350  -2.931
  171    HA   ALA  23           HA       ALA  23  -0.589   3.589  -4.070
  172   1HB   ALA  23          1HB       ALA  23  -0.234   1.622  -1.843
  173   2HB   ALA  23          2HB       ALA  23   0.911   2.800  -2.485
  174   3HB   ALA  23          3HB       ALA  23  -0.446   3.340  -1.496
  175    H    MET  24           H        MET  24   0.238   2.413  -5.676
  176    HA   MET  24           HA       MET  24   0.622   0.728  -7.151
  177   1HB   MET  24          2HB       MET  24   0.389  -0.674  -4.581
  178   2HB   MET  24          1HB       MET  24   0.022  -1.673  -5.980
  179   1HG   MET  24          2HG       MET  24   2.209  -0.964  -6.956
  180   2HG   MET  24          1HG       MET  24   2.568  -0.182  -5.416
  181   1HE   MET  24          1HE       MET  24   1.360  -2.842  -3.238
  182   2HE   MET  24          2HE       MET  24   3.091  -2.760  -2.913
  183   3HE   MET  24          3HE       MET  24   2.191  -1.287  -3.267
  184    H    ASP  25           H        ASP  25  -1.982   1.960  -6.820
  185    HA   ASP  25           HA       ASP  25  -4.065   1.858  -7.680
  186   1HB   ASP  25          2HB       ASP  25  -2.659  -0.196  -9.230
  187   2HB   ASP  25          1HB       ASP  25  -4.394  -0.467  -9.111
  188    H    SER  26           H        SER  26  -3.098   0.317  -5.239
  189    HA   SER  26           HA       SER  26  -5.632  -1.111  -4.804
  190   1HB   SER  26          2HB       SER  26  -3.466  -1.830  -2.955
  191   2HB   SER  26          1HB       SER  26  -4.582  -2.875  -3.837
  192    HG   SER  26           HG       SER  26  -2.937  -1.823  -5.610
  193    H    TYR  27           H        TYR  27  -6.195  -1.067  -2.375
  194    HA   TYR  27           HA       TYR  27  -5.545   1.635  -1.410
  195   1HB   TYR  27          2HB       TYR  27  -8.053   0.059  -0.805
  196   2HB   TYR  27          1HB       TYR  27  -7.730   1.740  -0.385
  197    HD1  TYR  27           1HD      TYR  27 -10.015   0.394  -2.109
  198    HD2  TYR  27           2HD      TYR  27  -6.464   2.532  -3.058
  199    HE1  TYR  27           1HE      TYR  27 -11.006   1.085  -4.249
  200    HE2  TYR  27           2HE      TYR  27  -7.447   3.229  -5.198
  201    HH   TYR  27           HH       TYR  27  -9.744   1.843  -6.691
  202    H    TRP  28           H        TRP  28  -5.326   1.965   0.818
  203    HA   TRP  28           HA       TRP  28  -4.674  -0.380   2.453
  204   1HB   TRP  28          2HB       TRP  28  -2.790   1.959   2.024
  205   2HB   TRP  28          1HB       TRP  28  -2.497   0.568   3.051
  206    HD1  TRP  28           HD       TRP  28  -3.051   1.249  -0.742
  207    HE1  TRP  28           1HE      TRP  28  -1.509  -0.337  -2.057
  208    HE3  TRP  28           3HE      TRP  28  -1.022  -1.336   3.176
  209    HZ2  TRP  28           2HZ      TRP  28   0.338  -2.399  -1.499
  210    HZ3  TRP  28           3HZ      TRP  28   0.633  -3.091   2.699
  211    HH2  TRP  28           HH       TRP  28   1.299  -3.613   0.410
  212    H    HIS  29           H        HIS  29  -3.979   0.410   4.689
  213    HA   HIS  29           HA       HIS  29  -5.632   2.698   5.519
  214   1HB   HIS  29          2HB       HIS  29  -4.499   0.360   7.050
  215   2HB   HIS  29          1HB       HIS  29  -5.002   1.832   7.874
  216    HD2  HIS  29           2HD      HIS  29  -7.831   2.472   7.299
  217    HE1  HIS  29           1HE      HIS  29  -8.719  -1.654   6.916
  218    HE2  HIS  29           2HE      HIS  29  -9.686   0.651   7.391
  219    H    SER  30           H        SER  30  -4.546   4.148   7.145
  220    HA   SER  30           HA       SER  30  -2.288   5.259   6.022
  221   1HB   SER  30          2HB       SER  30  -2.471   5.889   8.847
  222   2HB   SER  30          1HB       SER  30  -2.747   6.917   7.440
  223    HG   SER  30           HG       SER  30  -4.646   6.720   8.646
  224    H    ARG  31           H        ARG  31  -2.452   3.156   8.901
  225    HA   ARG  31           HA       ARG  31   0.477   3.090   8.928
  226   1HB   ARG  31          2HB       ARG  31  -1.153   3.385  11.013
  227   2HB   ARG  31          1HB       ARG  31  -1.100   1.627  10.981
  228   1HG   ARG  31          2HG       ARG  31   1.553   2.387  10.712
  229   2HG   ARG  31          1HG       ARG  31   0.888   3.524  11.886
  230   1HD   ARG  31          2HD       ARG  31   1.882   1.280  12.712
  231   2HD   ARG  31          1HD       ARG  31   0.364   1.853  13.400
  232    HE   ARG  31           HE       ARG  31  -0.796   0.232  12.085
  233   1HH1  ARG  31          2HH1      ARG  31   2.697  -0.107  12.074
  234   2HH1  ARG  31          1HH1      ARG  31   2.655  -1.751  11.504
  235   1HH2  ARG  31          2HH2      ARG  31  -0.842  -1.913  11.293
  236   2HH2  ARG  31          1HH2      ARG  31   0.654  -2.766  11.055
  237    H    CYS  32           H        CYS  32  -1.907   1.420   7.435
  238    HA   CYS  32           HA       CYS  32  -0.814  -1.238   7.784
  239   1HB   CYS  32          2HB       CYS  32  -2.977  -0.065   6.064
  240   2HB   CYS  32          1HB       CYS  32  -2.338  -1.670   5.723
  241    H    LEU  33           H        LEU  33  -0.512   1.496   5.690
  242    HA   LEU  33           HA       LEU  33   1.391   0.113   3.964
  243   1HB   LEU  33          2HB       LEU  33  -0.186   1.818   3.011
  244   2HB   LEU  33          1HB       LEU  33   0.629   3.037   3.972
  245    HG   LEU  33           HG       LEU  33   2.769   2.143   2.721
  246   1HD1  LEU  33          1HD1      LEU  33   1.700   1.812   0.255
  247   2HD1  LEU  33          2HD1      LEU  33   2.238   0.497   1.298
  248   3HD1  LEU  33          3HD1      LEU  33   0.533   0.945   1.252
  249   1HD2  LEU  33          1HD2      LEU  33   1.381   4.388   2.599
  250   2HD2  LEU  33          2HD2      LEU  33   2.685   4.030   1.467
  251   3HD2  LEU  33          3HD2      LEU  33   1.007   3.774   0.987
  252    H    LYS  34           H        LYS  34   2.356  -0.287   6.219
  253    HA   LYS  34           HA       LYS  34   3.981   1.932   7.190
  254   1HB   LYS  34          2HB       LYS  34   4.416   0.615   9.111
  255   2HB   LYS  34          1HB       LYS  34   2.717   0.362   8.741
  256   1HG   LYS  34          2HG       LYS  34   4.589  -1.568   7.536
  257   2HG   LYS  34          1HG       LYS  34   4.448  -1.621   9.294
  258   1HD   LYS  34          2HD       LYS  34   2.339  -2.420   9.231
  259   2HD   LYS  34          1HD       LYS  34   1.901  -1.429   7.836
  260   1HE   LYS  34          2HE       LYS  34   3.148  -2.969   6.378
  261   2HE   LYS  34          1HE       LYS  34   3.521  -3.974   7.778
  262   1HZ   LYS  34          1HZ       LYS  34   0.706  -3.399   7.435
  263   2HZ   LYS  34          2HZ       LYS  34   1.480  -4.867   7.779
  264   3HZ   LYS  34          3HZ       LYS  34   1.387  -4.312   6.178
  265    H    CYS  35           H        CYS  35   6.229   1.662   7.552
  266    HA   CYS  35           HA       CYS  35   7.508   0.624   5.245
  267   1HB   CYS  35          2HB       CYS  35   8.076   2.547   7.177
  268   2HB   CYS  35          1HB       CYS  35   9.313   1.322   7.370
  269    H    SER  36           H        SER  36   9.824  -0.438   5.881
  270    HA   SER  36           HA       SER  36   9.057  -2.911   7.261
  271   1HB   SER  36          2HB       SER  36  11.435  -2.739   5.452
  272   2HB   SER  36          1HB       SER  36  10.397  -4.118   5.812
  273    HG   SER  36           HG       SER  36   9.308  -1.869   4.519
  274    H    SER  37           H        SER  37  11.816  -0.638   6.937
  275    HA   SER  37           HA       SER  37  12.951  -1.919   9.316
  276   1HB   SER  37          2HB       SER  37  15.077  -1.078   8.690
  277   2HB   SER  37          1HB       SER  37  14.327  -1.663   7.207
  278    HG   SER  37           HG       SER  37  13.729   0.512   6.752
  279    H    CYS  38           H        CYS  38  11.979   1.308   8.114
  280    HA   CYS  38           HA       CYS  38  12.563   2.396  10.753
  281   1HB   CYS  38          2HB       CYS  38  12.404   4.501   9.860
  282   2HB   CYS  38          1HB       CYS  38  12.862   3.603   8.424
  283    H    GLN  39           H        GLN  39  10.038   1.034   8.975
  284    HA   GLN  39           HA       GLN  39   7.821   0.658   9.340
  285   1HB   GLN  39          2HB       GLN  39   9.100   0.318  12.038
  286   2HB   GLN  39          1HB       GLN  39   7.400  -0.047  11.762
  287   1HG   GLN  39          2HG       GLN  39   8.937  -1.294   9.720
  288   2HG   GLN  39          1HG       GLN  39   9.651  -1.681  11.284
  289   1HE2  GLN  39          1HE2      GLN  39   7.195  -2.393   9.091
  290   2HE2  GLN  39          2HE2      GLN  39   6.268  -3.456  10.104
  291    H    ALA  40           H        ALA  40   8.195   3.356   9.136
  292    HA   ALA  40           HA       ALA  40   6.724   4.593  11.292
  293   1HB   ALA  40          1HB       ALA  40   7.746   6.472  10.657
  294   2HB   ALA  40          2HB       ALA  40   8.686   5.500   9.524
  295   3HB   ALA  40          3HB       ALA  40   7.195   6.277   8.992
  296    H    GLN  41           H        GLN  41   5.000   6.068  10.554
  297    HA   GLN  41           HA       GLN  41   3.047   4.604   9.012
  298   1HB   GLN  41          2HB       GLN  41   2.489   5.898  11.101
  299   2HB   GLN  41          1HB       GLN  41   2.819   7.375  10.205
  300   1HG   GLN  41          2HG       GLN  41   0.943   7.166   8.896
  301   2HG   GLN  41          1HG       GLN  41   0.840   5.422   9.134
  302   1HE2  GLN  41          1HE2      GLN  41   1.258   7.869  11.630
  303   2HE2  GLN  41          2HE2      GLN  41  -0.253   7.565  12.422
  304    H    LEU  42           H        LEU  42   3.991   4.571   6.985
  305    HA   LEU  42           HA       LEU  42   5.043   6.747   5.632
  306   1HB   LEU  42          2HB       LEU  42   3.784   4.198   4.672
  307   2HB   LEU  42          1HB       LEU  42   4.407   5.390   3.552
  308    HG   LEU  42           HG       LEU  42   5.888   3.608   5.432
  309   1HD1  LEU  42          1HD1      LEU  42   7.328   3.335   3.465
  310   2HD1  LEU  42          2HD1      LEU  42   5.645   2.938   3.118
  311   3HD1  LEU  42          3HD1      LEU  42   6.318   4.476   2.578
  312   1HD2  LEU  42          1HD2      LEU  42   6.554   6.414   4.864
  313   2HD2  LEU  42          2HD2      LEU  42   7.097   5.358   6.166
  314   3HD2  LEU  42          3HD2      LEU  42   7.857   5.262   4.578
  315    H    GLY  43           H        GLY  43   1.753   5.771   6.130
  316   1HA   GLY  43          1HA       GLY  43   0.612   7.424   4.087
  317   2HA   GLY  43          2HA       GLY  43  -0.251   6.615   5.381
  318    H    ASP  44           H        ASP  44   2.128   8.308   6.874
  319    HA   ASP  44           HA       ASP  44   0.265  10.467   7.519
  320   1HB   ASP  44          2HB       ASP  44   1.043  10.209   9.602
  321   2HB   ASP  44          1HB       ASP  44   2.102   8.929   9.027
  322    H    ILE  45           H        ILE  45   3.343   9.895   6.008
  323    HA   ILE  45           HA       ILE  45   3.921  12.742   5.873
  324    HB   ILE  45           HB       ILE  45   6.012  11.896   4.639
  325   1HG1  ILE  45          2HG1      ILE  45   5.086   9.292   5.877
  326   1HG2  ILE  45          1HG2      ILE  45   6.994  11.116   6.871
  327   2HG2  ILE  45          2HG2      ILE  45   6.277  12.725   6.808
  328   3HG2  ILE  45          3HG2      ILE  45   5.378  11.388   7.527
  329   1HD1  ILE  45          1HD1      ILE  45   7.665  10.046   5.496
  330   2HD1  ILE  45          2HD1      ILE  45   7.083   8.381   5.474
  331   3HD1  ILE  45          3HD1      ILE  45   7.293   9.264   3.962
  332    H    GLY  46           H        GLY  46   2.952  10.105   3.767
  333   1HA   GLY  46          1HA       GLY  46   2.002  10.164   1.674
  334   2HA   GLY  46          2HA       GLY  46   1.897  11.909   1.842
  335    H    THR  47           H        THR  47   4.982  10.444   2.198
  336    HA   THR  47           HA       THR  47   5.886  11.762  -0.218
  337    HB   THR  47           HB       THR  47   7.873  10.294   1.383
  338    HG1  THR  47           1HG      THR  47   6.514  12.553   2.491
  339   1HG2  THR  47          1HG2      THR  47   7.723  12.558  -0.331
  340   2HG2  THR  47          2HG2      THR  47   9.155  11.813   0.376
  341   3HG2  THR  47          3HG2      THR  47   8.313  13.102   1.239
  342    H    SER  48           H        SER  48   8.072  10.255  -0.913
  343    HA   SER  48           HA       SER  48   6.807   8.354  -2.587
  344   1HB   SER  48          2HB       SER  48   9.685   8.175  -2.609
  345   2HB   SER  48          1HB       SER  48   8.601   8.814  -3.849
  346    HG   SER  48           HG       SER  48   8.979  10.785  -3.179
  347    H    SER  49           H        SER  49   6.732   6.206  -2.498
  348    HA   SER  49           HA       SER  49   8.372   4.779  -0.527
  349   1HB   SER  49          2HB       SER  49   6.253   3.215  -0.418
  350   2HB   SER  49          1HB       SER  49   6.315   4.675   0.572
  351    HG   SER  49           HG       SER  49   4.758   5.511  -0.562
  352    H    TYR  50           H        TYR  50   8.886   2.613  -1.153
  353    HA   TYR  50           HA       TYR  50   8.467   2.103  -4.025
  354   1HB   TYR  50          2HB       TYR  50  10.971   1.573  -2.407
  355   2HB   TYR  50          1HB       TYR  50  10.753   1.213  -4.120
  356    HD1  TYR  50           1HD      TYR  50   9.611   3.455  -5.325
  357    HD2  TYR  50           2HD      TYR  50  12.365   3.395  -2.087
  358    HE1  TYR  50           1HE      TYR  50  10.317   5.740  -5.894
  359    HE2  TYR  50           2HE      TYR  50  13.084   5.678  -2.646
  360    HH   TYR  50           HH       TYR  50  11.768   7.375  -5.478
  361    H    THR  51           H        THR  51   8.531  -0.116  -4.691
  362    HA   THR  51           HA       THR  51   7.645  -1.916  -2.531
  363    HB   THR  51           HB       THR  51   6.793  -2.094  -5.408
  364    HG1  THR  51           1HG      THR  51   6.201  -0.150  -3.729
  365   1HG2  THR  51          1HG2      THR  51   5.013  -2.952  -3.237
  366   2HG2  THR  51          2HG2      THR  51   6.513  -3.869  -3.355
  367   3HG2  THR  51          3HG2      THR  51   5.433  -3.766  -4.743
  368    H    LYS  52           H        LYS  52   9.126  -3.408  -2.137
  369    HA   LYS  52           HA       LYS  52  10.018  -5.098  -4.284
  370   1HB   LYS  52          2HB       LYS  52  11.751  -3.035  -3.318
  371   2HB   LYS  52          1HB       LYS  52  12.401  -4.593  -2.824
  372   1HG   LYS  52          2HG       LYS  52  12.844  -5.241  -4.952
  373   2HG   LYS  52          1HG       LYS  52  11.490  -4.335  -5.628
  374   1HD   LYS  52          2HD       LYS  52  12.679  -2.335  -5.653
  375   2HD   LYS  52          1HD       LYS  52  13.853  -2.908  -4.465
  376   1HE   LYS  52          2HE       LYS  52  15.093  -4.007  -6.018
  377   2HE   LYS  52          1HE       LYS  52  13.696  -4.390  -7.021
  378   1HZ   LYS  52          1HZ       LYS  52  14.576  -1.594  -6.820
  379   2HZ   LYS  52          2HZ       LYS  52  13.805  -2.392  -8.101
  380   3HZ   LYS  52          3HZ       LYS  52  15.452  -2.659  -7.808
  381    H    SER  53           H        SER  53  10.516  -7.144  -3.587
  382    HA   SER  53           HA       SER  53  10.553  -8.961  -2.220
  383   1HB   SER  53          2HB       SER  53  11.141  -6.920  -0.065
  384   2HB   SER  53          1HB       SER  53  11.168  -8.665   0.187
  385    HG   SER  53           HG       SER  53  12.757  -7.283  -1.728
  386    H    GLY  54           H        GLY  54   8.136  -7.180  -2.682
  387   1HA   GLY  54          1HA       GLY  54   5.894  -7.317  -2.156
  388   2HA   GLY  54          2HA       GLY  54   6.276  -8.650  -1.069
  389    H    MET  55           H        MET  55   8.077  -5.802  -0.628
  390    HA   MET  55           HA       MET  55   6.505  -5.164   1.775
  391   1HB   MET  55          2HB       MET  55   9.237  -5.870   1.461
  392   2HB   MET  55          1HB       MET  55   9.188  -4.177   1.928
  393   1HG   MET  55          2HG       MET  55   8.509  -4.630   4.007
  394   2HG   MET  55          1HG       MET  55   7.421  -5.914   3.484
  395   1HE   MET  55          1HE       MET  55  11.965  -6.626   3.687
  396   2HE   MET  55          2HE       MET  55  11.119  -6.422   2.155
  397   3HE   MET  55          3HE       MET  55  11.182  -5.092   3.309
  398    H    ILE  56           H        ILE  56   6.821  -2.911   2.545
  399    HA   ILE  56           HA       ILE  56   6.989  -1.022   0.286
  400    HB   ILE  56           HB       ILE  56   5.255  -0.784   2.753
  401   1HG1  ILE  56          2HG1      ILE  56   4.425  -2.454   1.130
  402   1HG2  ILE  56          1HG2      ILE  56   4.631   1.311   2.116
  403   2HG2  ILE  56          2HG2      ILE  56   6.294   1.307   1.523
  404   3HG2  ILE  56          3HG2      ILE  56   4.959   1.014   0.408
  405   1HD1  ILE  56          1HD1      ILE  56   5.372  -1.551  -0.934
  406   2HD1  ILE  56          2HD1      ILE  56   3.629  -1.795  -1.054
  407   3HD1  ILE  56          3HD1      ILE  56   4.275  -0.171  -0.823
  408    H    LEU  57           H        LEU  57   8.482   0.522   0.486
  409    HA   LEU  57           HA       LEU  57   9.602   1.105   3.143
  410   1HB   LEU  57          2HB       LEU  57  11.380   0.818   0.748
  411   2HB   LEU  57          1HB       LEU  57  11.805   0.751   2.446
  412    HG   LEU  57           HG       LEU  57  10.128  -1.431   2.113
  413   1HD1  LEU  57          1HD1      LEU  57  11.677  -2.456   0.154
  414   2HD1  LEU  57          2HD1      LEU  57  10.072  -1.775  -0.112
  415   3HD1  LEU  57          3HD1      LEU  57  11.508  -0.794  -0.410
  416   1HD2  LEU  57          1HD2      LEU  57  11.862  -1.989   3.411
  417   2HD2  LEU  57          2HD2      LEU  57  12.644  -2.471   1.905
  418   3HD2  LEU  57          3HD2      LEU  57  12.956  -0.876   2.590
  419    H    CYS  58           H        CYS  58  10.404   3.178   3.413
  420    HA   CYS  58           HA       CYS  58   9.616   5.156   1.466
  421   1HB   CYS  58          2HB       CYS  58  10.484   6.806   3.052
  422   2HB   CYS  58          1HB       CYS  58   9.435   5.662   3.875
  423    H    ARG  59           H        ARG  59  11.423   6.914   1.020
  424    HA   ARG  59           HA       ARG  59  13.308   5.732  -0.680
  425   1HB   ARG  59          2HB       ARG  59  12.610   8.004  -1.041
  426   2HB   ARG  59          1HB       ARG  59  13.205   8.494   0.538
  427   1HG   ARG  59          2HG       ARG  59  14.976   9.216  -0.624
  428   2HG   ARG  59          1HG       ARG  59  15.473   7.526  -0.564
  429   1HD   ARG  59          2HD       ARG  59  15.568   8.627  -2.835
  430   2HD   ARG  59          1HD       ARG  59  14.677   7.110  -2.747
  431    HE   ARG  59           HE       ARG  59  12.854   8.232  -3.488
  432   1HH1  ARG  59          2HH1      ARG  59  14.998  10.573  -1.995
  433   2HH1  ARG  59          1HH1      ARG  59  13.926  11.914  -2.266
  434   1HH2  ARG  59          2HH2      ARG  59  11.479  10.018  -3.919
  435   2HH2  ARG  59          1HH2      ARG  59  11.943  11.599  -3.365
  436    H    ASN  60           H        ASN  60  13.576   6.892   2.628
  437    HA   ASN  60           HA       ASN  60  16.370   6.498   2.917
  438   1HB   ASN  60          2HB       ASN  60  15.558   7.887   4.558
  439   2HB   ASN  60          1HB       ASN  60  14.057   6.985   4.732
  440   1HD2  ASN  60          1HD2      ASN  60  13.861   6.082   6.631
  441   2HD2  ASN  60          2HD2      ASN  60  15.143   5.463   7.613
  442    H    ASP  61           H        ASP  61  13.553   4.462   3.602
  443    HA   ASP  61           HA       ASP  61  14.926   2.283   4.764
  444   1HB   ASP  61          2HB       ASP  61  12.248   2.768   3.657
  445   2HB   ASP  61          1HB       ASP  61  12.803   1.108   3.488
  446    H    TYR  62           H        TYR  62  14.048   3.059   1.459
  447    HA   TYR  62           HA       TYR  62  14.679   0.702   0.198
  448   1HB   TYR  62          2HB       TYR  62  13.614   2.813  -0.760
  449   2HB   TYR  62          1HB       TYR  62  15.255   3.403  -1.002
  450    HD1  TYR  62           1HD      TYR  62  16.190   3.078  -3.066
  451    HD2  TYR  62           2HD      TYR  62  13.240   0.334  -1.709
  452    HE1  TYR  62           1HE      TYR  62  16.314   1.890  -5.212
  453    HE2  TYR  62           2HE      TYR  62  13.348  -0.857  -3.856
  454    HH   TYR  62           HH       TYR  62  14.522   0.339  -6.562
  455    H    ILE  63           H        ILE  63  16.857   3.484   0.686
  456    HA   ILE  63           HA       ILE  63  19.110   2.195  -0.458
  457    HB   ILE  63           HB       ILE  63  19.486   4.349   1.569
  458   1HG1  ILE  63          2HG1      ILE  63  17.440   4.952   0.242
  459   1HG2  ILE  63          1HG2      ILE  63  21.460   4.571   0.576
  460   2HG2  ILE  63          2HG2      ILE  63  21.079   3.113  -0.341
  461   3HG2  ILE  63          3HG2      ILE  63  20.717   4.700  -1.017
  462   1HD1  ILE  63          1HD1      ILE  63  18.470   3.917  -1.933
  463   2HD1  ILE  63          2HD1      ILE  63  17.414   5.330  -2.003
  464   3HD1  ILE  63          3HD1      ILE  63  19.162   5.531  -2.104
  465    H    ARG  64           H        ARG  64  17.759   2.270   2.744
  466    HA   ARG  64           HA       ARG  64  20.030   1.247   4.124
  467   1HB   ARG  64          2HB       ARG  64  18.467   2.301   5.504
  468   2HB   ARG  64          1HB       ARG  64  17.104   1.506   4.735
  469   1HG   ARG  64          2HG       ARG  64  17.198  -0.259   6.112
  470   2HG   ARG  64          1HG       ARG  64  18.962  -0.304   6.102
  471   1HD   ARG  64          2HD       ARG  64  18.343   0.232   8.312
  472   2HD   ARG  64          1HD       ARG  64  18.885   1.744   7.586
  473    HE   ARG  64           HE       ARG  64  16.014   1.122   7.625
  474   1HH1  ARG  64          2HH1      ARG  64  18.710   3.064   8.749
  475   2HH1  ARG  64          1HH1      ARG  64  17.696   4.306   9.433
  476   1HH2  ARG  64          2HH2      ARG  64  14.684   2.734   8.545
  477   2HH2  ARG  64          1HH2      ARG  64  15.406   4.114   9.324
  478    H    LEU  65           H        LEU  65  17.182  -0.208   2.638
  479    HA   LEU  65           HA       LEU  65  17.895  -2.837   3.544
  480   1HB   LEU  65          2HB       LEU  65  15.586  -1.538   2.368
  481   2HB   LEU  65          1HB       LEU  65  15.883  -3.105   1.640
  482    HG   LEU  65           HG       LEU  65  14.400  -3.554   3.384
  483   1HD1  LEU  65          1HD1      LEU  65  15.648  -5.280   3.993
  484   2HD1  LEU  65          2HD1      LEU  65  17.131  -4.381   3.671
  485   3HD1  LEU  65          3HD1      LEU  65  16.357  -4.267   5.250
  486   1HD2  LEU  65          1HD2      LEU  65  16.013  -1.564   4.936
  487   2HD2  LEU  65          2HD2      LEU  65  14.282  -1.567   4.594
  488   3HD2  LEU  65          3HD2      LEU  65  14.954  -2.719   5.749
  489    H    PHE  66           H        PHE  66  17.426  -1.446   0.283
  490    HA   PHE  66           HA       PHE  66  19.205  -3.572  -0.732
  491   1HB   PHE  66          2HB       PHE  66  17.108  -2.310  -2.463
  492   2HB   PHE  66          1HB       PHE  66  17.837  -3.908  -2.582
  493    HD1  PHE  66           1HD      PHE  66  17.284  -5.521  -0.576
  494    HD2  PHE  66           2HD      PHE  66  14.965  -2.124  -1.666
  495    HE1  PHE  66           1HE      PHE  66  15.333  -6.493   0.561
  496    HE2  PHE  66           2HE      PHE  66  13.011  -3.088  -0.527
  497    HZ   PHE  66           HZ       PHE  66  13.194  -5.276   0.586
  498    H    GLY  67           H        GLY  67  19.651  -0.658   0.061
  499   1HA   GLY  67          1HA       GLY  67  20.130   0.838  -2.296
  500   2HA   GLY  67          2HA       GLY  67  20.783   1.192  -0.705
  501    H    ASN  68           H        ASN  68  21.847  -1.744  -0.936
  502    HA   ASN  68           HA       ASN  68  23.823  -2.750  -1.394
  503   1HB   ASN  68          2HB       ASN  68  22.726  -2.213  -3.767
  504   2HB   ASN  68          1HB       ASN  68  24.177  -1.231  -3.930
  505   1HD2  ASN  68          1HD2      ASN  68  23.706  -3.335  -5.595
  506   2HD2  ASN  68          2HD2      ASN  68  24.847  -4.604  -5.271
  507    H    SER  69           H        SER  69  25.293  -0.529  -3.434
  508    HA   SER  69           HA       SER  69  27.262   0.105  -1.434
  509   1HB   SER  69          2HB       SER  69  27.451   1.346  -4.108
  510   2HB   SER  69          1HB       SER  69  28.656   0.440  -3.192
  511    HG   SER  69           HG       SER  69  27.982  -1.388  -4.052
  512    H    GLY  70           H        GLY  70  24.616   1.304  -1.117
  513   1HA   GLY  70          1HA       GLY  70  23.791   3.301  -0.345
  514   2HA   GLY  70          2HA       GLY  70  25.434   3.921  -0.409
  515    H    ALA  71           H        ALA  71  23.136   2.802  -2.892
  516    HA   ALA  71           HA       ALA  71  23.899   4.962  -4.633
  517   1HB   ALA  71          1HB       ALA  71  21.536   3.575  -5.509
  518   2HB   ALA  71          2HB       ALA  71  23.145   3.611  -6.231
  519   3HB   ALA  71          3HB       ALA  71  22.768   2.428  -4.978
  520    H    GLY  72           H        GLY  72  23.189   6.412  -2.721
  521   1HA   GLY  72          1HA       GLY  72  20.527   7.439  -3.425
  522   2HA   GLY  72          2HA       GLY  72  20.930   7.174  -1.732
  523    H    GLY  73           H        GLY  73  20.994   9.360  -4.278
  524   1HA   GLY  73          1HA       GLY  73  22.744  11.148  -2.719
  525   2HA   GLY  73          2HA       GLY  73  22.898  11.026  -4.466
  526    H    SER  74           H        SER  74  20.673  11.906  -1.870
  527    HA   SER  74           HA       SER  74  18.779  13.149  -3.591
  528   1HB   SER  74          2HB       SER  74  18.974  14.020  -0.757
  529   2HB   SER  74          1HB       SER  74  17.563  13.519  -1.688
  530    HG   SER  74           HG       SER  74  18.164  11.372  -1.432
  531    H    GLY  75           H        GLY  75  18.696  15.185  -4.368
  532   1HA   GLY  75          1HA       GLY  75  19.861  17.458  -3.243
  533   2HA   GLY  75          2HA       GLY  75  21.021  16.780  -4.376
  534    H    GLY  76           H        GLY  76  20.340  19.168  -5.065
  535   1HA   GLY  76          1HA       GLY  76  17.908  19.241  -6.632
  536   2HA   GLY  76          2HA       GLY  76  19.075  20.541  -6.449
  537    H    HIS  77           H        HIS  77  21.113  18.263  -7.224
  538    HA   HIS  77           HA       HIS  77  21.307  19.078  -9.950
  539   1HB   HIS  77          2HB       HIS  77  23.146  18.205  -8.225
  540   2HB   HIS  77          1HB       HIS  77  22.793  16.674  -9.020
  541    HD1  HIS  77           1HD      HIS  77  23.330  16.535 -11.610
  542    HD2  HIS  77           2HD      HIS  77  24.679  19.971  -9.685
  543    HE1  HIS  77           1HE      HIS  77  24.970  17.600 -13.191
  544    HE2  HIS  77           2HE      HIS  77  25.733  19.710 -12.038
  545    H    MET  78           H        MET  78  19.862  16.383  -8.330
  546    HA   MET  78           HA       MET  78  18.437  15.587 -10.654
  547   1HB   MET  78          2HB       MET  78  20.324  14.435 -11.437
  548   2HB   MET  78          1HB       MET  78  20.824  13.956  -9.824
  549   1HG   MET  78          2HG       MET  78  19.931  11.978 -10.246
  550   2HG   MET  78          1HG       MET  78  18.350  12.749 -10.155
  551   1HE   MET  78          1HE       MET  78  16.718  12.135 -11.817
  552   2HE   MET  78          2HE       MET  78  17.102  13.771 -12.353
  553   3HE   MET  78          3HE       MET  78  16.917  12.475 -13.537
  554    H    GLY  79           H        GLY  79  19.729  14.369  -7.579
  555   1HA   GLY  79          1HA       GLY  79  18.589  13.733  -5.673
  556   2HA   GLY  79          2HA       GLY  79  17.077  14.104  -6.491
  557    H    SER  80           H        SER  80  15.939  12.512  -7.400
  558    HA   SER  80           HA       SER  80  16.935   9.789  -7.028
  559   1HB   SER  80          2HB       SER  80  14.150  10.369  -7.946
  560   2HB   SER  80          1HB       SER  80  14.739   9.086  -6.889
  561    HG   SER  80           HG       SER  80  15.164  10.789  -5.316
  562    H    GLY  81           H        GLY  81  17.394   8.470  -8.665
  563   1HA   GLY  81          1HA       GLY  81  16.532   8.119 -11.147
  564   2HA   GLY  81          2HA       GLY  81  17.418   9.629 -11.343
  565    H    GLY  82           H        GLY  82  17.907   6.488  -9.742
  566   1HA   GLY  82          1HA       GLY  82  20.731   6.626 -10.540
  567   2HA   GLY  82          2HA       GLY  82  20.076   5.620  -9.257
  568    H    ASP  83           H        ASP  83  18.920   5.985 -12.576
  569    HA   ASP  83           HA       ASP  83  19.691   3.190 -13.067
  570   1HB   ASP  83          2HB       ASP  83  17.096   3.894 -12.802
  571   2HB   ASP  83          1HB       ASP  83  17.317   4.220 -14.520
  572    H    VAL  84           H        VAL  84  19.566   2.764 -15.535
  573    HA   VAL  84           HA       VAL  84  20.552   3.109 -17.550
  574    HB   VAL  84           HB       VAL  84  19.962   6.049 -17.163
  575   1HG1  VAL  84          1HG1      VAL  84  21.495   5.049 -19.059
  576   2HG1  VAL  84          2HG1      VAL  84  19.938   4.646 -19.788
  577   3HG1  VAL  84          3HG1      VAL  84  20.326   6.325 -19.407
  578   1HG2  VAL  84          1HG2      VAL  84  17.887   4.965 -16.851
  579   2HG2  VAL  84          2HG2      VAL  84  17.899   5.494 -18.533
  580   3HG2  VAL  84          3HG2      VAL  84  18.214   3.805 -18.137
  581    H    MET  85           H        MET  85  22.419   2.484 -16.242
  582    HA   MET  85           HA       MET  85  24.673   2.596 -15.907
  583   1HB   MET  85          2HB       MET  85  24.263   4.974 -17.520
  584   2HB   MET  85          1HB       MET  85  25.486   5.241 -16.286
  585   1HG   MET  85          2HG       MET  85  26.947   3.800 -17.222
  586   2HG   MET  85          1HG       MET  85  25.680   2.728 -17.815
  587   1HE   MET  85          1HE       MET  85  27.574   6.331 -19.795
  588   2HE   MET  85          2HE       MET  85  27.714   5.776 -18.127
  589   3HE   MET  85          3HE       MET  85  28.495   4.873 -19.427
  590    H    VAL  86           H        VAL  86  26.238   3.859 -14.462
  591    HA   VAL  86           HA       VAL  86  26.735   5.010 -12.535
  592    HB   VAL  86           HB       VAL  86  24.194   6.089 -12.964
  593   1HG1  VAL  86          1HG1      VAL  86  24.379   5.154 -10.099
  594   2HG1  VAL  86          2HG1      VAL  86  23.120   6.165 -10.809
  595   3HG1  VAL  86          3HG1      VAL  86  23.280   4.480 -11.306
  596   1HG2  VAL  86          1HG2      VAL  86  26.465   7.081 -12.322
  597   2HG2  VAL  86          2HG2      VAL  86  25.007   7.872 -11.718
  598   3HG2  VAL  86          3HG2      VAL  86  25.948   6.824 -10.655
  599    H    VAL  87           H        VAL  87  24.605   2.391 -12.907
  600    HA   VAL  87           HA       VAL  87  24.944   1.479 -10.161
  601    HB   VAL  87           HB       VAL  87  23.753  -0.378 -12.119
  602   1HG1  VAL  87          1HG1      VAL  87  22.391  -0.977 -10.333
  603   2HG1  VAL  87          2HG1      VAL  87  23.908  -0.534  -9.551
  604   3HG1  VAL  87          3HG1      VAL  87  22.555   0.596  -9.555
  605   1HG2  VAL  87          1HG2      VAL  87  21.721   1.513 -11.321
  606   2HG2  VAL  87          2HG2      VAL  87  22.964   2.294 -12.300
  607   3HG2  VAL  87          3HG2      VAL  87  22.104   0.888 -12.924
  608    H    GLY  88           H        GLY  88  27.048   0.926  -9.890
  609   1HA   GLY  88          1HA       GLY  88  28.530  -0.967  -9.896
  610   2HA   GLY  88          2HA       GLY  88  28.010  -1.316 -11.540
  611    H    GLU  89           H        GLU  89  28.414   0.722 -13.035
  612    HA   GLU  89           HA       GLU  89  31.259   1.078 -13.047
  613   1HB   GLU  89          2HB       GLU  89  29.950   2.816 -14.918
  614   2HB   GLU  89          1HB       GLU  89  30.943   1.402 -15.232
  615   1HG   GLU  89          2HG       GLU  89  29.024   0.733 -16.232
  616   2HG   GLU  89          1HG       GLU  89  28.718   0.133 -14.602
  617    HA   PRO  90           HA       PRO  90  31.476   4.922 -10.927
  618   1HB   PRO  90          2HB       PRO  90  33.837   5.675 -12.451
  619   2HB   PRO  90          1HB       PRO  90  33.719   5.137 -10.774
  620   1HG   PRO  90          2HG       PRO  90  34.865   3.642 -12.733
  621   2HG   PRO  90          1HG       PRO  90  34.057   2.937 -11.320
  622   1HD   PRO  90          2HD       PRO  90  33.026   3.294 -14.113
  623   2HD   PRO  90          1HD       PRO  90  32.856   1.905 -13.016
  624    H    THR  91           H        THR  91  29.615   5.176 -12.905
  625    HA   THR  91           HA       THR  91  30.234   7.344 -14.687
  626    HB   THR  91           HB       THR  91  27.548   6.190 -13.892
  627    HG1  THR  91           1HG      THR  91  28.204   4.564 -15.088
  628   1HG2  THR  91          1HG2      THR  91  27.729   7.336 -16.542
  629   2HG2  THR  91          2HG2      THR  91  28.102   8.531 -15.301
  630   3HG2  THR  91          3HG2      THR  91  26.569   7.660 -15.255
  631    H    LEU  92           H        LEU  92  30.074   9.475 -14.289
  632    HA   LEU  92           HA       LEU  92  29.330  10.301 -11.602
  633   1HB   LEU  92          2HB       LEU  92  31.259  11.118 -13.449
  634   2HB   LEU  92          1HB       LEU  92  30.108  12.441 -13.394
  635    HG   LEU  92           HG       LEU  92  30.602  11.721 -10.714
  636   1HD1  LEU  92          1HD1      LEU  92  33.242  12.466 -11.339
  637   2HD1  LEU  92          2HD1      LEU  92  32.680  10.965 -10.605
  638   3HD1  LEU  92          3HD1      LEU  92  32.848  11.081 -12.355
  639   1HD2  LEU  92          1HD2      LEU  92  31.202  14.023 -12.510
  640   2HD2  LEU  92          2HD2      LEU  92  30.141  13.935 -11.102
  641   3HD2  LEU  92          3HD2      LEU  92  31.891  13.993 -10.886
  642    H    MET  93           H        MET  93  27.043   9.811 -12.001
  643    HA   MET  93           HA       MET  93  25.579  12.167 -12.667
  644   1HB   MET  93          2HB       MET  93  26.083  10.418 -14.807
  645   2HB   MET  93          1HB       MET  93  24.427  10.090 -14.321
  646   1HG   MET  93          2HG       MET  93  25.548  12.788 -15.049
  647   2HG   MET  93          1HG       MET  93  24.534  11.774 -16.076
  648   1HE   MET  93          1HE       MET  93  21.122  12.775 -15.335
  649   2HE   MET  93          2HE       MET  93  22.348  13.423 -16.427
  650   3HE   MET  93          3HE       MET  93  22.238  11.685 -16.156
  651    H    GLY  94           H        GLY  94  23.091  10.915 -13.136
  652   1HA   GLY  94          1HA       GLY  94  21.337   9.947 -12.043
  653   2HA   GLY  94          2HA       GLY  94  22.497   8.745 -11.504
  654    H    GLY  95           H        GLY  95  21.299   8.595  -9.567
  655   1HA   GLY  95          1HA       GLY  95  22.356  10.180  -7.462
  656   2HA   GLY  95          2HA       GLY  95  20.684  10.621  -7.785
  657    H    GLU  96           H        GLU  96  19.390   9.695  -6.344
  658    HA   GLU  96           HA       GLU  96  20.036   7.126  -5.165
  659   1HB   GLU  96          2HB       GLU  96  17.299   8.032  -4.739
  660   2HB   GLU  96          1HB       GLU  96  18.559   7.657  -3.570
  661   1HG   GLU  96          2HG       GLU  96  19.344   9.826  -3.519
  662   2HG   GLU  96          1HG       GLU  96  18.634  10.229  -5.081
  663    H    PHE  97           H        PHE  97  19.383   5.209  -5.894
  664    HA   PHE  97           HA       PHE  97  17.868   5.158  -8.360
  665   1HB   PHE  97          2HB       PHE  97  18.645   2.990  -8.677
  666   2HB   PHE  97          1HB       PHE  97  19.967   3.750  -7.803
  667    HD1  PHE  97           1HD      PHE  97  18.261   0.834  -8.104
  668    HD2  PHE  97           2HD      PHE  97  19.504   3.560  -5.085
  669    HE1  PHE  97           1HE      PHE  97  18.197  -0.979  -6.443
  670    HE2  PHE  97           2HE      PHE  97  19.430   1.757  -3.416
  671    HZ   PHE  97           HZ       PHE  97  18.781  -0.518  -4.099
  672    H    GLY  98           H        GLY  98  16.153   3.425  -8.620
  673   1HA   GLY  98          1HA       GLY  98  14.276   2.275  -7.692
  674   2HA   GLY  98          2HA       GLY  98  14.499   3.183  -6.200
  675    H    ASP  99           H        ASP  99  14.952   5.186  -8.799
  676    HA   ASP  99           HA       ASP  99  12.649   6.740  -8.263
  677   1HB   ASP  99          2HB       ASP  99  14.366   8.047  -9.056
  678   2HB   ASP  99          1HB       ASP  99  14.907   6.831 -10.206
  679    H    GLU 100           H        GLU 100  13.230   4.080 -10.350
  680    HA   GLU 100           HA       GLU 100  11.144   4.564 -12.237
  681   1HB   GLU 100          2HB       GLU 100  11.855   1.757 -11.636
  682   2HB   GLU 100          1HB       GLU 100  11.737   2.583 -13.182
  683   1HG   GLU 100          2HG       GLU 100  13.972   2.219 -13.122
  684   2HG   GLU 100          1HG       GLU 100  13.921   3.782 -12.305
  685    H    ASP 101           H        ASP 101  11.174   3.573  -8.975
  686    HA   ASP 101           HA       ASP 101   8.456   2.465  -9.208
  687   1HB   ASP 101          2HB       ASP 101  10.527   1.295  -7.984
  688   2HB   ASP 101          1HB       ASP 101   9.962   2.288  -6.645
  689    H    GLU 102           H        GLU 102   9.474   5.345  -9.074
  690    HA   GLU 102           HA       GLU 102   8.630   6.424  -6.595
  691   1HB   GLU 102          2HB       GLU 102   9.566   7.427  -9.168
  692   2HB   GLU 102          1HB       GLU 102   8.345   8.461  -8.441
  693   1HG   GLU 102          2HG       GLU 102  10.651   7.510  -6.810
  694   2HG   GLU 102          1HG       GLU 102  10.852   8.854  -7.933
  695    H    ARG 103           H        ARG 103   6.861   8.073  -6.460
  696    HA   ARG 103           HA       ARG 103   4.657   8.602  -6.418
  697   1HB   ARG 103          2HB       ARG 103   5.080   7.759  -9.244
  698   2HB   ARG 103          1HB       ARG 103   3.424   7.970  -8.692
  699   1HG   ARG 103          2HG       ARG 103   3.937  10.044  -9.552
  700   2HG   ARG 103          1HG       ARG 103   4.256  10.256  -7.829
  701   1HD   ARG 103          2HD       ARG 103   6.584   9.265  -9.235
  702   2HD   ARG 103          1HD       ARG 103   6.001  10.781  -9.923
  703    HE   ARG 103           HE       ARG 103   7.134  10.367  -7.279
  704   1HH1  ARG 103          2HH1      ARG 103   5.387  12.513  -9.443
  705   2HH1  ARG 103          1HH1      ARG 103   5.753  13.946  -8.523
  706   1HH2  ARG 103          2HH2      ARG 103   7.578  12.248  -6.048
  707   2HH2  ARG 103          1HH2      ARG 103   6.966  13.790  -6.579
  708    H    LEU 104           H        LEU 104   4.628   6.832  -4.798
  709    HA   LEU 104           HA       LEU 104   2.944   4.592  -5.709
  710   1HB   LEU 104          2HB       LEU 104   5.349   4.550  -4.295
  711   2HB   LEU 104          1HB       LEU 104   4.122   4.254  -3.082
  712    HG   LEU 104           HG       LEU 104   5.281   2.290  -4.449
  713   1HD1  LEU 104          1HD1      LEU 104   3.913   1.568  -2.780
  714   2HD1  LEU 104          2HD1      LEU 104   2.566   2.587  -3.290
  715   3HD1  LEU 104          3HD1      LEU 104   2.934   1.104  -4.173
  716   1HD2  LEU 104          1HD2      LEU 104   3.616   1.532  -6.195
  717   2HD2  LEU 104          2HD2      LEU 104   2.991   3.180  -6.177
  718   3HD2  LEU 104          3HD2      LEU 104   4.662   2.877  -6.647
  719    H    ILE 105           H        ILE 105   3.456   6.964  -3.127
  720    HA   ILE 105           HA       ILE 105   1.000   6.175  -1.820
  721    HB   ILE 105           HB       ILE 105   3.078   8.250  -1.178
  722   1HG1  ILE 105          2HG1      ILE 105   2.014   5.909   0.410
  723   1HG2  ILE 105          1HG2      ILE 105   1.778   8.796   0.853
  724   2HG2  ILE 105          2HG2      ILE 105   0.968   9.297  -0.630
  725   3HG2  ILE 105          3HG2      ILE 105   0.429   7.846   0.219
  726   1HD1  ILE 105          1HD1      ILE 105   4.482   7.586   0.777
  727   2HD1  ILE 105          2HD1      ILE 105   3.076   7.529   1.839
  728   3HD1  ILE 105          3HD1      ILE 105   4.108   6.110   1.668
  729    H    THR 106           H        THR 106  -0.897   6.877  -2.333
  730    HA   THR 106           HA       THR 106  -1.234   9.657  -3.206
  731    HB   THR 106           HB       THR 106  -2.771   7.251  -4.232
  732    HG1  THR 106           1HG      THR 106  -1.197   7.344  -5.661
  733   1HG2  THR 106          1HG2      THR 106  -3.566  10.006  -4.000
  734   2HG2  THR 106          2HG2      THR 106  -4.487   8.627  -4.605
  735   3HG2  THR 106          3HG2      THR 106  -3.451   9.545  -5.699
  736    H    ARG 107           H        ARG 107  -1.900  10.475  -1.279
  737    HA   ARG 107           HA       ARG 107  -3.883   8.902   0.217
  738   1HB   ARG 107          2HB       ARG 107  -2.682   9.239   2.079
  739   2HB   ARG 107          1HB       ARG 107  -1.395   9.772   1.011
  740   1HG   ARG 107          2HG       ARG 107  -3.423  11.745   1.956
  741   2HG   ARG 107          1HG       ARG 107  -2.127  11.234   3.039
  742   1HD   ARG 107          2HD       ARG 107  -0.740  11.743   0.764
  743   2HD   ARG 107          1HD       ARG 107  -2.037  12.932   0.642
  744    HE   ARG 107           HE       ARG 107  -1.068  13.127   3.222
  745   1HH1  ARG 107          2HH1      ARG 107   0.212  13.499  -0.016
  746   2HH1  ARG 107          1HH1      ARG 107   1.417  14.661   0.448
  747   1HH2  ARG 107          2HH2      ARG 107   0.507  14.674   3.842
  748   2HH2  ARG 107          1HH2      ARG 107   1.565  15.356   2.635
  749    H    LEU 108           H        LEU 108  -5.520   9.978   1.404
  750    HA   LEU 108           HA       LEU 108  -5.982  12.782   0.831
  751   1HB   LEU 108          2HB       LEU 108  -7.306  10.799  -0.659
  752   2HB   LEU 108          1HB       LEU 108  -8.477  11.372   0.514
  753    HG   LEU 108           HG       LEU 108  -7.360  13.705  -0.485
  754   1HD1  LEU 108          1HD1      LEU 108  -8.105  12.832  -3.023
  755   2HD1  LEU 108          2HD1      LEU 108  -6.487  13.273  -2.478
  756   3HD1  LEU 108          3HD1      LEU 108  -7.011  11.591  -2.409
  757   1HD2  LEU 108          1HD2      LEU 108  -9.564  13.880  -1.678
  758   2HD2  LEU 108          2HD2      LEU 108  -9.896  12.227  -1.160
  759   3HD2  LEU 108          3HD2      LEU 108  -9.670  13.499   0.040
  760    H    GLU 109           H        GLU 109  -5.978  13.452   2.856
  761    HA   GLU 109           HA       GLU 109  -7.549  11.952   4.838
  762   1HB   GLU 109          2HB       GLU 109  -6.007  13.072   6.511
  763   2HB   GLU 109          1HB       GLU 109  -5.254  11.882   5.456
  764   1HG   GLU 109          2HG       GLU 109  -4.813  14.075   4.004
  765   2HG   GLU 109          1HG       GLU 109  -4.868  14.802   5.608
  766    H    ASN 110           H        ASN 110  -8.997  13.006   6.107
  767    HA   ASN 110           HA       ASN 110 -10.303  15.232   5.104
  768   1HB   ASN 110          2HB       ASN 110 -10.714  13.404   7.177
  769   2HB   ASN 110          1HB       ASN 110 -10.708  14.980   7.965
  770   1HD2  ASN 110          1HD2      ASN 110 -12.425  16.308   7.718
  771   2HD2  ASN 110          2HD2      ASN 110 -13.824  15.928   6.759
  772    H    THR 111           H        THR 111  -8.416  15.150   8.142
  773    HA   THR 111           HA       THR 111  -8.429  18.006   8.310
  774    HB   THR 111           HB       THR 111  -6.544  16.561  10.036
  775    HG1  THR 111           1HG      THR 111  -8.991  15.986  10.979
  776   1HG2  THR 111          1HG2      THR 111  -8.127  17.710  11.747
  777   2HG2  THR 111          2HG2      THR 111  -8.763  18.551  10.333
  778   3HG2  THR 111          3HG2      THR 111  -7.059  18.708  10.760
  779    H    GLN 112           H        GLN 112  -7.323  17.851   6.002
  780    HA   GLN 112           HA       GLN 112  -4.801  19.048   6.267
  781   1HB   GLN 112          2HB       GLN 112  -4.395  16.432   6.539
  782   2HB   GLN 112          1HB       GLN 112  -4.458  16.481   4.784
  783   1HG   GLN 112          2HG       GLN 112  -2.709  18.451   6.126
  784   2HG   GLN 112          1HG       GLN 112  -2.204  16.763   6.158
  785   1HE2  GLN 112          1HE2      GLN 112  -2.118  15.643   4.058
  786   2HE2  GLN 112          2HE2      GLN 112  -1.621  16.562   2.668
  787    H    PHE 113           H        PHE 113  -6.668  16.990   4.055
  788    HA   PHE 113           HA       PHE 113  -5.996  18.656   1.788
  789   1HB   PHE 113          2HB       PHE 113  -7.465  16.095   2.206
  790   2HB   PHE 113          1HB       PHE 113  -7.866  17.039   0.775
  791    HD1  PHE 113           1HD      PHE 113  -6.492  16.998  -1.112
  792    HD2  PHE 113           2HD      PHE 113  -5.062  15.417   2.570
  793    HE1  PHE 113           1HE      PHE 113  -4.537  16.063  -2.277
  794    HE2  PHE 113           2HE      PHE 113  -3.104  14.483   1.414
  795    HZ   PHE 113           HZ       PHE 113  -2.839  14.805  -1.014
  796    H    ASP 114           H        ASP 114  -7.756  19.500   0.384
  797    HA   ASP 114           HA       ASP 114  -9.502  21.173   1.902
  798   1HB   ASP 114          2HB       ASP 114  -8.458  21.868  -0.249
  799   2HB   ASP 114          1HB       ASP 114  -9.469  20.692  -1.087
  800    H    ALA 115           H        ALA 115  -9.972  18.440  -0.281
  801    HA   ALA 115           HA       ALA 115 -12.817  18.327   0.266
  802   1HB   ALA 115          1HB       ALA 115 -12.721  17.483  -1.797
  803   2HB   ALA 115          2HB       ALA 115 -10.990  17.174  -1.678
  804   3HB   ALA 115          3HB       ALA 115 -12.141  15.996  -1.049
  805    H    ALA 116           H        ALA 116 -13.818  16.354   1.072
  806    HA   ALA 116           HA       ALA 116 -12.342  15.316   3.362
  807   1HB   ALA 116          1HB       ALA 116 -14.899  16.142   3.124
  808   2HB   ALA 116          2HB       ALA 116 -15.101  14.405   2.883
  809   3HB   ALA 116          3HB       ALA 116 -14.345  15.008   4.355
  810    H    ASN 117           H        ASN 117 -13.023  12.905   3.867
  811    HA   ASN 117           HA       ASN 117 -13.126  11.243   1.499
  812   1HB   ASN 117          2HB       ASN 117 -10.636  11.835   2.241
  813   2HB   ASN 117          1HB       ASN 117 -10.931  10.528   3.385
  814   1HD2  ASN 117          1HD2      ASN 117  -9.022   9.878   1.859
  815   2HD2  ASN 117          2HD2      ASN 117  -9.477   8.874   0.522
  816    H    GLY 118           H        GLY 118 -13.085   8.845   2.227
  817   1HA   GLY 118          1HA       GLY 118 -13.913   7.170   3.622
  818   2HA   GLY 118          2HA       GLY 118 -14.142   8.371   4.888
  819    H    ILE 119           H        ILE 119 -15.864   9.997   4.431
  820    HA   ILE 119           HA       ILE 119 -18.139   8.769   3.009
  821    HB   ILE 119           HB       ILE 119 -18.513  10.888   5.111
  822   1HG1  ILE 119          2HG1      ILE 119 -17.226   8.964   6.103
  823   1HG2  ILE 119          1HG2      ILE 119 -20.403  10.478   3.706
  824   2HG2  ILE 119          2HG2      ILE 119 -20.269   8.733   3.943
  825   3HG2  ILE 119          3HG2      ILE 119 -20.740   9.772   5.289
  826   1HD1  ILE 119          1HD1      ILE 119 -18.946   7.349   4.649
  827   2HD1  ILE 119          2HD1      ILE 119 -17.808   6.841   5.897
  828   3HD1  ILE 119          3HD1      ILE 119 -19.483   7.192   6.319
  829    H    ASP 120           H        ASP 120 -16.541   9.883   1.400
  830    HA   ASP 120           HA       ASP 120 -16.783  12.744   1.230
  831   1HB   ASP 120          2HB       ASP 120 -14.744  12.356   0.365
  832   2HB   ASP 120          1HB       ASP 120 -15.102  10.657   0.094
  833    H    ASP 121           H        ASP 121 -18.102  13.895  -0.015
  834    HA   ASP 121           HA       ASP 121 -20.058  12.430  -1.640
  835   1HB   ASP 121          2HB       ASP 121 -21.071  13.834   0.017
  836   2HB   ASP 121          1HB       ASP 121 -20.077  15.209  -0.451
  837    H    GLU 122           H        GLU 122 -19.505  12.241  -3.693
  838    HA   GLU 122           HA       GLU 122 -18.898  14.629  -5.224
  839   1HB   GLU 122          2HB       GLU 122 -16.955  12.449  -4.731
  840   2HB   GLU 122          1HB       GLU 122 -17.118  12.952  -6.406
  841   1HG   GLU 122          2HG       GLU 122 -16.377  14.693  -4.066
  842   2HG   GLU 122          1HG       GLU 122 -15.315  14.148  -5.363
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -23.912   5.523   0.361
    2   2H    GLY   1          2H        GLY   1 -25.119   4.406  -0.046
    3   3H    GLY   1          3H        GLY   1 -25.444   6.072  -0.108
    4   1HA   GLY   1          2HA       GLY   1 -25.036   4.932  -2.304
    5   2HA   GLY   1          1HA       GLY   1 -24.133   6.406  -1.983
    6    H    SER   2           H        SER   2 -22.559   5.701  -3.517
    7    HA   SER   2           HA       SER   2 -20.993   3.355  -2.766
    8   1HB   SER   2          2HB       SER   2 -20.723   5.189  -5.160
    9   2HB   SER   2          1HB       SER   2 -19.838   3.683  -4.904
   10    HG   SER   2           HG       SER   2 -22.147   2.807  -4.680
   11    H    LEU   3           H        LEU   3 -18.983   3.429  -1.963
   12    HA   LEU   3           HA       LEU   3 -17.636   6.026  -1.710
   13   1HB   LEU   3          2HB       LEU   3 -19.028   5.139   0.374
   14   2HB   LEU   3          1HB       LEU   3 -17.597   4.157   0.616
   15    HG   LEU   3           HG       LEU   3 -16.222   6.192   0.735
   16   1HD1  LEU   3          1HD1      LEU   3 -18.657   7.414  -0.247
   17   2HD1  LEU   3          2HD1      LEU   3 -18.043   8.224   1.195
   18   3HD1  LEU   3          3HD1      LEU   3 -17.009   8.040  -0.221
   19   1HD2  LEU   3          1HD2      LEU   3 -16.864   5.409   2.826
   20   2HD2  LEU   3          2HD2      LEU   3 -17.329   7.109   2.858
   21   3HD2  LEU   3          3HD2      LEU   3 -18.550   5.866   2.587
   22    H    SER   4           H        SER   4 -15.314   5.618  -0.834
   23    HA   SER   4           HA       SER   4 -14.142   3.609  -2.515
   24   1HB   SER   4          2HB       SER   4 -12.930   5.569  -0.560
   25   2HB   SER   4          1HB       SER   4 -11.984   4.476  -1.570
   26    HG   SER   4           HG       SER   4 -12.769   6.831  -2.243
   27    H    TRP   5           H        TRP   5 -15.334   1.874  -1.411
   28    HA   TRP   5           HA       TRP   5 -14.621   1.095   1.232
   29   1HB   TRP   5          2HB       TRP   5 -16.212  -0.058  -1.007
   30   2HB   TRP   5          1HB       TRP   5 -15.671  -1.150   0.267
   31    HD1  TRP   5           HD       TRP   5 -17.924   1.869  -0.304
   32    HE1  TRP   5           1HE      TRP   5 -19.592   2.034   1.670
   33    HE3  TRP   5           3HE      TRP   5 -15.937  -1.725   2.644
   34    HZ2  TRP   5           2HZ      TRP   5 -19.962   0.763   4.196
   35    HZ3  TRP   5           3HZ      TRP   5 -16.953  -2.212   4.823
   36    HH2  TRP   5           HH       TRP   5 -18.937  -0.987   5.589
   37    H    LYS   6           H        LYS   6 -14.335  -0.992  -1.592
   38    HA   LYS   6           HA       LYS   6 -12.738  -2.486  -2.234
   39   1HB   LYS   6          2HB       LYS   6 -11.238  -0.046  -1.434
   40   2HB   LYS   6          1HB       LYS   6 -10.300  -1.508  -1.695
   41   1HG   LYS   6          2HG       LYS   6 -10.615   0.163  -3.629
   42   2HG   LYS   6          1HG       LYS   6 -10.775  -1.565  -3.957
   43   1HD   LYS   6          2HD       LYS   6 -12.615  -0.714  -5.055
   44   2HD   LYS   6          1HD       LYS   6 -13.311  -1.119  -3.483
   45   1HE   LYS   6          2HE       LYS   6 -14.082   0.991  -3.530
   46   2HE   LYS   6          1HE       LYS   6 -12.442   1.426  -3.040
   47   1HZ   LYS   6          1HZ       LYS   6 -12.614   1.127  -5.864
   48   2HZ   LYS   6          2HZ       LYS   6 -12.131   2.477  -4.955
   49   3HZ   LYS   6          3HZ       LYS   6 -13.771   2.242  -5.318
   50    H    ARG   7           H        ARG   7 -10.094  -2.157  -0.514
   51    HA   ARG   7           HA       ARG   7 -10.786  -2.975   2.078
   52   1HB   ARG   7          2HB       ARG   7  -9.559  -5.246   1.912
   53   2HB   ARG   7          1HB       ARG   7 -11.237  -5.162   1.398
   54   1HG   ARG   7          2HG       ARG   7 -10.264  -6.403  -0.267
   55   2HG   ARG   7          1HG       ARG   7 -10.252  -4.782  -0.951
   56   1HD   ARG   7          2HD       ARG   7  -8.133  -6.128  -1.234
   57   2HD   ARG   7          1HD       ARG   7  -7.949  -4.515  -0.549
   58    HE   ARG   7           HE       ARG   7  -7.580  -5.515   1.595
   59   1HH1  ARG   7          2HH1      ARG   7  -7.673  -7.781  -1.078
   60   2HH1  ARG   7          1HH1      ARG   7  -6.750  -8.999  -0.241
   61   1HH2  ARG   7          2HH2      ARG   7  -6.370  -7.095   2.688
   62   2HH2  ARG   7          1HH2      ARG   7  -6.039  -8.620   1.923
   63    H    CYS   8           H        CYS   8  -8.985  -3.140   3.430
   64    HA   CYS   8           HA       CYS   8  -6.664  -1.711   2.545
   65   1HB   CYS   8          2HB       CYS   8  -7.568  -1.465   4.819
   66   2HB   CYS   8          1HB       CYS   8  -7.267  -3.175   5.116
   67    H    ALA   9           H        ALA   9  -4.757  -2.544   1.939
   68    HA   ALA   9           HA       ALA   9  -4.534  -5.452   1.730
   69   1HB   ALA   9          1HB       ALA   9  -2.390  -4.763   0.453
   70   2HB   ALA   9          2HB       ALA   9  -3.960  -4.494  -0.307
   71   3HB   ALA   9          3HB       ALA   9  -3.106  -3.152   0.454
   72    H    GLY  10           H        GLY  10  -3.930  -3.207   3.990
   73   1HA   GLY  10          1HA       GLY  10  -1.290  -4.185   4.775
   74   2HA   GLY  10          2HA       GLY  10  -2.153  -2.831   5.488
   75    H    CYS  11           H        CYS  11  -4.465  -3.741   6.354
   76    HA   CYS  11           HA       CYS  11  -3.652  -5.843   8.228
   77   1HB   CYS  11          2HB       CYS  11  -5.437  -5.013   9.705
   78   2HB   CYS  11          1HB       CYS  11  -4.259  -3.767   9.330
   79    H    GLY  12           H        GLY  12  -5.904  -5.048   5.759
   80   1HA   GLY  12          1HA       GLY  12  -7.169  -6.601   4.530
   81   2HA   GLY  12          2HA       GLY  12  -6.937  -7.772   5.822
   82    H    GLY  13           H        GLY  13  -9.099  -5.595   4.425
   83   1HA   GLY  13          1HA       GLY  13 -11.344  -6.223   5.722
   84   2HA   GLY  13          2HA       GLY  13 -10.592  -5.077   6.821
   85    H    LYS  14           H        LYS  14 -13.015  -5.024   5.116
   86    HA   LYS  14           HA       LYS  14 -12.771  -3.137   3.050
   87   1HB   LYS  14          2HB       LYS  14 -14.938  -4.281   4.674
   88   2HB   LYS  14          1HB       LYS  14 -15.268  -2.679   4.032
   89   1HG   LYS  14          2HG       LYS  14 -15.900  -3.676   2.154
   90   2HG   LYS  14          1HG       LYS  14 -14.201  -4.071   1.882
   91   1HD   LYS  14          2HD       LYS  14 -15.676  -5.866   3.698
   92   2HD   LYS  14          1HD       LYS  14 -16.159  -5.913   2.001
   93   1HE   LYS  14          2HE       LYS  14 -14.180  -6.800   1.323
   94   2HE   LYS  14          1HE       LYS  14 -13.257  -5.962   2.569
   95   1HZ   LYS  14          1HZ       LYS  14 -13.387  -8.413   2.850
   96   2HZ   LYS  14          2HZ       LYS  14 -15.052  -8.259   3.125
   97   3HZ   LYS  14          3HZ       LYS  14 -13.946  -7.536   4.189
   98    H    ILE  15           H        ILE  15 -12.228  -1.047   3.130
   99    HA   ILE  15           HA       ILE  15 -11.966   0.177   5.735
  100    HB   ILE  15           HB       ILE  15 -11.267   1.649   3.235
  101   1HG1  ILE  15          2HG1      ILE  15  -9.682  -0.656   4.394
  102   1HG2  ILE  15          1HG2      ILE  15  -9.800   2.787   4.573
  103   2HG2  ILE  15          2HG2      ILE  15 -11.033   2.359   5.761
  104   3HG2  ILE  15          3HG2      ILE  15  -9.547   1.415   5.652
  105   1HD1  ILE  15          1HD1      ILE  15  -7.850   0.375   3.703
  106   2HD1  ILE  15          2HD1      ILE  15  -8.455   0.166   2.061
  107   3HD1  ILE  15          3HD1      ILE  15  -8.778   1.662   2.935
  108    H    ALA  16           H        ALA  16 -12.611   2.167   2.957
  109    HA   ALA  16           HA       ALA  16 -14.087   3.852   2.592
  110   1HB   ALA  16          1HB       ALA  16 -15.811   2.227   2.352
  111   2HB   ALA  16          2HB       ALA  16 -15.943   2.020   4.098
  112   3HB   ALA  16          3HB       ALA  16 -16.455   3.532   3.349
  113    H    ASP  17           H        ASP  17 -12.317   3.840   4.861
  114    HA   ASP  17           HA       ASP  17 -13.661   5.080   7.086
  115   1HB   ASP  17          2HB       ASP  17 -10.935   4.176   6.435
  116   2HB   ASP  17          1HB       ASP  17 -10.997   5.627   7.429
  117    H    ARG  18           H        ARG  18 -12.898   7.233   7.878
  118    HA   ARG  18           HA       ARG  18 -13.109   9.216   5.809
  119   1HB   ARG  18          2HB       ARG  18 -14.005   9.576   8.094
  120   2HB   ARG  18          1HB       ARG  18 -12.365   9.525   8.728
  121   1HG   ARG  18          2HG       ARG  18 -11.858  11.490   7.224
  122   2HG   ARG  18          1HG       ARG  18 -13.596  11.602   6.942
  123   1HD   ARG  18          2HD       ARG  18 -13.151  11.372   9.739
  124   2HD   ARG  18          1HD       ARG  18 -12.087  12.630   9.110
  125    HE   ARG  18           HE       ARG  18 -14.761  12.879   8.133
  126   1HH1  ARG  18          2HH1      ARG  18 -12.675  13.534  10.867
  127   2HH1  ARG  18          1HH1      ARG  18 -13.646  14.855  11.451
  128   1HH2  ARG  18          2HH2      ARG  18 -16.020  14.663   8.880
  129   2HH2  ARG  18          1HH2      ARG  18 -15.520  15.517  10.309
  130    H    PHE  19           H        PHE  19 -10.617   7.657   7.643
  131    HA   PHE  19           HA       PHE  19  -8.559   9.186   6.189
  132   1HB   PHE  19          2HB       PHE  19  -8.815   8.294   8.995
  133   2HB   PHE  19          1HB       PHE  19  -7.216   8.109   8.278
  134    HD1  PHE  19           1HD      PHE  19  -9.860  10.740   8.089
  135    HD2  PHE  19           2HD      PHE  19  -5.805   9.774   8.935
  136    HE1  PHE  19           1HE      PHE  19  -9.394  13.111   8.534
  137    HE2  PHE  19           2HE      PHE  19  -5.329  12.146   9.378
  138    HZ   PHE  19           HZ       PHE  19  -7.121  13.818   9.176
  139    H    LEU  20           H        LEU  20  -8.276   7.805   4.451
  140    HA   LEU  20           HA       LEU  20  -7.056   5.242   5.139
  141   1HB   LEU  20          2HB       LEU  20  -8.101   4.468   2.823
  142   2HB   LEU  20          1HB       LEU  20  -8.917   4.223   4.349
  143    HG   LEU  20           HG       LEU  20 -10.442   6.024   3.917
  144   1HD1  LEU  20          1HD1      LEU  20  -9.412   6.643   1.221
  145   2HD1  LEU  20          2HD1      LEU  20 -10.180   7.691   2.415
  146   3HD1  LEU  20          3HD1      LEU  20  -8.476   7.268   2.579
  147   1HD2  LEU  20          1HD2      LEU  20 -10.119   3.798   2.129
  148   2HD2  LEU  20          2HD2      LEU  20 -11.600   4.539   2.735
  149   3HD2  LEU  20          3HD2      LEU  20 -10.835   5.163   1.272
  150    H    LEU  21           H        LEU  21  -6.054   4.308   3.021
  151    HA   LEU  21           HA       LEU  21  -4.753   6.469   1.501
  152   1HB   LEU  21          2HB       LEU  21  -3.443   5.025   3.432
  153   2HB   LEU  21          1HB       LEU  21  -3.138   4.064   2.001
  154    HG   LEU  21           HG       LEU  21  -2.677   6.916   1.589
  155   1HD1  LEU  21          1HD1      LEU  21  -1.678   7.292   3.553
  156   2HD1  LEU  21          2HD1      LEU  21  -1.562   5.574   3.935
  157   3HD1  LEU  21          3HD1      LEU  21  -0.362   6.327   2.883
  158   1HD2  LEU  21          1HD2      LEU  21  -0.372   5.464   1.116
  159   2HD2  LEU  21          2HD2      LEU  21  -1.673   4.328   0.763
  160   3HD2  LEU  21          3HD2      LEU  21  -1.611   5.882  -0.069
  161    H    TYR  22           H        TYR  22  -3.836   5.664  -0.531
  162    HA   TYR  22           HA       TYR  22  -4.918   3.111  -1.441
  163   1HB   TYR  22          2HB       TYR  22  -4.955   5.323  -3.439
  164   2HB   TYR  22          1HB       TYR  22  -5.973   3.898  -3.327
  165    HD1  TYR  22           1HD      TYR  22  -8.011   3.923  -2.045
  166    HD2  TYR  22           2HD      TYR  22  -5.514   7.356  -2.174
  167    HE1  TYR  22           1HE      TYR  22  -9.848   5.277  -1.143
  168    HE2  TYR  22           2HE      TYR  22  -7.337   8.725  -1.265
  169    HH   TYR  22           HH       TYR  22  -9.355   8.533  -0.048
  170    H    ALA  23           H        ALA  23  -3.451   1.976  -2.626
  171    HA   ALA  23           HA       ALA  23  -1.153   3.376  -3.721
  172   1HB   ALA  23          1HB       ALA  23  -1.056   1.634  -1.318
  173   2HB   ALA  23          2HB       ALA  23   0.280   1.545  -2.465
  174   3HB   ALA  23          3HB       ALA  23  -0.126   3.082  -1.701
  175    H    MET  24           H        MET  24  -1.183   2.689  -5.720
  176    HA   MET  24           HA       MET  24  -1.151   1.356  -7.552
  177   1HB   MET  24          2HB       MET  24   0.153  -0.259  -5.467
  178   2HB   MET  24          1HB       MET  24  -0.491  -1.191  -6.811
  179   1HG   MET  24          2HG       MET  24   0.846   0.971  -7.979
  180   2HG   MET  24          1HG       MET  24   1.888   0.420  -6.666
  181   1HE   MET  24          1HE       MET  24   0.229  -0.152  -9.929
  182   2HE   MET  24          2HE       MET  24   1.931   0.028 -10.355
  183   3HE   MET  24          3HE       MET  24   1.102  -1.498 -10.661
  184    H    ASP  25           H        ASP  25  -3.565   1.798  -7.013
  185    HA   ASP  25           HA       ASP  25  -5.687   1.136  -7.401
  186   1HB   ASP  25          2HB       ASP  25  -4.158  -1.132  -8.389
  187   2HB   ASP  25          1HB       ASP  25  -5.761  -1.589  -7.820
  188    H    SER  26           H        SER  26  -3.870  -0.852  -5.152
  189    HA   SER  26           HA       SER  26  -6.308  -1.711  -3.821
  190   1HB   SER  26          2HB       SER  26  -3.613  -2.188  -2.628
  191   2HB   SER  26          1HB       SER  26  -5.014  -3.259  -2.711
  192    HG   SER  26           HG       SER  26  -4.094  -2.666  -5.185
  193    H    TYR  27           H        TYR  27  -6.848  -1.164  -1.674
  194    HA   TYR  27           HA       TYR  27  -5.892   1.499  -0.956
  195   1HB   TYR  27          2HB       TYR  27  -8.328  -0.055  -0.081
  196   2HB   TYR  27          1HB       TYR  27  -7.878   1.508   0.585
  197    HD1  TYR  27           1HD      TYR  27 -10.378   1.767  -0.254
  198    HD2  TYR  27           2HD      TYR  27  -6.977   1.541  -2.819
  199    HE1  TYR  27           1HE      TYR  27 -11.668   2.841  -2.043
  200    HE2  TYR  27           2HE      TYR  27  -8.271   2.608  -4.619
  201    HH   TYR  27           HH       TYR  27 -10.496   4.301  -4.551
  202    H    TRP  28           H        TRP  28  -5.656   1.987   1.346
  203    HA   TRP  28           HA       TRP  28  -4.735  -0.231   3.016
  204   1HB   TRP  28          2HB       TRP  28  -3.025   2.134   2.198
  205   2HB   TRP  28          1HB       TRP  28  -2.608   1.004   3.475
  206    HD1  TRP  28           HD       TRP  28  -3.071   1.065  -0.372
  207    HE1  TRP  28           1HE      TRP  28  -1.540  -0.744  -1.377
  208    HE3  TRP  28           3HE      TRP  28  -1.334  -1.027   3.956
  209    HZ2  TRP  28           2HZ      TRP  28   0.190  -2.768  -0.438
  210    HZ3  TRP  28           3HZ      TRP  28   0.233  -2.903   3.809
  211    HH2  TRP  28           HH       TRP  28   0.973  -3.758   1.654
  212    H    HIS  29           H        HIS  29  -3.819   0.857   5.104
  213    HA   HIS  29           HA       HIS  29  -5.473   3.181   5.836
  214   1HB   HIS  29          2HB       HIS  29  -4.280   0.991   7.528
  215   2HB   HIS  29          1HB       HIS  29  -4.644   2.569   8.220
  216    HD2  HIS  29           2HD      HIS  29  -7.474   3.291   7.881
  217    HE1  HIS  29           1HE      HIS  29  -8.585  -0.800   7.898
  218    HE2  HIS  29           2HE      HIS  29  -9.408   1.589   8.231
  219    H    SER  30           H        SER  30  -4.177   4.824   7.160
  220    HA   SER  30           HA       SER  30  -1.740   5.313   5.756
  221   1HB   SER  30          2HB       SER  30  -1.612   7.169   7.672
  222   2HB   SER  30          1HB       SER  30  -2.676   7.328   6.280
  223    HG   SER  30           HG       SER  30  -3.517   7.589   8.591
  224    H    ARG  31           H        ARG  31  -2.507   3.598   8.611
  225    HA   ARG  31           HA       ARG  31   0.266   3.666   9.551
  226   1HB   ARG  31          2HB       ARG  31  -1.717   3.812  11.151
  227   2HB   ARG  31          1HB       ARG  31  -2.006   2.115  10.789
  228   1HG   ARG  31          2HG       ARG  31  -0.767   2.189  12.803
  229   2HG   ARG  31          1HG       ARG  31   0.347   1.651  11.542
  230   1HD   ARG  31          2HD       ARG  31   0.638   4.378  11.475
  231   2HD   ARG  31          1HD       ARG  31   0.395   4.063  13.194
  232    HE   ARG  31           HE       ARG  31   2.325   2.340  11.898
  233   1HH1  ARG  31          2HH1      ARG  31   1.845   5.355  13.640
  234   2HH1  ARG  31          1HH1      ARG  31   3.496   5.431  14.200
  235   1HH2  ARG  31          2HH2      ARG  31   4.471   2.439  12.649
  236   2HH2  ARG  31          1HH2      ARG  31   4.972   3.753  13.672
  237    H    CYS  32           H        CYS  32  -2.021   1.641   7.881
  238    HA   CYS  32           HA       CYS  32  -0.409  -0.741   8.040
  239   1HB   CYS  32          2HB       CYS  32  -2.734  -0.108   6.208
  240   2HB   CYS  32          1HB       CYS  32  -2.046  -1.702   6.507
  241    H    LEU  33           H        LEU  33  -0.470   2.092   6.242
  242    HA   LEU  33           HA       LEU  33   1.100   1.189   3.975
  243   1HB   LEU  33          2HB       LEU  33  -0.371   3.471   4.608
  244   2HB   LEU  33          1HB       LEU  33   1.287   4.006   4.749
  245    HG   LEU  33           HG       LEU  33   0.044   4.338   2.516
  246   1HD1  LEU  33          1HD1      LEU  33   2.284   3.389   1.366
  247   2HD1  LEU  33          2HD1      LEU  33   2.154   4.941   2.202
  248   3HD1  LEU  33          3HD1      LEU  33   2.797   3.534   3.051
  249   1HD2  LEU  33          1HD2      LEU  33   0.260   2.534   0.925
  250   2HD2  LEU  33          2HD2      LEU  33   0.856   1.465   2.196
  251   3HD2  LEU  33          3HD2      LEU  33  -0.800   2.072   2.262
  252    H    LYS  34           H        LYS  34   2.576  -0.010   5.368
  253    HA   LYS  34           HA       LYS  34   4.404   1.686   6.928
  254   1HB   LYS  34          2HB       LYS  34   4.186   0.310   8.725
  255   2HB   LYS  34          1HB       LYS  34   2.634  -0.027   7.979
  256   1HG   LYS  34          2HG       LYS  34   4.957  -1.725   7.225
  257   2HG   LYS  34          1HG       LYS  34   4.220  -1.956   8.810
  258   1HD   LYS  34          2HD       LYS  34   2.691  -3.238   7.829
  259   2HD   LYS  34          1HD       LYS  34   2.084  -1.796   7.012
  260   1HE   LYS  34          2HE       LYS  34   4.289  -2.516   5.512
  261   2HE   LYS  34          1HE       LYS  34   3.562  -4.063   5.949
  262   1HZ   LYS  34          1HZ       LYS  34   1.771  -3.679   4.679
  263   2HZ   LYS  34          2HZ       LYS  34   2.786  -2.590   3.857
  264   3HZ   LYS  34          3HZ       LYS  34   1.708  -2.026   5.041
  265    H    CYS  35           H        CYS  35   6.487   0.767   7.408
  266    HA   CYS  35           HA       CYS  35   7.839  -0.232   5.085
  267   1HB   CYS  35          2HB       CYS  35   8.516   1.264   7.285
  268   2HB   CYS  35          1HB       CYS  35   9.212  -0.297   7.684
  269    H    SER  36           H        SER  36   9.342  -2.092   5.289
  270    HA   SER  36           HA       SER  36   8.214  -4.257   6.949
  271   1HB   SER  36          2HB       SER  36  10.306  -4.685   4.825
  272   2HB   SER  36          1HB       SER  36   9.154  -5.842   5.492
  273    HG   SER  36           HG       SER  36   8.098  -3.614   4.209
  274    H    SER  37           H        SER  37  10.210  -1.824   7.193
  275    HA   SER  37           HA       SER  37  12.298  -3.323   8.624
  276   1HB   SER  37          2HB       SER  37  13.034  -0.623   7.770
  277   2HB   SER  37          1HB       SER  37  13.898  -2.147   7.559
  278    HG   SER  37           HG       SER  37  11.941  -0.957   5.908
  279    H    CYS  38           H        CYS  38  11.490   0.156   8.549
  280    HA   CYS  38           HA       CYS  38  11.750   0.275  11.403
  281   1HB   CYS  38          2HB       CYS  38  11.441   2.656  11.178
  282   2HB   CYS  38          1HB       CYS  38  12.527   2.107   9.910
  283    H    GLN  39           H        GLN  39   9.163   0.009   9.149
  284    HA   GLN  39           HA       GLN  39   6.913  -0.162   9.326
  285   1HB   GLN  39          2HB       GLN  39   7.662  -1.086  12.101
  286   2HB   GLN  39          1HB       GLN  39   6.034  -1.195  11.435
  287   1HG   GLN  39          2HG       GLN  39   6.633  -2.820   9.902
  288   2HG   GLN  39          1HG       GLN  39   8.344  -2.405   9.977
  289   1HE2  GLN  39          1HE2      GLN  39   6.493  -4.847  10.534
  290   2HE2  GLN  39          2HE2      GLN  39   7.183  -5.507  11.984
  291    H    ALA  40           H        ALA  40   7.926   2.414   9.709
  292    HA   ALA  40           HA       ALA  40   6.469   3.601  11.908
  293   1HB   ALA  40          1HB       ALA  40   7.409   5.539  10.029
  294   2HB   ALA  40          2HB       ALA  40   7.972   5.226  11.670
  295   3HB   ALA  40          3HB       ALA  40   8.679   4.348  10.312
  296    H    GLN  41           H        GLN  41   5.780   5.978  10.376
  297    HA   GLN  41           HA       GLN  41   3.331   4.964   9.135
  298   1HB   GLN  41          2HB       GLN  41   3.245   6.748  10.936
  299   2HB   GLN  41          1HB       GLN  41   3.991   7.837   9.773
  300   1HG   GLN  41          2HG       GLN  41   2.025   8.280   8.877
  301   2HG   GLN  41          1HG       GLN  41   1.763   6.571   8.539
  302   1HE2  GLN  41          1HE2      GLN  41  -0.125   5.954   9.254
  303   2HE2  GLN  41          2HE2      GLN  41  -0.879   6.439  10.739
  304    H    LEU  42           H        LEU  42   4.236   4.269   7.198
  305    HA   LEU  42           HA       LEU  42   5.806   6.055   5.583
  306   1HB   LEU  42          2HB       LEU  42   4.957   3.252   5.491
  307   2HB   LEU  42          1HB       LEU  42   5.012   4.019   3.915
  308    HG   LEU  42           HG       LEU  42   7.354   4.606   4.252
  309   1HD1  LEU  42          1HD1      LEU  42   8.601   4.014   6.163
  310   2HD1  LEU  42          2HD1      LEU  42   7.134   4.780   6.769
  311   3HD1  LEU  42          3HD1      LEU  42   7.291   3.024   6.806
  312   1HD2  LEU  42          1HD2      LEU  42   6.389   2.166   3.632
  313   2HD2  LEU  42          2HD2      LEU  42   8.099   2.593   3.592
  314   3HD2  LEU  42          3HD2      LEU  42   7.431   1.765   4.998
  315    H    GLY  43           H        GLY  43   2.580   5.811   6.252
  316   1HA   GLY  43          1HA       GLY  43   1.780   6.867   3.624
  317   2HA   GLY  43          2HA       GLY  43   0.684   6.166   4.807
  318    H    ASP  44           H        ASP  44   3.246   8.488   5.400
  319    HA   ASP  44           HA       ASP  44   1.405  10.710   5.610
  320   1HB   ASP  44          2HB       ASP  44   1.982   9.206   7.921
  321   2HB   ASP  44          1HB       ASP  44   2.972  10.657   8.040
  322    H    ILE  45           H        ILE  45   3.321  10.371   3.807
  323    HA   ILE  45           HA       ILE  45   5.519  12.141   4.672
  324    HB   ILE  45           HB       ILE  45   6.981  10.751   3.105
  325   1HG1  ILE  45          2HG1      ILE  45   5.668   8.257   3.528
  326   1HG2  ILE  45          1HG2      ILE  45   6.013   9.361   5.595
  327   2HG2  ILE  45          2HG2      ILE  45   7.601   9.220   4.839
  328   3HG2  ILE  45          3HG2      ILE  45   7.112  10.741   5.587
  329   1HD1  ILE  45          1HD1      ILE  45   6.681   9.812   1.268
  330   2HD1  ILE  45          2HD1      ILE  45   6.853   8.098   1.647
  331   3HD1  ILE  45          3HD1      ILE  45   5.379   8.689   0.880
  332    H    GLY  46           H        GLY  46   2.956  12.086   2.796
  333   1HA   GLY  46          1HA       GLY  46   2.605  13.738   1.051
  334   2HA   GLY  46          2HA       GLY  46   4.278  13.490   0.558
  335    H    THR  47           H        THR  47   4.424  12.402  -1.307
  336    HA   THR  47           HA       THR  47   3.029   9.875  -1.424
  337    HB   THR  47           HB       THR  47   1.387  11.036  -2.642
  338    HG1  THR  47           1HG      THR  47   1.960  10.388  -4.947
  339   1HG2  THR  47          1HG2      THR  47   2.141  13.151  -3.133
  340   2HG2  THR  47          2HG2      THR  47   2.198  12.410  -4.732
  341   3HG2  THR  47          3HG2      THR  47   3.674  12.572  -3.783
  342    H    SER  48           H        SER  48   4.866   8.775  -1.323
  343    HA   SER  48           HA       SER  48   6.165   8.286  -3.751
  344   1HB   SER  48          2HB       SER  48   8.503   8.707  -2.269
  345   2HB   SER  48          1HB       SER  48   7.952   9.652  -3.649
  346    HG   SER  48           HG       SER  48   6.634  10.493  -1.506
  347    H    SER  49           H        SER  49   6.128   6.096  -3.642
  348    HA   SER  49           HA       SER  49   6.768   4.884  -1.039
  349   1HB   SER  49          2HB       SER  49   5.710   2.804  -2.277
  350   2HB   SER  49          1HB       SER  49   4.676   4.042  -1.555
  351    HG   SER  49           HG       SER  49   3.873   4.232  -3.482
  352    H    TYR  50           H        TYR  50   7.702   2.485  -1.516
  353    HA   TYR  50           HA       TYR  50   9.640   2.718  -3.703
  354   1HB   TYR  50          2HB       TYR  50  10.241   2.468  -0.812
  355   2HB   TYR  50          1HB       TYR  50  11.178   1.438  -1.891
  356    HD1  TYR  50           1HD      TYR  50  11.531   4.259  -0.144
  357    HD2  TYR  50           2HD      TYR  50  11.697   3.035  -4.212
  358    HE1  TYR  50           1HE      TYR  50  13.018   6.146  -0.645
  359    HE2  TYR  50           2HE      TYR  50  13.191   4.919  -4.721
  360    HH   TYR  50           HH       TYR  50  14.657   6.442  -3.683
  361    H    THR  51           H        THR  51   8.777   1.203  -4.967
  362    HA   THR  51           HA       THR  51   8.007  -1.370  -3.878
  363    HB   THR  51           HB       THR  51   8.114  -1.180  -6.790
  364    HG1  THR  51           1HG      THR  51   6.129   0.419  -6.440
  365   1HG2  THR  51          1HG2      THR  51   5.455  -1.258  -5.767
  366   2HG2  THR  51          2HG2      THR  51   6.472  -2.309  -4.776
  367   3HG2  THR  51          3HG2      THR  51   6.386  -2.552  -6.522
  368    H    LYS  52           H        LYS  52   9.790  -2.587  -3.329
  369    HA   LYS  52           HA       LYS  52  11.567  -3.366  -5.508
  370   1HB   LYS  52          2HB       LYS  52  12.488  -1.360  -4.091
  371   2HB   LYS  52          1HB       LYS  52  12.834  -2.606  -2.899
  372   1HG   LYS  52          2HG       LYS  52  14.818  -2.480  -4.049
  373   2HG   LYS  52          1HG       LYS  52  14.008  -3.812  -4.876
  374   1HD   LYS  52          2HD       LYS  52  13.483  -2.488  -6.732
  375   2HD   LYS  52          1HD       LYS  52  13.759  -0.984  -5.850
  376   1HE   LYS  52          2HE       LYS  52  16.191  -1.801  -5.653
  377   2HE   LYS  52          1HE       LYS  52  15.766  -2.930  -6.937
  378   1HZ   LYS  52          1HZ       LYS  52  16.771  -0.693  -7.593
  379   2HZ   LYS  52          2HZ       LYS  52  15.253  -0.032  -7.222
  380   3HZ   LYS  52          3HZ       LYS  52  15.389  -1.210  -8.433
  381    H    SER  53           H        SER  53  11.890  -5.485  -5.485
  382    HA   SER  53           HA       SER  53  12.039  -7.655  -4.831
  383   1HB   SER  53          2HB       SER  53  12.865  -6.263  -2.284
  384   2HB   SER  53          1HB       SER  53  12.963  -8.013  -2.498
  385    HG   SER  53           HG       SER  53  14.901  -7.407  -3.203
  386    H    GLY  54           H        GLY  54   9.469  -5.992  -4.065
  387   1HA   GLY  54          1HA       GLY  54   7.404  -6.574  -3.173
  388   2HA   GLY  54          2HA       GLY  54   8.046  -8.184  -2.850
  389    H    MET  55           H        MET  55   9.752  -5.394  -1.820
  390    HA   MET  55           HA       MET  55   8.981  -5.889   0.974
  391   1HB   MET  55          2HB       MET  55  11.381  -6.473   0.161
  392   2HB   MET  55          1HB       MET  55  11.622  -4.732   0.111
  393   1HG   MET  55          2HG       MET  55  12.037  -4.693   2.276
  394   2HG   MET  55          1HG       MET  55  10.469  -5.420   2.619
  395   1HE   MET  55          1HE       MET  55  12.770  -7.414   0.311
  396   2HE   MET  55          2HE       MET  55  14.034  -6.520   1.158
  397   3HE   MET  55          3HE       MET  55  13.873  -8.259   1.400
  398    H    ILE  56           H        ILE  56   8.484  -4.116   2.184
  399    HA   ILE  56           HA       ILE  56   8.087  -1.629   0.696
  400    HB   ILE  56           HB       ILE  56   7.250  -1.596   3.495
  401   1HG1  ILE  56          2HG1      ILE  56   6.831  -4.020   2.753
  402   1HG2  ILE  56          1HG2      ILE  56   6.385   0.162   2.385
  403   2HG2  ILE  56          2HG2      ILE  56   6.301  -0.693   0.846
  404   3HG2  ILE  56          3HG2      ILE  56   5.069  -0.972   2.082
  405   1HD1  ILE  56          1HD1      ILE  56   5.357  -4.576   1.177
  406   2HD1  ILE  56          2HD1      ILE  56   4.313  -3.190   1.510
  407   3HD1  ILE  56          3HD1      ILE  56   5.757  -2.992   0.513
  408    H    LEU  57           H        LEU  57   9.403   0.031   0.904
  409    HA   LEU  57           HA       LEU  57  10.937   0.279   3.409
  410   1HB   LEU  57          2HB       LEU  57  12.183   0.846   0.734
  411   2HB   LEU  57          1HB       LEU  57  12.973   0.704   2.292
  412    HG   LEU  57           HG       LEU  57  11.555  -1.706   1.361
  413   1HD1  LEU  57          1HD1      LEU  57  14.159  -0.899   0.093
  414   2HD1  LEU  57          2HD1      LEU  57  13.213  -2.356  -0.216
  415   3HD1  LEU  57          3HD1      LEU  57  12.592  -0.781  -0.707
  416   1HD2  LEU  57          1HD2      LEU  57  13.724  -0.944   3.118
  417   2HD2  LEU  57          2HD2      LEU  57  12.738  -2.406   3.107
  418   3HD2  LEU  57          3HD2      LEU  57  14.161  -2.295   2.071
  419    H    CYS  58           H        CYS  58  11.606   2.360   3.953
  420    HA   CYS  58           HA       CYS  58  10.107   4.527   2.699
  421   1HB   CYS  58          2HB       CYS  58  11.040   5.876   4.614
  422   2HB   CYS  58          1HB       CYS  58   9.985   4.553   5.099
  423    H    ARG  59           H        ARG  59  11.743   6.664   2.866
  424    HA   ARG  59           HA       ARG  59  13.613   6.236   0.777
  425   1HB   ARG  59          2HB       ARG  59  12.609   8.427   1.121
  426   2HB   ARG  59          1HB       ARG  59  13.346   8.547   2.713
  427   1HG   ARG  59          2HG       ARG  59  14.592   9.895   1.172
  428   2HG   ARG  59          1HG       ARG  59  15.575   8.506   1.636
  429   1HD   ARG  59          2HD       ARG  59  14.977   7.378  -0.449
  430   2HD   ARG  59          1HD       ARG  59  13.977   8.754  -0.910
  431    HE   ARG  59           HE       ARG  59  16.862   9.111  -0.444
  432   1HH1  ARG  59          2HH1      ARG  59  14.067   9.287  -2.546
  433   2HH1  ARG  59          1HH1      ARG  59  14.918  10.096  -3.830
  434   1HH2  ARG  59          2HH2      ARG  59  17.993  10.176  -2.147
  435   2HH2  ARG  59          1HH2      ARG  59  17.141  10.581  -3.612
  436    H    ASN  60           H        ASN  60  13.959   6.685   4.268
  437    HA   ASN  60           HA       ASN  60  16.777   6.478   4.352
  438   1HB   ASN  60          2HB       ASN  60  16.031   7.370   6.315
  439   2HB   ASN  60          1HB       ASN  60  14.550   6.419   6.306
  440   1HD2  ASN  60          1HD2      ASN  60  14.414   4.746   7.637
  441   2HD2  ASN  60          2HD2      ASN  60  15.731   4.049   8.514
  442    H    ASP  61           H        ASP  61  14.206   4.064   4.863
  443    HA   ASP  61           HA       ASP  61  16.084   2.014   5.465
  444   1HB   ASP  61          2HB       ASP  61  13.128   2.132   5.126
  445   2HB   ASP  61          1HB       ASP  61  13.910   0.555   5.041
  446    H    TYR  62           H        TYR  62  14.828   3.235   2.518
  447    HA   TYR  62           HA       TYR  62  15.298   0.942   0.896
  448   1HB   TYR  62          2HB       TYR  62  13.934   2.891   0.152
  449   2HB   TYR  62          1HB       TYR  62  15.404   3.858   0.085
  450    HD1  TYR  62           1HD      TYR  62  13.634   0.989  -1.432
  451    HD2  TYR  62           2HD      TYR  62  16.895   3.699  -1.770
  452    HE1  TYR  62           1HE      TYR  62  14.022   0.228  -3.739
  453    HE2  TYR  62           2HE      TYR  62  17.296   2.942  -4.074
  454    HH   TYR  62           HH       TYR  62  15.207   1.471  -5.918
  455    H    ILE  63           H        ILE  63  17.246   3.778   1.775
  456    HA   ILE  63           HA       ILE  63  19.567   2.936   0.337
  457    HB   ILE  63           HB       ILE  63  19.771   4.701   2.744
  458   1HG1  ILE  63          2HG1      ILE  63  17.706   5.355   1.450
  459   1HG2  ILE  63          1HG2      ILE  63  21.697   3.990   1.216
  460   2HG2  ILE  63          2HG2      ILE  63  21.003   5.111   0.044
  461   3HG2  ILE  63          3HG2      ILE  63  21.545   5.700   1.617
  462   1HD1  ILE  63          1HD1      ILE  63  17.808   5.365  -0.760
  463   2HD1  ILE  63          2HD1      ILE  63  18.686   6.884  -0.585
  464   3HD1  ILE  63          3HD1      ILE  63  19.574   5.371  -0.769
  465    H    ARG  64           H        ARG  64  18.195   2.182   3.390
  466    HA   ARG  64           HA       ARG  64  20.574   1.184   4.625
  467   1HB   ARG  64          2HB       ARG  64  18.896   1.921   6.103
  468   2HB   ARG  64          1HB       ARG  64  17.634   1.051   5.247
  469   1HG   ARG  64          2HG       ARG  64  19.617  -0.771   6.272
  470   2HG   ARG  64          1HG       ARG  64  18.966   0.256   7.551
  471   1HD   ARG  64          2HD       ARG  64  16.938  -0.770   5.714
  472   2HD   ARG  64          1HD       ARG  64  17.802  -2.030   6.592
  473    HE   ARG  64           HE       ARG  64  16.301   0.183   7.853
  474   1HH1  ARG  64          2HH1      ARG  64  17.534  -3.101   7.848
  475   2HH1  ARG  64          1HH1      ARG  64  16.791  -3.526   9.366
  476   1HH2  ARG  64          2HH2      ARG  64  15.350  -0.357   9.873
  477   2HH2  ARG  64          1HH2      ARG  64  15.565  -1.959  10.526
  478    H    LEU  65           H        LEU  65  17.729  -0.327   3.115
  479    HA   LEU  65           HA       LEU  65  18.924  -2.949   3.395
  480   1HB   LEU  65          2HB       LEU  65  16.314  -1.919   3.258
  481   2HB   LEU  65          1HB       LEU  65  16.509  -2.924   1.834
  482    HG   LEU  65           HG       LEU  65  17.549  -4.394   4.010
  483   1HD1  LEU  65          1HD1      LEU  65  14.853  -3.176   4.591
  484   2HD1  LEU  65          2HD1      LEU  65  15.572  -4.526   5.467
  485   3HD1  LEU  65          3HD1      LEU  65  16.332  -2.935   5.520
  486   1HD2  LEU  65          1HD2      LEU  65  15.091  -4.585   2.295
  487   2HD2  LEU  65          2HD2      LEU  65  16.600  -5.487   2.155
  488   3HD2  LEU  65          3HD2      LEU  65  15.504  -5.807   3.500
  489    H    PHE  66           H        PHE  66  18.230  -0.670   0.808
  490    HA   PHE  66           HA       PHE  66  19.497  -2.548  -1.075
  491   1HB   PHE  66          2HB       PHE  66  17.079  -0.788  -1.439
  492   2HB   PHE  66          1HB       PHE  66  17.993  -1.406  -2.813
  493    HD1  PHE  66           1HD      PHE  66  15.655  -2.194  -0.168
  494    HD2  PHE  66           2HD      PHE  66  18.087  -3.820  -3.254
  495    HE1  PHE  66           1HE      PHE  66  14.404  -4.301  -0.034
  496    HE2  PHE  66           2HE      PHE  66  16.830  -5.932  -3.134
  497    HZ   PHE  66           HZ       PHE  66  14.988  -6.173  -1.517
  498    H    GLY  67           H        GLY  67  20.628  -0.278   0.494
  499   1HA   GLY  67          1HA       GLY  67  21.191   1.874  -1.298
  500   2HA   GLY  67          2HA       GLY  67  22.119   1.446   0.141
  501    H    ASN  68           H        ASN  68  22.530  -1.269  -0.700
  502    HA   ASN  68           HA       ASN  68  24.308  -0.935  -3.022
  503   1HB   ASN  68          2HB       ASN  68  25.765  -1.259  -1.146
  504   2HB   ASN  68          1HB       ASN  68  24.752  -2.542  -0.498
  505   1HD2  ASN  68          1HD2      ASN  68  25.865  -4.350  -0.576
  506   2HD2  ASN  68          2HD2      ASN  68  26.764  -4.934  -1.942
  507    H    SER  69           H        SER  69  22.495  -1.522  -4.277
  508    HA   SER  69           HA       SER  69  21.220  -4.070  -3.766
  509   1HB   SER  69          2HB       SER  69  20.190  -2.933  -6.126
  510   2HB   SER  69          1HB       SER  69  19.476  -2.871  -4.513
  511    HG   SER  69           HG       SER  69  20.281  -0.889  -4.201
  512    H    GLY  70           H        GLY  70  23.788  -2.923  -5.647
  513   1HA   GLY  70          1HA       GLY  70  24.973  -4.954  -6.669
  514   2HA   GLY  70          2HA       GLY  70  23.480  -5.129  -7.585
  515    H    ALA  71           H        ALA  71  23.061  -2.301  -7.911
  516    HA   ALA  71           HA       ALA  71  25.375  -1.467  -9.498
  517   1HB   ALA  71          1HB       ALA  71  23.439  -2.607 -10.846
  518   2HB   ALA  71          2HB       ALA  71  22.657  -1.039 -10.646
  519   3HB   ALA  71          3HB       ALA  71  24.218  -1.147 -11.460
  520    H    GLY  72           H        GLY  72  25.272   0.876 -10.046
  521   1HA   GLY  72          1HA       GLY  72  24.006   2.318  -7.808
  522   2HA   GLY  72          2HA       GLY  72  25.433   2.854  -8.685
  523    H    GLY  73           H        GLY  73  24.924   4.716  -9.641
  524   1HA   GLY  73          1HA       GLY  73  23.982   6.009 -11.332
  525   2HA   GLY  73          2HA       GLY  73  22.844   4.710 -11.658
  526    H    SER  74           H        SER  74  23.611   6.984  -9.038
  527    HA   SER  74           HA       SER  74  20.779   7.715  -8.910
  528   1HB   SER  74          2HB       SER  74  22.192   7.338  -6.312
  529   2HB   SER  74          1HB       SER  74  20.484   7.136  -6.706
  530    HG   SER  74           HG       SER  74  20.989   5.174  -7.714
  531    H    GLY  75           H        GLY  75  20.452   9.853  -8.586
  532   1HA   GLY  75          1HA       GLY  75  22.615  11.481  -7.464
  533   2HA   GLY  75          2HA       GLY  75  22.104  11.837  -9.106
  534    H    GLY  76           H        GLY  76  19.399  10.783  -7.583
  535   1HA   GLY  76          1HA       GLY  76  18.487  13.531  -7.200
  536   2HA   GLY  76          2HA       GLY  76  17.469  12.105  -7.351
  537    H    HIS  77           H        HIS  77  17.044  14.047  -5.417
  538    HA   HIS  77           HA       HIS  77  17.667  12.545  -2.956
  539   1HB   HIS  77          2HB       HIS  77  18.122  15.384  -3.596
  540   2HB   HIS  77          1HB       HIS  77  17.331  15.101  -2.048
  541    HD1  HIS  77           1HD      HIS  77  20.146  16.283  -2.130
  542    HD2  HIS  77           2HD      HIS  77  19.360  12.211  -1.831
  543    HE1  HIS  77           1HE      HIS  77  22.196  15.273  -1.073
  544    HE2  HIS  77           2HE      HIS  77  21.777  12.784  -1.106
  545    H    MET  78           H        MET  78  15.368  14.282  -4.867
  546    HA   MET  78           HA       MET  78  13.392  14.573  -2.818
  547   1HB   MET  78          2HB       MET  78  13.286  16.158  -4.564
  548   2HB   MET  78          1HB       MET  78  13.382  14.920  -5.808
  549   1HG   MET  78          2HG       MET  78  11.184  15.260  -5.978
  550   2HG   MET  78          1HG       MET  78  11.095  14.194  -4.578
  551   1HE   MET  78          1HE       MET  78   8.329  16.375  -4.312
  552   2HE   MET  78          2HE       MET  78   9.022  14.766  -4.100
  553   3HE   MET  78          3HE       MET  78   8.787  15.820  -2.703
  554    H    GLY  79           H        GLY  79  11.880  13.174  -2.163
  555   1HA   GLY  79          1HA       GLY  79  10.157  11.557  -3.003
  556   2HA   GLY  79          2HA       GLY  79  11.497  10.731  -3.786
  557    H    SER  80           H        SER  80   9.464  10.462  -1.315
  558    HA   SER  80           HA       SER  80  11.440   9.363   0.554
  559   1HB   SER  80          2HB       SER  80   8.488   9.680   1.077
  560   2HB   SER  80          1HB       SER  80   9.796   9.536   2.250
  561    HG   SER  80           HG       SER  80  10.475  11.597   1.750
  562    H    GLY  81           H        GLY  81   9.813   7.478   1.837
  563   1HA   GLY  81          1HA       GLY  81   9.392   5.521  -0.340
  564   2HA   GLY  81          2HA       GLY  81  10.187   5.109   1.171
  565    H    GLY  82           H        GLY  82   8.005   3.708   0.181
  566   1HA   GLY  82          1HA       GLY  82   6.315   3.590   2.391
  567   2HA   GLY  82          2HA       GLY  82   5.511   4.568   1.172
  568    H    ASP  83           H        ASP  83   3.973   2.719   1.457
  569    HA   ASP  83           HA       ASP  83   4.698   0.258   0.092
  570   1HB   ASP  83          2HB       ASP  83   3.247   0.639   2.313
  571   2HB   ASP  83          1HB       ASP  83   1.948   0.714   1.129
  572    H    VAL  84           H        VAL  84   3.264  -0.674  -1.473
  573    HA   VAL  84           HA       VAL  84   1.292   0.904  -2.808
  574    HB   VAL  84           HB       VAL  84   2.750   0.226  -5.056
  575   1HG1  VAL  84          1HG1      VAL  84   1.331   2.277  -4.328
  576   2HG1  VAL  84          2HG1      VAL  84   2.905   2.983  -3.953
  577   3HG1  VAL  84          3HG1      VAL  84   2.551   2.438  -5.592
  578   1HG2  VAL  84          1HG2      VAL  84   4.691   1.895  -3.570
  579   2HG2  VAL  84          2HG2      VAL  84   4.696   0.163  -3.235
  580   3HG2  VAL  84          3HG2      VAL  84   4.950   0.744  -4.882
  581    H    MET  85           H        MET  85   0.896  -1.365  -1.568
  582    HA   MET  85           HA       MET  85   0.127  -3.501  -1.734
  583   1HB   MET  85          2HB       MET  85  -1.055  -2.576  -3.804
  584   2HB   MET  85          1HB       MET  85   0.269  -3.252  -4.742
  585   1HG   MET  85          2HG       MET  85  -1.924  -4.600  -4.444
  586   2HG   MET  85          1HG       MET  85  -0.367  -5.420  -4.345
  587   1HE   MET  85          1HE       MET  85  -1.705  -7.645  -1.831
  588   2HE   MET  85          2HE       MET  85  -1.019  -7.322  -3.424
  589   3HE   MET  85          3HE       MET  85  -0.009  -7.190  -1.986
  590    H    VAL  86           H        VAL  86   2.732  -3.025  -1.289
  591    HA   VAL  86           HA       VAL  86   4.273  -4.779  -3.048
  592    HB   VAL  86           HB       VAL  86   5.320  -3.058  -0.772
  593   1HG1  VAL  86          1HG1      VAL  86   6.856  -4.797  -1.612
  594   2HG1  VAL  86          2HG1      VAL  86   6.661  -4.176  -3.252
  595   3HG1  VAL  86          3HG1      VAL  86   7.428  -3.177  -2.016
  596   1HG2  VAL  86          1HG2      VAL  86   5.700  -1.302  -2.297
  597   2HG2  VAL  86          2HG2      VAL  86   5.209  -2.287  -3.673
  598   3HG2  VAL  86          3HG2      VAL  86   4.014  -1.778  -2.481
  599    H    VAL  87           H        VAL  87   2.361  -5.201  -0.501
  600    HA   VAL  87           HA       VAL  87   4.017  -6.881   1.154
  601    HB   VAL  87           HB       VAL  87   1.791  -7.553   2.181
  602   1HG1  VAL  87          1HG1      VAL  87   3.337  -5.840   3.091
  603   2HG1  VAL  87          2HG1      VAL  87   2.442  -4.612   2.198
  604   3HG1  VAL  87          3HG1      VAL  87   1.642  -5.533   3.471
  605   1HG2  VAL  87          1HG2      VAL  87  -0.120  -6.929   1.239
  606   2HG2  VAL  87          2HG2      VAL  87   0.369  -5.236   1.291
  607   3HG2  VAL  87          3HG2      VAL  87   0.797  -6.234  -0.098
  608    H    GLY  88           H        GLY  88   3.249  -9.144   1.634
  609   1HA   GLY  88          1HA       GLY  88   2.460 -11.240   0.900
  610   2HA   GLY  88          2HA       GLY  88   2.157 -10.548  -0.689
  611    H    GLU  89           H        GLU  89   3.328 -11.708  -2.058
  612    HA   GLU  89           HA       GLU  89   6.216 -11.600  -1.727
  613   1HB   GLU  89          2HB       GLU  89   4.875 -13.954  -1.160
  614   2HB   GLU  89          1HB       GLU  89   5.394 -14.176  -2.826
  615   1HG   GLU  89          2HG       GLU  89   7.655 -13.199  -1.718
  616   2HG   GLU  89          1HG       GLU  89   6.963 -14.072  -0.353
  617    HA   PRO  90           HA       PRO  90   4.605 -10.656  -5.998
  618   1HB   PRO  90          2HB       PRO  90   6.025  -8.131  -5.756
  619   2HB   PRO  90          1HB       PRO  90   4.307  -8.410  -6.037
  620   1HG   PRO  90          2HG       PRO  90   5.286  -7.367  -3.724
  621   2HG   PRO  90          1HG       PRO  90   3.792  -8.320  -3.805
  622   1HD   PRO  90          2HD       PRO  90   6.538  -9.160  -2.951
  623   2HD   PRO  90          1HD       PRO  90   4.961  -9.578  -2.246
  624    H    THR  91           H        THR  91   5.799 -11.201  -7.733
  625    HA   THR  91           HA       THR  91   8.596 -11.769  -7.392
  626    HB   THR  91           HB       THR  91   7.561 -11.944 -10.120
  627    HG1  THR  91           1HG      THR  91   5.957 -13.450  -9.684
  628   1HG2  THR  91          1HG2      THR  91   8.352 -14.240  -8.369
  629   2HG2  THR  91          2HG2      THR  91   9.571 -13.096  -8.929
  630   3HG2  THR  91          3HG2      THR  91   8.618 -14.009 -10.097
  631    H    LEU  92           H        LEU  92   8.578  -9.221  -6.969
  632    HA   LEU  92           HA       LEU  92   8.707  -7.504  -9.216
  633   1HB   LEU  92          2HB       LEU  92   9.041  -7.310  -6.361
  634   2HB   LEU  92          1HB       LEU  92  10.309  -6.418  -7.181
  635    HG   LEU  92           HG       LEU  92   7.771  -5.825  -8.395
  636   1HD1  LEU  92          1HD1      LEU  92   7.819  -4.906  -5.566
  637   2HD1  LEU  92          2HD1      LEU  92   6.460  -5.083  -6.675
  638   3HD1  LEU  92          3HD1      LEU  92   7.181  -6.510  -5.930
  639   1HD2  LEU  92          1HD2      LEU  92   9.442  -3.980  -6.725
  640   2HD2  LEU  92          2HD2      LEU  92   9.989  -4.535  -8.307
  641   3HD2  LEU  92          3HD2      LEU  92   8.488  -3.620  -8.165
  642    H    MET  93           H        MET  93  10.254  -7.232 -10.658
  643    HA   MET  93           HA       MET  93  12.643  -8.780 -10.598
  644   1HB   MET  93          2HB       MET  93  11.179  -7.350 -12.520
  645   2HB   MET  93          1HB       MET  93  12.751  -6.566 -12.457
  646   1HG   MET  93          2HG       MET  93  13.852  -8.381 -13.262
  647   2HG   MET  93          1HG       MET  93  12.683  -9.524 -12.598
  648   1HE   MET  93          1HE       MET  93   9.624  -8.598 -14.553
  649   2HE   MET  93          2HE       MET  93  10.201 -10.255 -14.735
  650   3HE   MET  93          3HE       MET  93  10.343  -9.435 -13.179
  651    H    GLY  94           H        GLY  94  14.759  -8.137 -10.276
  652   1HA   GLY  94          1HA       GLY  94  15.112  -5.910  -8.479
  653   2HA   GLY  94          2HA       GLY  94  16.352  -7.037  -9.009
  654    H    GLY  95           H        GLY  95  17.091  -4.492  -8.812
  655   1HA   GLY  95          1HA       GLY  95  17.736  -3.845 -11.550
  656   2HA   GLY  95          2HA       GLY  95  16.721  -2.647 -10.756
  657    H    GLU  96           H        GLU  96  18.177  -1.012 -10.655
  658    HA   GLU  96           HA       GLU  96  20.718  -1.522  -9.273
  659   1HB   GLU  96          2HB       GLU  96  21.343   0.753 -10.086
  660   2HB   GLU  96          1HB       GLU  96  21.005  -0.396 -11.373
  661   1HG   GLU  96          2HG       GLU  96  18.591   0.959 -10.724
  662   2HG   GLU  96          1HG       GLU  96  19.871   2.154 -10.940
  663    H    PHE  97           H        PHE  97  21.250   0.982  -8.311
  664    HA   PHE  97           HA       PHE  97  19.589   1.139  -5.963
  665   1HB   PHE  97          2HB       PHE  97  22.092   1.509  -5.999
  666   2HB   PHE  97          1HB       PHE  97  21.786   3.026  -6.837
  667    HD1  PHE  97           1HD      PHE  97  22.979   4.168  -5.014
  668    HD2  PHE  97           2HD      PHE  97  19.394   1.985  -4.324
  669    HE1  PHE  97           1HE      PHE  97  22.709   5.308  -2.853
  670    HE2  PHE  97           2HE      PHE  97  19.114   3.123  -2.162
  671    HZ   PHE  97           HZ       PHE  97  20.772   4.789  -1.426
  672    H    GLY  98           H        GLY  98  17.611   1.915  -6.327
  673   1HA   GLY  98          1HA       GLY  98  17.166   3.881  -8.373
  674   2HA   GLY  98          2HA       GLY  98  15.941   3.061  -7.422
  675    H    ASP  99           H        ASP  99  17.837   5.862  -7.811
  676    HA   ASP  99           HA       ASP  99  16.974   7.119  -5.341
  677   1HB   ASP  99          2HB       ASP  99  17.950   9.177  -6.314
  678   2HB   ASP  99          1HB       ASP  99  19.102   7.847  -6.293
  679    H    GLU 100           H        GLU 100  16.109   6.939  -8.721
  680    HA   GLU 100           HA       GLU 100  13.742   8.609  -8.255
  681   1HB   GLU 100          2HB       GLU 100  14.798   7.463 -10.849
  682   2HB   GLU 100          1HB       GLU 100  13.453   8.585 -10.681
  683   1HG   GLU 100          2HG       GLU 100  16.254   9.226  -9.803
  684   2HG   GLU 100          1HG       GLU 100  15.640   9.576 -11.418
  685    H    ASP 101           H        ASP 101  14.116   5.944  -7.135
  686    HA   ASP 101           HA       ASP 101  12.286   4.236  -8.634
  687   1HB   ASP 101          2HB       ASP 101  14.412   3.773  -6.835
  688   2HB   ASP 101          1HB       ASP 101  12.956   3.230  -6.012
  689    H    GLU 102           H        GLU 102  11.890   6.791  -6.711
  690    HA   GLU 102           HA       GLU 102  10.024   5.875  -4.784
  691   1HB   GLU 102          2HB       GLU 102   9.388   8.403  -4.789
  692   2HB   GLU 102          1HB       GLU 102  10.956   7.899  -4.178
  693   1HG   GLU 102          2HG       GLU 102  11.933   9.270  -5.594
  694   2HG   GLU 102          1HG       GLU 102  11.254   8.363  -6.944
  695    H    ARG 103           H        ARG 103   8.068   5.210  -5.095
  696    HA   ARG 103           HA       ARG 103   6.745   5.739  -7.630
  697   1HB   ARG 103          2HB       ARG 103   6.950   3.498  -5.970
  698   2HB   ARG 103          1HB       ARG 103   5.281   4.024  -5.810
  699   1HG   ARG 103          2HG       ARG 103   5.409   2.413  -7.565
  700   2HG   ARG 103          1HG       ARG 103   5.082   3.992  -8.276
  701   1HD   ARG 103          2HD       ARG 103   6.715   2.963  -9.645
  702   2HD   ARG 103          1HD       ARG 103   7.553   4.194  -8.702
  703    HE   ARG 103           HE       ARG 103   7.622   1.579  -7.499
  704   1HH1  ARG 103          2HH1      ARG 103   9.142   3.690  -9.850
  705   2HH1  ARG 103          1HH1      ARG 103  10.704   2.940  -9.697
  706   1HH2  ARG 103          2HH2      ARG 103   9.688   0.567  -7.335
  707   2HH2  ARG 103          1HH2      ARG 103  11.020   1.191  -8.267
  708    H    LEU 104           H        LEU 104   4.115   5.105  -6.248
  709    HA   LEU 104           HA       LEU 104   3.608   7.865  -5.386
  710   1HB   LEU 104          2HB       LEU 104   1.175   7.120  -6.193
  711   2HB   LEU 104          1HB       LEU 104   2.351   7.859  -7.251
  712    HG   LEU 104           HG       LEU 104   1.039   5.883  -8.150
  713   1HD1  LEU 104          1HD1      LEU 104   4.016   6.067  -8.270
  714   2HD1  LEU 104          2HD1      LEU 104   3.129   4.848  -9.188
  715   3HD1  LEU 104          3HD1      LEU 104   2.814   6.563  -9.462
  716   1HD2  LEU 104          1HD2      LEU 104   3.010   4.201  -6.633
  717   2HD2  LEU 104          2HD2      LEU 104   1.366   4.501  -6.059
  718   3HD2  LEU 104          3HD2      LEU 104   1.626   3.686  -7.601
  719    H    ILE 105           H        ILE 105   2.104   8.302  -3.790
  720    HA   ILE 105           HA       ILE 105   0.874   6.034  -2.411
  721    HB   ILE 105           HB       ILE 105   2.681   8.028  -1.108
  722   1HG1  ILE 105          2HG1      ILE 105   2.104   5.221  -0.231
  723   1HG2  ILE 105          1HG2      ILE 105   0.042   7.264  -0.079
  724   2HG2  ILE 105          2HG2      ILE 105   1.374   7.036   1.054
  725   3HG2  ILE 105          3HG2      ILE 105   1.080   8.625   0.349
  726   1HD1  ILE 105          1HD1      ILE 105   4.751   6.610  -0.271
  727   2HD1  ILE 105          2HD1      ILE 105   3.615   6.835   1.059
  728   3HD1  ILE 105          3HD1      ILE 105   4.232   5.223   0.689
  729    H    THR 106           H        THR 106  -1.257   6.417  -2.445
  730    HA   THR 106           HA       THR 106  -2.165   9.139  -2.934
  731    HB   THR 106           HB       THR 106  -4.102   6.903  -2.701
  732    HG1  THR 106           1HG      THR 106  -2.560   5.809  -3.847
  733   1HG2  THR 106          1HG2      THR 106  -4.019   8.565  -5.112
  734   2HG2  THR 106          2HG2      THR 106  -4.223   9.475  -3.614
  735   3HG2  THR 106          3HG2      THR 106  -5.366   8.196  -4.035
  736    H    ARG 107           H        ARG 107  -1.828  10.069  -0.907
  737    HA   ARG 107           HA       ARG 107  -3.329   8.972   1.353
  738   1HB   ARG 107          2HB       ARG 107  -0.863  10.232   1.177
  739   2HB   ARG 107          1HB       ARG 107  -1.918  11.496   1.787
  740   1HG   ARG 107          2HG       ARG 107  -1.210   8.871   3.034
  741   2HG   ARG 107          1HG       ARG 107  -1.055  10.496   3.698
  742   1HD   ARG 107          2HD       ARG 107  -3.785   9.572   3.008
  743   2HD   ARG 107          1HD       ARG 107  -3.012   8.817   4.400
  744    HE   ARG 107           HE       ARG 107  -4.082  11.461   4.244
  745   1HH1  ARG 107          2HH1      ARG 107  -1.492   9.602   5.710
  746   2HH1  ARG 107          1HH1      ARG 107  -1.420  10.583   7.140
  747   1HH2  ARG 107          2HH2      ARG 107  -4.004  12.756   6.138
  748   2HH2  ARG 107          1HH2      ARG 107  -2.852  12.371   7.390
  749    H    LEU 108           H        LEU 108  -5.401   9.458   0.415
  750    HA   LEU 108           HA       LEU 108  -6.058  12.318   0.606
  751   1HB   LEU 108          2HB       LEU 108  -6.519  10.424  -1.570
  752   2HB   LEU 108          1HB       LEU 108  -7.973  11.269  -1.073
  753    HG   LEU 108           HG       LEU 108  -5.470  12.810  -1.648
  754   1HD1  LEU 108          1HD1      LEU 108  -5.927  11.257  -3.555
  755   2HD1  LEU 108          2HD1      LEU 108  -7.493  12.051  -3.741
  756   3HD1  LEU 108          3HD1      LEU 108  -6.006  12.974  -3.957
  757   1HD2  LEU 108          1HD2      LEU 108  -8.128  13.431  -0.907
  758   2HD2  LEU 108          2HD2      LEU 108  -6.808  14.539  -1.284
  759   3HD2  LEU 108          3HD2      LEU 108  -7.892  13.995  -2.563
  760    H    GLU 109           H        GLU 109  -6.991  12.432   2.512
  761    HA   GLU 109           HA       GLU 109  -8.768  10.441   3.562
  762   1HB   GLU 109          2HB       GLU 109  -8.330  13.293   4.477
  763   2HB   GLU 109          1HB       GLU 109  -9.078  12.003   5.406
  764   1HG   GLU 109          2HG       GLU 109  -7.034  11.842   6.306
  765   2HG   GLU 109          1HG       GLU 109  -6.713  10.861   4.878
  766    H    ASN 110           H        ASN 110 -11.011  10.839   4.087
  767    HA   ASN 110           HA       ASN 110 -12.550  11.705   1.910
  768   1HB   ASN 110          2HB       ASN 110 -13.273  10.111   3.727
  769   2HB   ASN 110          1HB       ASN 110 -13.490  11.507   4.778
  770   1HD2  ASN 110          1HD2      ASN 110 -15.669  11.337   5.033
  771   2HD2  ASN 110          2HD2      ASN 110 -16.802  11.534   3.732
  772    H    THR 111           H        THR 111 -11.580  13.332   4.869
  773    HA   THR 111           HA       THR 111 -13.147  15.681   4.322
  774    HB   THR 111           HB       THR 111 -11.281  16.314   6.289
  775    HG1  THR 111           1HG      THR 111 -10.946  14.513   7.460
  776   1HG2  THR 111          1HG2      THR 111 -13.768  15.006   7.186
  777   2HG2  THR 111          2HG2      THR 111 -13.976  16.311   6.017
  778   3HG2  THR 111          3HG2      THR 111 -13.144  16.617   7.543
  779    H    GLN 112           H        GLN 112 -10.260  14.525   3.117
  780    HA   GLN 112           HA       GLN 112  -9.024  17.166   2.855
  781   1HB   GLN 112          2HB       GLN 112  -7.786  14.954   3.458
  782   2HB   GLN 112          1HB       GLN 112  -7.889  14.621   1.735
  783   1HG   GLN 112          2HG       GLN 112  -6.918  17.225   1.914
  784   2HG   GLN 112          1HG       GLN 112  -6.067  16.319   3.167
  785   1HE2  GLN 112          1HE2      GLN 112  -5.425  14.019   2.321
  786   2HE2  GLN 112          2HE2      GLN 112  -4.618  14.027   0.785
  787    H    PHE 113           H        PHE 113 -11.322  15.444   1.312
  788    HA   PHE 113           HA       PHE 113 -10.460  15.875  -1.405
  789   1HB   PHE 113          2HB       PHE 113 -12.786  14.588  -0.075
  790   2HB   PHE 113          1HB       PHE 113 -13.031  15.190  -1.713
  791    HD1  PHE 113           1HD      PHE 113 -11.777  12.528   0.282
  792    HD2  PHE 113           2HD      PHE 113 -11.380  14.421  -3.508
  793    HE1  PHE 113           1HE      PHE 113 -10.705  10.502  -0.613
  794    HE2  PHE 113           2HE      PHE 113 -10.315  12.395  -4.411
  795    HZ   PHE 113           HZ       PHE 113  -9.977  10.433  -2.963
  796    H    ASP 114           H        ASP 114 -12.308  17.584   0.961
  797    HA   ASP 114           HA       ASP 114 -12.723  19.752  -0.936
  798   1HB   ASP 114          2HB       ASP 114 -14.761  18.253  -0.985
  799   2HB   ASP 114          1HB       ASP 114 -15.037  18.706   0.693
  800    H    ALA 115           H        ALA 115 -13.344  18.649   2.387
  801    HA   ALA 115           HA       ALA 115 -13.612  21.196   3.528
  802   1HB   ALA 115          1HB       ALA 115 -12.423  19.071   5.208
  803   2HB   ALA 115          2HB       ALA 115 -13.803  20.127   5.517
  804   3HB   ALA 115          3HB       ALA 115 -13.984  18.721   4.465
  805    H    ALA 116           H        ALA 116 -10.774  19.041   3.640
  806    HA   ALA 116           HA       ALA 116  -9.073  21.394   4.117
  807   1HB   ALA 116          1HB       ALA 116  -7.693  18.851   4.184
  808   2HB   ALA 116          2HB       ALA 116  -7.807  20.103   5.422
  809   3HB   ALA 116          3HB       ALA 116  -9.064  18.874   5.294
  810    H    ASN 117           H        ASN 117  -7.174  21.655   2.841
  811    HA   ASN 117           HA       ASN 117  -5.967  21.763   0.929
  812   1HB   ASN 117          2HB       ASN 117  -5.811  19.262   1.229
  813   2HB   ASN 117          1HB       ASN 117  -7.175  19.112   0.126
  814   1HD2  ASN 117          1HD2      ASN 117  -5.219  17.788  -0.772
  815   2HD2  ASN 117          2HD2      ASN 117  -4.306  18.609  -2.001
  816    H    GLY 118           H        GLY 118  -8.768  19.998  -0.379
  817   1HA   GLY 118          1HA       GLY 118 -10.606  21.378  -1.315
  818   2HA   GLY 118          2HA       GLY 118  -9.352  22.390  -2.016
  819    H    ILE 119           H        ILE 119  -7.616  20.523  -3.013
  820    HA   ILE 119           HA       ILE 119  -8.964  18.559  -4.590
  821    HB   ILE 119           HB       ILE 119  -9.454  20.825  -5.725
  822   1HG1  ILE 119          2HG1      ILE 119  -8.936  19.788  -8.025
  823   1HG2  ILE 119          1HG2      ILE 119  -7.682  21.571  -7.292
  824   2HG2  ILE 119          2HG2      ILE 119  -7.285  21.833  -5.592
  825   3HG2  ILE 119          3HG2      ILE 119  -6.556  20.488  -6.471
  826   1HD1  ILE 119          1HD1      ILE 119 -10.504  17.877  -7.685
  827   2HD1  ILE 119          2HD1      ILE 119 -10.514  18.277  -5.966
  828   3HD1  ILE 119          3HD1      ILE 119 -11.108  19.443  -7.149
  829    H    ASP 120           H        ASP 120  -7.484  17.240  -5.778
  830    HA   ASP 120           HA       ASP 120  -4.645  17.756  -5.195
  831   1HB   ASP 120          2HB       ASP 120  -5.750  16.070  -3.627
  832   2HB   ASP 120          1HB       ASP 120  -5.907  15.018  -5.030
  833    H    ASP 121           H        ASP 121  -3.248  16.161  -6.508
  834    HA   ASP 121           HA       ASP 121  -4.106  16.351  -9.283
  835   1HB   ASP 121          2HB       ASP 121  -1.786  16.979  -8.472
  836   2HB   ASP 121          1HB       ASP 121  -1.494  15.261  -8.229
  837    H    GLU 122           H        GLU 122  -5.828  14.708  -8.465
  838    HA   GLU 122           HA       GLU 122  -4.829  12.002  -9.052
  839   1HB   GLU 122          2HB       GLU 122  -6.271  12.983  -6.732
  840   2HB   GLU 122          1HB       GLU 122  -7.152  11.690  -7.536
  841   1HG   GLU 122          2HG       GLU 122  -4.265  11.493  -6.724
  842   2HG   GLU 122          1HG       GLU 122  -5.609  10.953  -5.720
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -14.200   2.729  -9.681
    2   2H    GLY   1          2H        GLY   1 -15.029   2.381 -11.119
    3   3H    GLY   1          3H        GLY   1 -14.422   3.938 -10.847
    4   1HA   GLY   1          2HA       GLY   1 -12.568   3.388 -11.885
    5   2HA   GLY   1          1HA       GLY   1 -12.260   2.238 -10.589
    6    H    SER   2           H        SER   2 -11.715   0.340 -11.424
    7    HA   SER   2           HA       SER   2 -13.429  -0.782 -13.526
    8   1HB   SER   2          2HB       SER   2 -10.608  -1.606 -13.682
    9   2HB   SER   2          1HB       SER   2 -11.725  -1.167 -14.974
   10    HG   SER   2           HG       SER   2 -10.172   0.406 -14.923
   11    H    LEU   3           H        LEU   3 -14.370  -1.693 -11.565
   12    HA   LEU   3           HA       LEU   3 -14.769  -3.400 -10.124
   13   1HB   LEU   3          2HB       LEU   3 -13.743  -4.704 -12.180
   14   2HB   LEU   3          1HB       LEU   3 -12.401  -4.954 -11.079
   15    HG   LEU   3           HG       LEU   3 -14.203  -5.835  -9.439
   16   1HD1  LEU   3          1HD1      LEU   3 -16.150  -5.108 -10.691
   17   2HD1  LEU   3          2HD1      LEU   3 -15.655  -6.092 -12.068
   18   3HD1  LEU   3          3HD1      LEU   3 -16.128  -6.867 -10.555
   19   1HD2  LEU   3          1HD2      LEU   3 -14.098  -8.088 -10.563
   20   2HD2  LEU   3          2HD2      LEU   3 -13.262  -7.290 -11.897
   21   3HD2  LEU   3          3HD2      LEU   3 -12.547  -7.297 -10.283
   22    H    SER   4           H        SER   4 -12.965  -1.200  -9.590
   23    HA   SER   4           HA       SER   4 -11.168  -2.384  -7.591
   24   1HB   SER   4          2HB       SER   4 -10.838   0.470  -7.987
   25   2HB   SER   4          1HB       SER   4  -9.656  -0.824  -8.185
   26    HG   SER   4           HG       SER   4 -10.031  -0.879 -10.270
   27    H    TRP   5           H        TRP   5 -11.975  -2.430  -5.618
   28    HA   TRP   5           HA       TRP   5 -13.846  -0.305  -4.826
   29   1HB   TRP   5          2HB       TRP   5 -14.143  -3.094  -4.744
   30   2HB   TRP   5          1HB       TRP   5 -13.901  -2.596  -3.070
   31    HD1  TRP   5           HD       TRP   5 -16.177  -1.790  -6.070
   32    HE1  TRP   5           1HE      TRP   5 -18.450  -0.972  -5.156
   33    HE3  TRP   5           3HE      TRP   5 -15.061  -1.732  -1.093
   34    HZ2  TRP   5           2HZ      TRP   5 -19.601  -0.388  -2.643
   35    HZ3  TRP   5           3HZ      TRP   5 -16.791  -1.031   0.503
   36    HH2  TRP   5           HH       TRP   5 -19.016  -0.370  -0.257
   37    H    LYS   6           H        LYS   6 -13.675   0.617  -2.803
   38    HA   LYS   6           HA       LYS   6 -11.050   1.062  -1.890
   39   1HB   LYS   6          2HB       LYS   6 -13.385   2.394  -1.667
   40   2HB   LYS   6          1HB       LYS   6 -13.291   1.687  -0.062
   41   1HG   LYS   6          2HG       LYS   6 -10.760   2.825  -0.761
   42   2HG   LYS   6          1HG       LYS   6 -12.043   4.013  -0.997
   43   1HD   LYS   6          2HD       LYS   6 -12.223   2.444   1.485
   44   2HD   LYS   6          1HD       LYS   6 -10.830   3.519   1.377
   45   1HE   LYS   6          2HE       LYS   6 -12.172   5.169   2.029
   46   2HE   LYS   6          1HE       LYS   6 -12.968   5.043   0.461
   47   1HZ   LYS   6          1HZ       LYS   6 -14.474   4.908   2.427
   48   2HZ   LYS   6          2HZ       LYS   6 -13.754   3.426   2.821
   49   3HZ   LYS   6          3HZ       LYS   6 -14.598   3.594   1.361
   50    H    ARG   7           H        ARG   7 -10.285  -1.076  -1.441
   51    HA   ARG   7           HA       ARG   7 -11.098  -2.016   1.225
   52   1HB   ARG   7          2HB       ARG   7 -10.541  -4.291   0.581
   53   2HB   ARG   7          1HB       ARG   7 -11.750  -3.642  -0.518
   54   1HG   ARG   7          2HG       ARG   7 -10.408  -4.495  -2.096
   55   2HG   ARG   7          1HG       ARG   7  -9.494  -3.008  -1.851
   56   1HD   ARG   7          2HD       ARG   7  -8.329  -5.379  -1.807
   57   2HD   ARG   7          1HD       ARG   7  -7.797  -4.065  -0.763
   58    HE   ARG   7           HE       ARG   7  -8.529  -5.243   1.067
   59   1HH1  ARG   7          2HH1      ARG   7  -9.801  -6.714  -1.850
   60   2HH1  ARG   7          1HH1      ARG   7 -10.315  -8.169  -1.049
   61   1HH2  ARG   7          2HH2      ARG   7  -9.214  -7.152   2.134
   62   2HH2  ARG   7          1HH2      ARG   7  -9.993  -8.412   1.217
   63    H    CYS   8           H        CYS   8  -9.474  -2.652   2.599
   64    HA   CYS   8           HA       CYS   8  -6.878  -1.485   2.070
   65   1HB   CYS   8          2HB       CYS   8  -8.032  -1.089   4.213
   66   2HB   CYS   8          1HB       CYS   8  -8.006  -2.818   4.532
   67    H    ALA   9           H        ALA   9  -4.987  -2.602   1.999
   68    HA   ALA   9           HA       ALA   9  -5.193  -5.526   1.747
   69   1HB   ALA   9          1HB       ALA   9  -3.183  -5.452   0.424
   70   2HB   ALA   9          2HB       ALA   9  -4.325  -4.272  -0.221
   71   3HB   ALA   9          3HB       ALA   9  -2.969  -3.735   0.772
   72    H    GLY  10           H        GLY  10  -4.591  -3.301   3.994
   73   1HA   GLY  10          1HA       GLY  10  -2.124  -4.449   5.045
   74   2HA   GLY  10          2HA       GLY  10  -2.951  -3.019   5.645
   75    H    CYS  11           H        CYS  11  -5.536  -4.136   5.998
   76    HA   CYS  11           HA       CYS  11  -4.929  -6.004   8.189
   77   1HB   CYS  11          2HB       CYS  11  -6.883  -5.025   9.380
   78   2HB   CYS  11          1HB       CYS  11  -5.579  -3.878   9.103
   79    H    GLY  12           H        GLY  12  -8.126  -5.040   7.112
   80   1HA   GLY  12          1HA       GLY  12  -8.667  -7.894   6.607
   81   2HA   GLY  12          2HA       GLY  12  -9.844  -6.725   7.180
   82    H    GLY  13           H        GLY  13 -11.243  -5.982   5.749
   83   1HA   GLY  13          1HA       GLY  13 -10.598  -6.415   2.902
   84   2HA   GLY  13          2HA       GLY  13 -12.202  -6.602   3.593
   85    H    LYS  14           H        LYS  14 -13.541  -5.040   3.115
   86    HA   LYS  14           HA       LYS  14 -12.772  -2.707   1.755
   87   1HB   LYS  14          2HB       LYS  14 -15.359  -3.392   3.148
   88   2HB   LYS  14          1HB       LYS  14 -15.140  -2.011   2.081
   89   1HG   LYS  14          2HG       LYS  14 -15.239  -3.267   0.225
   90   2HG   LYS  14          1HG       LYS  14 -14.329  -4.595   0.945
   91   1HD   LYS  14          2HD       LYS  14 -16.192  -5.695   1.527
   92   2HD   LYS  14          1HD       LYS  14 -16.971  -4.227   2.128
   93   1HE   LYS  14          2HE       LYS  14 -18.158  -4.000   0.260
   94   2HE   LYS  14          1HE       LYS  14 -16.727  -4.192  -0.751
   95   1HZ   LYS  14          1HZ       LYS  14 -18.772  -5.935  -0.613
   96   2HZ   LYS  14          2HZ       LYS  14 -17.657  -6.646   0.446
   97   3HZ   LYS  14          3HZ       LYS  14 -17.214  -6.315  -1.160
   98    H    ILE  15           H        ILE  15 -12.460  -0.642   2.347
   99    HA   ILE  15           HA       ILE  15 -11.922  -0.160   5.155
  100    HB   ILE  15           HB       ILE  15 -11.576   1.755   2.846
  101   1HG1  ILE  15          2HG1      ILE  15  -9.517  -0.108   4.049
  102   1HG2  ILE  15          1HG2      ILE  15 -10.791   3.206   4.333
  103   2HG2  ILE  15          2HG2      ILE  15 -11.375   2.125   5.599
  104   3HG2  ILE  15          3HG2      ILE  15  -9.711   2.000   5.029
  105   1HD1  ILE  15          1HD1      ILE  15  -8.099   1.386   3.189
  106   2HD1  ILE  15          2HD1      ILE  15  -8.535   0.641   1.651
  107   3HD1  ILE  15          3HD1      ILE  15  -9.330   2.129   2.168
  108    H    ALA  16           H        ALA  16 -13.679   0.265   6.323
  109    HA   ALA  16           HA       ALA  16 -15.851   1.885   5.266
  110   1HB   ALA  16          1HB       ALA  16 -16.125   1.393   8.058
  111   2HB   ALA  16          2HB       ALA  16 -17.065   0.729   6.722
  112   3HB   ALA  16          3HB       ALA  16 -15.608  -0.099   7.270
  113    H    ASP  17           H        ASP  17 -12.901   2.371   6.629
  114    HA   ASP  17           HA       ASP  17 -13.376   4.571   8.365
  115   1HB   ASP  17          2HB       ASP  17 -11.012   3.326   7.065
  116   2HB   ASP  17          1HB       ASP  17 -10.851   5.016   7.525
  117    H    ARG  18           H        ARG  18 -13.032   6.793   7.936
  118    HA   ARG  18           HA       ARG  18 -13.701   7.535   5.190
  119   1HB   ARG  18          2HB       ARG  18 -13.999   9.827   6.167
  120   2HB   ARG  18          1HB       ARG  18 -15.078   8.602   6.816
  121   1HG   ARG  18          2HG       ARG  18 -12.625   8.854   8.352
  122   2HG   ARG  18          1HG       ARG  18 -13.544  10.358   8.262
  123   1HD   ARG  18          2HD       ARG  18 -14.388   7.699   9.373
  124   2HD   ARG  18          1HD       ARG  18 -14.391   9.277  10.159
  125    HE   ARG  18           HE       ARG  18 -16.254   9.882   8.675
  126   1HH1  ARG  18          2HH1      ARG  18 -15.585   6.486   9.272
  127   2HH1  ARG  18          1HH1      ARG  18 -17.156   5.960   8.733
  128   1HH2  ARG  18          2HH2      ARG  18 -18.322   9.184   7.991
  129   2HH2  ARG  18          1HH2      ARG  18 -18.701   7.486   7.984
  130    H    PHE  19           H        PHE  19 -11.046   7.383   7.314
  131    HA   PHE  19           HA       PHE  19  -9.461   9.020   5.448
  132   1HB   PHE  19          2HB       PHE  19  -8.770   8.389   8.326
  133   2HB   PHE  19          1HB       PHE  19  -7.899   9.473   7.244
  134    HD1  PHE  19           1HD      PHE  19  -9.678   9.636  10.033
  135    HD2  PHE  19           2HD      PHE  19  -9.947  11.092   6.045
  136    HE1  PHE  19           1HE      PHE  19 -11.076  11.504  10.812
  137    HE2  PHE  19           2HE      PHE  19 -11.343  12.964   6.817
  138    HZ   PHE  19           HZ       PHE  19 -11.908  13.171   9.204
  139    H    LEU  20           H        LEU  20  -8.297   7.817   4.126
  140    HA   LEU  20           HA       LEU  20  -6.923   5.473   5.133
  141   1HB   LEU  20          2HB       LEU  20  -7.795   3.936   3.560
  142   2HB   LEU  20          1HB       LEU  20  -9.156   4.694   4.345
  143    HG   LEU  20           HG       LEU  20  -9.970   4.708   2.244
  144   1HD1  LEU  20          1HD1      LEU  20  -8.295   6.987   1.409
  145   2HD1  LEU  20          2HD1      LEU  20 -10.048   6.786   1.392
  146   3HD1  LEU  20          3HD1      LEU  20  -9.221   7.174   2.900
  147   1HD2  LEU  20          1HD2      LEU  20  -7.435   3.830   1.594
  148   2HD2  LEU  20          2HD2      LEU  20  -8.843   3.892   0.534
  149   3HD2  LEU  20          3HD2      LEU  20  -7.695   5.230   0.554
  150    H    LEU  21           H        LEU  21  -5.678   4.459   3.101
  151    HA   LEU  21           HA       LEU  21  -4.546   6.705   1.579
  152   1HB   LEU  21          2HB       LEU  21  -3.306   5.573   3.750
  153   2HB   LEU  21          1HB       LEU  21  -2.640   4.635   2.428
  154    HG   LEU  21           HG       LEU  21  -1.707   6.580   1.397
  155   1HD1  LEU  21          1HD1      LEU  21  -2.021   8.782   2.852
  156   2HD1  LEU  21          2HD1      LEU  21  -3.118   8.351   1.541
  157   3HD1  LEU  21          3HD1      LEU  21  -3.563   8.006   3.212
  158   1HD2  LEU  21          1HD2      LEU  21  -1.061   5.775   4.040
  159   2HD2  LEU  21          2HD2      LEU  21   0.003   6.445   2.805
  160   3HD2  LEU  21          3HD2      LEU  21  -0.833   7.518   3.925
  161    H    TYR  22           H        TYR  22  -3.423   6.030  -0.374
  162    HA   TYR  22           HA       TYR  22  -4.224   3.343  -1.291
  163   1HB   TYR  22          2HB       TYR  22  -3.954   5.679  -3.172
  164   2HB   TYR  22          1HB       TYR  22  -4.799   4.158  -3.423
  165    HD1  TYR  22           1HD      TYR  22  -7.109   4.032  -3.075
  166    HD2  TYR  22           2HD      TYR  22  -4.972   7.327  -1.456
  167    HE1  TYR  22           1HE      TYR  22  -9.233   5.112  -2.492
  168    HE2  TYR  22           2HE      TYR  22  -7.085   8.412  -0.861
  169    HH   TYR  22           HH       TYR  22  -9.306   8.142  -0.653
  170    H    ALA  23           H        ALA  23  -2.550   2.119  -2.085
  171    HA   ALA  23           HA       ALA  23  -0.136   3.448  -3.016
  172   1HB   ALA  23          1HB       ALA  23  -0.343   2.753  -0.330
  173   2HB   ALA  23          2HB       ALA  23   0.653   1.490  -1.056
  174   3HB   ALA  23          3HB       ALA  23   1.123   3.183  -1.214
  175    H    MET  24           H        MET  24   1.012   2.288  -4.417
  176    HA   MET  24           HA       MET  24   1.599   0.650  -5.876
  177   1HB   MET  24          2HB       MET  24   1.118  -0.867  -3.335
  178   2HB   MET  24          1HB       MET  24   1.568  -1.720  -4.806
  179   1HG   MET  24          2HG       MET  24   3.598  -1.389  -3.792
  180   2HG   MET  24          1HG       MET  24   3.515  -0.029  -4.909
  181   1HE   MET  24          1HE       MET  24   2.183   0.083  -0.640
  182   2HE   MET  24          2HE       MET  24   2.576  -1.334  -1.616
  183   3HE   MET  24          3HE       MET  24   3.831  -0.545  -0.661
  184    H    ASP  25           H        ASP  25  -1.031   1.540  -6.088
  185    HA   ASP  25           HA       ASP  25  -2.922   1.117  -7.243
  186   1HB   ASP  25          2HB       ASP  25  -1.138  -1.072  -8.110
  187   2HB   ASP  25          1HB       ASP  25  -2.857  -1.326  -8.401
  188    H    SER  26           H        SER  26  -2.324  -0.071  -4.457
  189    HA   SER  26           HA       SER  26  -4.889  -1.495  -4.322
  190   1HB   SER  26          2HB       SER  26  -3.262  -2.146  -2.037
  191   2HB   SER  26          1HB       SER  26  -3.980  -3.238  -3.221
  192    HG   SER  26           HG       SER  26  -1.893  -2.062  -4.360
  193    H    TYR  27           H        TYR  27  -5.953  -1.141  -2.152
  194    HA   TYR  27           HA       TYR  27  -5.288   1.566  -1.237
  195   1HB   TYR  27          2HB       TYR  27  -7.922   0.165  -0.799
  196   2HB   TYR  27          1HB       TYR  27  -7.565   1.878  -0.612
  197    HD1  TYR  27           1HD      TYR  27  -6.105   2.435  -3.164
  198    HD2  TYR  27           2HD      TYR  27  -9.593   0.113  -2.410
  199    HE1  TYR  27           1HE      TYR  27  -6.860   2.820  -5.472
  200    HE2  TYR  27           2HE      TYR  27 -10.361   0.506  -4.710
  201    HH   TYR  27           HH       TYR  27  -8.333   2.126  -7.085
  202    H    TRP  28           H        TRP  28  -5.351   2.018   0.990
  203    HA   TRP  28           HA       TRP  28  -4.945  -0.271   2.788
  204   1HB   TRP  28          2HB       TRP  28  -2.989   2.012   2.364
  205   2HB   TRP  28          1HB       TRP  28  -2.825   0.749   3.568
  206    HD1  TRP  28           HD       TRP  28  -2.772   1.174  -0.278
  207    HE1  TRP  28           1HE      TRP  28  -1.240  -0.642  -1.265
  208    HE3  TRP  28           3HE      TRP  28  -1.706  -1.398   4.007
  209    HZ2  TRP  28           2HZ      TRP  28   0.218  -2.866  -0.348
  210    HZ3  TRP  28           3HZ      TRP  28  -0.231  -3.360   3.864
  211    HH2  TRP  28           HH       TRP  28   0.714  -4.077   1.729
  212    H    HIS  29           H        HIS  29  -4.259   0.740   5.010
  213    HA   HIS  29           HA       HIS  29  -5.955   3.081   5.583
  214   1HB   HIS  29          2HB       HIS  29  -5.008   0.801   7.291
  215   2HB   HIS  29          1HB       HIS  29  -5.292   2.368   8.039
  216    HD2  HIS  29           2HD      HIS  29  -8.045   3.318   7.526
  217    HE1  HIS  29           1HE      HIS  29  -9.408  -0.690   7.447
  218    HE2  HIS  29           2HE      HIS  29 -10.057   1.719   7.907
  219    H    SER  30           H        SER  30  -4.879   4.640   7.127
  220    HA   SER  30           HA       SER  30  -2.271   5.337   6.236
  221   1HB   SER  30          2HB       SER  30  -3.017   6.459   8.813
  222   2HB   SER  30          1HB       SER  30  -2.778   7.270   7.269
  223    HG   SER  30           HG       SER  30  -5.027   7.024   8.442
  224    H    ARG  31           H        ARG  31  -3.592   3.604   8.947
  225    HA   ARG  31           HA       ARG  31  -1.046   3.294  10.286
  226   1HB   ARG  31          2HB       ARG  31  -3.242   3.552  11.472
  227   2HB   ARG  31          1HB       ARG  31  -3.688   1.957  10.885
  228   1HG   ARG  31          2HG       ARG  31  -1.404   1.294  12.044
  229   2HG   ARG  31          1HG       ARG  31  -1.762   2.737  12.997
  230   1HD   ARG  31          2HD       ARG  31  -3.860   0.649  12.546
  231   2HD   ARG  31          1HD       ARG  31  -2.637   0.428  13.798
  232    HE   ARG  31           HE       ARG  31  -3.447   2.705  14.616
  233   1HH1  ARG  31          2HH1      ARG  31  -5.534   0.466  12.900
  234   2HH1  ARG  31          1HH1      ARG  31  -6.972   0.957  13.748
  235   1HH2  ARG  31          2HH2      ARG  31  -5.334   3.371  15.715
  236   2HH2  ARG  31          1HH2      ARG  31  -6.854   2.592  15.373
  237    H    CYS  32           H        CYS  32  -2.784   1.626   7.861
  238    HA   CYS  32           HA       CYS  32  -1.514  -0.926   8.459
  239   1HB   CYS  32          2HB       CYS  32  -3.540  -0.136   6.368
  240   2HB   CYS  32          1HB       CYS  32  -2.869  -1.758   6.531
  241    H    LEU  33           H        LEU  33  -1.289   1.706   6.168
  242    HA   LEU  33           HA       LEU  33   0.652   0.280   4.545
  243   1HB   LEU  33          2HB       LEU  33  -0.828   1.918   3.466
  244   2HB   LEU  33          1HB       LEU  33  -0.173   3.184   4.489
  245    HG   LEU  33           HG       LEU  33   2.089   2.685   3.477
  246   1HD1  LEU  33          1HD1      LEU  33   1.668   1.674   1.068
  247   2HD1  LEU  33          2HD1      LEU  33   2.058   0.657   2.456
  248   3HD1  LEU  33          3HD1      LEU  33   0.385   0.821   1.924
  249   1HD2  LEU  33          1HD2      LEU  33   1.192   3.657   1.150
  250   2HD2  LEU  33          2HD2      LEU  33  -0.224   3.949   2.161
  251   3HD2  LEU  33          3HD2      LEU  33   1.343   4.624   2.617
  252    H    LYS  34           H        LYS  34   2.172  -0.240   6.057
  253    HA   LYS  34           HA       LYS  34   3.711   2.015   7.162
  254   1HB   LYS  34          2HB       LYS  34   4.227   0.022   8.922
  255   2HB   LYS  34          1HB       LYS  34   2.954   1.212   9.143
  256   1HG   LYS  34          2HG       LYS  34   1.725  -0.639   9.509
  257   2HG   LYS  34          1HG       LYS  34   1.586  -0.610   7.750
  258   1HD   LYS  34          2HD       LYS  34   3.674  -2.076   7.733
  259   2HD   LYS  34          1HD       LYS  34   3.388  -2.304   9.460
  260   1HE   LYS  34          2HE       LYS  34   1.227  -2.800   7.445
  261   2HE   LYS  34          1HE       LYS  34   2.429  -4.035   7.816
  262   1HZ   LYS  34          1HZ       LYS  34   1.271  -2.861  10.163
  263   2HZ   LYS  34          2HZ       LYS  34   1.449  -4.494   9.740
  264   3HZ   LYS  34          3HZ       LYS  34   0.115  -3.615   9.172
  265    H    CYS  35           H        CYS  35   5.948   1.641   7.475
  266    HA   CYS  35           HA       CYS  35   7.206   0.142   5.415
  267   1HB   CYS  35          2HB       CYS  35   8.115   2.251   6.556
  268   2HB   CYS  35          1HB       CYS  35   8.538   1.214   7.910
  269    H    SER  36           H        SER  36   8.583  -1.692   5.712
  270    HA   SER  36           HA       SER  36   7.587  -3.572   7.661
  271   1HB   SER  36          2HB       SER  36   9.973  -3.989   5.860
  272   2HB   SER  36          1HB       SER  36   8.891  -5.205   6.540
  273    HG   SER  36           HG       SER  36   8.281  -3.279   4.538
  274    H    SER  37           H        SER  37  10.009  -1.206   7.524
  275    HA   SER  37           HA       SER  37  11.456  -2.450   9.767
  276   1HB   SER  37          2HB       SER  37  12.662  -0.092   8.482
  277   2HB   SER  37          1HB       SER  37  13.391  -1.631   8.934
  278    HG   SER  37           HG       SER  37  12.540  -0.808   6.525
  279    H    CYS  38           H        CYS  38   9.922   0.506   8.636
  280    HA   CYS  38           HA       CYS  38  10.424   1.771  11.220
  281   1HB   CYS  38          2HB       CYS  38   9.304   2.994   8.701
  282   2HB   CYS  38          1HB       CYS  38   9.910   3.850  10.116
  283    H    GLN  39           H        GLN  39   7.746   0.972   9.085
  284    HA   GLN  39           HA       GLN  39   5.524   0.700   9.439
  285   1HB   GLN  39          2HB       GLN  39   6.486   0.842  12.229
  286   2HB   GLN  39          1HB       GLN  39   4.792   1.241  11.982
  287   1HG   GLN  39          2HG       GLN  39   4.605  -0.995  12.314
  288   2HG   GLN  39          1HG       GLN  39   4.841  -0.989  10.567
  289   1HE2  GLN  39          1HE2      GLN  39   5.604  -3.137  10.721
  290   2HE2  GLN  39          2HE2      GLN  39   7.209  -3.471  11.273
  291    H    ALA  40           H        ALA  40   7.023   3.525  10.925
  292    HA   ALA  40           HA       ALA  40   4.574   5.060  10.448
  293   1HB   ALA  40          1HB       ALA  40   5.838   5.108  12.653
  294   2HB   ALA  40          2HB       ALA  40   7.047   6.079  11.813
  295   3HB   ALA  40          3HB       ALA  40   5.388   6.663  11.953
  296    H    GLN  41           H        GLN  41   7.815   4.737   9.279
  297    HA   GLN  41           HA       GLN  41   8.207   7.254   8.205
  298   1HB   GLN  41          2HB       GLN  41   9.703   5.002   8.423
  299   2HB   GLN  41          1HB       GLN  41   9.413   5.040   6.689
  300   1HG   GLN  41          2HG       GLN  41  11.301   6.273   6.745
  301   2HG   GLN  41          1HG       GLN  41  10.140   7.572   7.017
  302   1HE2  GLN  41          1HE2      GLN  41  11.824   5.099   8.940
  303   2HE2  GLN  41          2HE2      GLN  41  12.307   6.178  10.210
  304    H    LEU  42           H        LEU  42   6.322   4.653   6.933
  305    HA   LEU  42           HA       LEU  42   6.421   5.237   4.206
  306   1HB   LEU  42          2HB       LEU  42   4.701   3.683   5.994
  307   2HB   LEU  42          1HB       LEU  42   3.873   4.281   4.569
  308    HG   LEU  42           HG       LEU  42   5.202   1.931   4.674
  309   1HD1  LEU  42          1HD1      LEU  42   5.019   3.651   2.214
  310   2HD1  LEU  42          2HD1      LEU  42   5.076   1.890   2.287
  311   3HD1  LEU  42          3HD1      LEU  42   3.674   2.753   2.917
  312   1HD2  LEU  42          1HD2      LEU  42   7.300   3.684   4.722
  313   2HD2  LEU  42          2HD2      LEU  42   7.376   2.013   4.159
  314   3HD2  LEU  42          3HD2      LEU  42   7.149   3.326   3.004
  315    H    GLY  43           H        GLY  43   4.594   6.729   6.780
  316   1HA   GLY  43          1HA       GLY  43   3.563   8.644   4.787
  317   2HA   GLY  43          2HA       GLY  43   2.543   8.058   6.095
  318    H    ASP  44           H        ASP  44   5.967   8.868   6.338
  319    HA   ASP  44           HA       ASP  44   5.219  11.093   8.125
  320   1HB   ASP  44          2HB       ASP  44   6.148   9.085   9.310
  321   2HB   ASP  44          1HB       ASP  44   7.653   9.326   8.430
  322    H    ILE  45           H        ILE  45   8.119   9.847   6.471
  323    HA   ILE  45           HA       ILE  45   9.171  12.505   6.132
  324    HB   ILE  45           HB       ILE  45  11.006  11.288   4.877
  325   1HG1  ILE  45          2HG1      ILE  45  10.250   8.705   6.021
  326   1HG2  ILE  45          1HG2      ILE  45  10.579  10.118   7.604
  327   2HG2  ILE  45          2HG2      ILE  45  12.081  10.648   6.844
  328   3HG2  ILE  45          3HG2      ILE  45  10.897  11.841   7.379
  329   1HD1  ILE  45          1HD1      ILE  45  10.731   9.145   3.123
  330   2HD1  ILE  45          2HD1      ILE  45  12.068   9.337   4.256
  331   3HD1  ILE  45          3HD1      ILE  45  11.210   7.799   4.159
  332    H    GLY  46           H        GLY  46   6.721  12.255   4.811
  333   1HA   GLY  46          1HA       GLY  46   5.936  13.072   2.747
  334   2HA   GLY  46          2HA       GLY  46   7.516  12.740   2.041
  335    H    THR  47           H        THR  47   4.538  11.887   1.539
  336    HA   THR  47           HA       THR  47   4.609   9.072   1.942
  337    HB   THR  47           HB       THR  47   2.592   9.482   0.124
  338    HG1  THR  47           1HG      THR  47   2.062  11.673   1.645
  339   1HG2  THR  47          1HG2      THR  47   1.326  10.040   2.446
  340   2HG2  THR  47          2HG2      THR  47   2.846   9.391   3.064
  341   3HG2  THR  47          3HG2      THR  47   1.847   8.418   1.984
  342    H    SER  48           H        SER  48   6.090   7.955   0.872
  343    HA   SER  48           HA       SER  48   5.902   7.701  -1.989
  344   1HB   SER  48          2HB       SER  48   8.688   8.072  -1.567
  345   2HB   SER  48          1HB       SER  48   7.606   9.036  -2.570
  346    HG   SER  48           HG       SER  48   7.556   9.516   0.177
  347    H    SER  49           H        SER  49   5.881   5.550  -2.204
  348    HA   SER  49           HA       SER  49   7.573   3.948  -0.422
  349   1HB   SER  49          2HB       SER  49   5.969   2.087  -1.361
  350   2HB   SER  49          1HB       SER  49   5.399   3.181  -0.102
  351    HG   SER  49           HG       SER  49   4.204   2.774  -2.312
  352    H    TYR  50           H        TYR  50   8.298   1.816  -1.503
  353    HA   TYR  50           HA       TYR  50   8.959   2.214  -4.331
  354   1HB   TYR  50          2HB       TYR  50  10.848   2.089  -2.053
  355   2HB   TYR  50          1HB       TYR  50  11.286   1.153  -3.477
  356    HD1  TYR  50           1HD      TYR  50  12.082   4.044  -1.987
  357    HD2  TYR  50           2HD      TYR  50  10.506   2.737  -5.717
  358    HE1  TYR  50           1HE      TYR  50  12.962   6.066  -3.070
  359    HE2  TYR  50           2HE      TYR  50  11.394   4.746  -6.802
  360    HH   TYR  50           HH       TYR  50  12.364   7.442  -5.187
  361    H    THR  51           H        THR  51   8.336   0.480  -5.413
  362    HA   THR  51           HA       THR  51   7.804  -1.992  -4.016
  363    HB   THR  51           HB       THR  51   7.346  -2.318  -6.789
  364    HG1  THR  51           1HG      THR  51   7.331  -0.178  -7.246
  365   1HG2  THR  51          1HG2      THR  51   5.448  -1.644  -4.544
  366   2HG2  THR  51          2HG2      THR  51   5.993  -3.261  -4.990
  367   3HG2  THR  51          3HG2      THR  51   4.992  -2.329  -6.103
  368    H    LYS  52           H        LYS  52   9.548  -3.223  -3.639
  369    HA   LYS  52           HA       LYS  52  10.752  -4.533  -5.856
  370   1HB   LYS  52          2HB       LYS  52  13.142  -4.034  -4.678
  371   2HB   LYS  52          1HB       LYS  52  12.541  -3.152  -6.072
  372   1HG   LYS  52          2HG       LYS  52  13.087  -1.390  -4.791
  373   2HG   LYS  52          1HG       LYS  52  11.480  -1.668  -4.126
  374   1HD   LYS  52          2HD       LYS  52  13.158  -3.375  -2.701
  375   2HD   LYS  52          1HD       LYS  52  14.053  -1.860  -2.842
  376   1HE   LYS  52          2HE       LYS  52  12.740  -1.767  -0.848
  377   2HE   LYS  52          1HE       LYS  52  12.027  -0.667  -2.028
  378   1HZ   LYS  52          1HZ       LYS  52  10.957  -3.333  -2.140
  379   2HZ   LYS  52          2HZ       LYS  52  10.150  -1.841  -2.085
  380   3HZ   LYS  52          3HZ       LYS  52  10.687  -2.570  -0.654
  381    H    SER  53           H        SER  53  11.494  -6.549  -5.278
  382    HA   SER  53           HA       SER  53  11.787  -8.426  -4.027
  383   1HB   SER  53          2HB       SER  53  12.080  -6.782  -1.530
  384   2HB   SER  53          1HB       SER  53  12.890  -8.287  -1.972
  385    HG   SER  53           HG       SER  53  13.779  -6.858  -3.781
  386    H    GLY  54           H        GLY  54   9.164  -6.559  -3.815
  387   1HA   GLY  54          1HA       GLY  54   7.032  -6.916  -3.020
  388   2HA   GLY  54          2HA       GLY  54   7.548  -8.525  -2.533
  389    H    MET  55           H        MET  55   9.479  -5.999  -1.344
  390    HA   MET  55           HA       MET  55   8.245  -6.321   1.301
  391   1HB   MET  55          2HB       MET  55  10.278  -6.973   1.973
  392   2HB   MET  55          1HB       MET  55  10.906  -6.712   0.355
  393   1HG   MET  55          2HG       MET  55  10.639  -4.275   1.952
  394   2HG   MET  55          1HG       MET  55  11.786  -5.454   2.587
  395   1HE   MET  55          1HE       MET  55  14.693  -5.100   1.218
  396   2HE   MET  55          2HE       MET  55  13.550  -6.377   1.639
  397   3HE   MET  55          3HE       MET  55  14.137  -6.231  -0.017
  398    H    ILE  56           H        ILE  56   7.220  -4.606   2.003
  399    HA   ILE  56           HA       ILE  56   7.304  -2.130   0.654
  400    HB   ILE  56           HB       ILE  56   6.063  -2.873   3.306
  401   1HG1  ILE  56          2HG1      ILE  56   4.982  -2.575   0.498
  402   1HG2  ILE  56          1HG2      ILE  56   6.097  -0.618   3.613
  403   2HG2  ILE  56          2HG2      ILE  56   6.197  -0.273   1.886
  404   3HG2  ILE  56          3HG2      ILE  56   4.652  -0.726   2.606
  405   1HD1  ILE  56          1HD1      ILE  56   3.046  -3.658   2.263
  406   2HD1  ILE  56          2HD1      ILE  56   3.565  -2.094   2.889
  407   3HD1  ILE  56          3HD1      ILE  56   2.937  -2.222   1.243
  408    H    LEU  57           H        LEU  57   8.873  -0.679   0.749
  409    HA   LEU  57           HA       LEU  57  10.208  -0.196   3.338
  410   1HB   LEU  57          2HB       LEU  57  11.362  -0.006   0.553
  411   2HB   LEU  57          1HB       LEU  57  12.142   0.667   1.966
  412    HG   LEU  57           HG       LEU  57  11.650  -2.244   1.373
  413   1HD1  LEU  57          1HD1      LEU  57  13.552  -1.131   0.233
  414   2HD1  LEU  57          2HD1      LEU  57  14.210  -0.720   1.819
  415   3HD1  LEU  57          3HD1      LEU  57  14.045  -2.411   1.342
  416   1HD2  LEU  57          1HD2      LEU  57  12.719  -2.739   3.496
  417   2HD2  LEU  57          2HD2      LEU  57  12.832  -1.017   3.863
  418   3HD2  LEU  57          3HD2      LEU  57  11.252  -1.795   3.754
  419    H    CYS  58           H        CYS  58  11.006   2.022   3.578
  420    HA   CYS  58           HA       CYS  58   9.140   3.967   2.490
  421   1HB   CYS  58          2HB       CYS  58  10.378   5.544   4.023
  422   2HB   CYS  58          1HB       CYS  58   9.565   4.213   4.840
  423    H    ARG  59           H        ARG  59  10.283   6.122   1.888
  424    HA   ARG  59           HA       ARG  59  11.888   5.648  -0.390
  425   1HB   ARG  59          2HB       ARG  59  10.424   7.791   0.666
  426   2HB   ARG  59          1HB       ARG  59  12.086   8.363   0.593
  427   1HG   ARG  59          2HG       ARG  59  10.844   7.020  -1.770
  428   2HG   ARG  59          1HG       ARG  59  10.529   8.723  -1.433
  429   1HD   ARG  59          2HD       ARG  59  13.258   7.484  -1.766
  430   2HD   ARG  59          1HD       ARG  59  12.397   8.400  -3.004
  431    HE   ARG  59           HE       ARG  59  13.379   9.515  -0.449
  432   1HH1  ARG  59          2HH1      ARG  59  12.421   9.887  -3.807
  433   2HH1  ARG  59          1HH1      ARG  59  12.934  11.545  -3.897
  434   1HH2  ARG  59          2HH2      ARG  59  14.060  11.684  -0.564
  435   2HH2  ARG  59          1HH2      ARG  59  13.886  12.565  -2.053
  436    H    ASN  60           H        ASN  60  12.606   6.327   2.942
  437    HA   ASN  60           HA       ASN  60  15.361   7.033   2.435
  438   1HB   ASN  60          2HB       ASN  60  14.108   8.023   4.332
  439   2HB   ASN  60          1HB       ASN  60  14.003   6.427   5.067
  440   1HD2  ASN  60          1HD2      ASN  60  15.457   6.034   6.562
  441   2HD2  ASN  60          2HD2      ASN  60  17.036   6.753   6.667
  442    H    ASP  61           H        ASP  61  13.566   4.206   3.588
  443    HA   ASP  61           HA       ASP  61  15.882   2.718   4.304
  444   1HB   ASP  61          2HB       ASP  61  12.995   2.135   4.009
  445   2HB   ASP  61          1HB       ASP  61  14.086   0.762   3.853
  446    H    TYR  62           H        TYR  62  14.180   3.251   1.343
  447    HA   TYR  62           HA       TYR  62  15.249   1.131  -0.175
  448   1HB   TYR  62          2HB       TYR  62  13.413   2.676  -0.919
  449   2HB   TYR  62          1HB       TYR  62  14.639   3.915  -1.172
  450    HD1  TYR  62           1HD      TYR  62  15.703   4.067  -3.245
  451    HD2  TYR  62           2HD      TYR  62  13.782   0.434  -2.156
  452    HE1  TYR  62           1HE      TYR  62  16.146   3.169  -5.489
  453    HE2  TYR  62           2HE      TYR  62  14.211  -0.484  -4.391
  454    HH   TYR  62           HH       TYR  62  15.610   1.528  -6.954
  455    H    ILE  63           H        ILE  63  16.426   4.428   0.447
  456    HA   ILE  63           HA       ILE  63  18.838   4.055  -1.036
  457    HB   ILE  63           HB       ILE  63  18.520   6.097   1.143
  458   1HG1  ILE  63          2HG1      ILE  63  17.457   6.325  -1.682
  459   1HG2  ILE  63          1HG2      ILE  63  20.696   6.024   0.155
  460   2HG2  ILE  63          2HG2      ILE  63  20.016   6.001  -1.472
  461   3HG2  ILE  63          3HG2      ILE  63  19.869   7.448  -0.476
  462   1HD1  ILE  63          1HD1      ILE  63  17.478   8.257   0.610
  463   2HD1  ILE  63          2HD1      ILE  63  18.082   8.489  -1.031
  464   3HD1  ILE  63          3HD1      ILE  63  16.347   8.379  -0.737
  465    H    ARG  64           H        ARG  64  17.796   3.399   2.193
  466    HA   ARG  64           HA       ARG  64  20.282   3.222   3.495
  467   1HB   ARG  64          2HB       ARG  64  17.595   2.823   4.165
  468   2HB   ARG  64          1HB       ARG  64  18.368   1.274   4.462
  469   1HG   ARG  64          2HG       ARG  64  20.088   3.183   5.552
  470   2HG   ARG  64          1HG       ARG  64  18.461   3.689   6.006
  471   1HD   ARG  64          2HD       ARG  64  19.669   0.964   6.454
  472   2HD   ARG  64          1HD       ARG  64  19.412   2.201   7.683
  473    HE   ARG  64           HE       ARG  64  16.925   1.773   6.600
  474   1HH1  ARG  64          2HH1      ARG  64  19.339  -0.245   8.153
  475   2HH1  ARG  64          1HH1      ARG  64  18.173  -1.376   8.782
  476   1HH2  ARG  64          2HH2      ARG  64  15.401   0.318   7.433
  477   2HH2  ARG  64          1HH2      ARG  64  15.921  -1.043   8.391
  478    H    LEU  65           H        LEU  65  18.317   0.721   1.890
  479    HA   LEU  65           HA       LEU  65  20.559  -1.139   2.210
  480   1HB   LEU  65          2HB       LEU  65  17.869  -1.965   1.205
  481   2HB   LEU  65          1HB       LEU  65  19.045  -2.890   2.118
  482    HG   LEU  65           HG       LEU  65  17.619  -0.564   3.369
  483   1HD1  LEU  65          1HD1      LEU  65  16.144  -2.481   4.336
  484   2HD1  LEU  65          2HD1      LEU  65  15.751  -1.766   2.772
  485   3HD1  LEU  65          3HD1      LEU  65  16.590  -3.315   2.845
  486   1HD2  LEU  65          1HD2      LEU  65  17.983  -2.168   5.371
  487   2HD2  LEU  65          2HD2      LEU  65  19.172  -2.935   4.320
  488   3HD2  LEU  65          3HD2      LEU  65  19.344  -1.234   4.752
  489    H    PHE  66           H        PHE  66  18.381   0.112  -0.294
  490    HA   PHE  66           HA       PHE  66  19.823  -1.389  -2.335
  491   1HB   PHE  66          2HB       PHE  66  17.272   0.207  -2.329
  492   2HB   PHE  66          1HB       PHE  66  18.025  -0.307  -3.835
  493    HD1  PHE  66           1HD      PHE  66  17.079  -1.798  -0.541
  494    HD2  PHE  66           2HD      PHE  66  17.223  -2.240  -4.772
  495    HE1  PHE  66           1HE      PHE  66  15.964  -3.979  -0.345
  496    HE2  PHE  66           2HE      PHE  66  16.107  -4.425  -4.583
  497    HZ   PHE  66           HZ       PHE  66  15.477  -5.297  -2.368
  498    H    GLY  67           H        GLY  67  19.719   1.769  -1.031
  499   1HA   GLY  67          1HA       GLY  67  20.529   3.183  -3.379
  500   2HA   GLY  67          2HA       GLY  67  20.524   3.804  -1.738
  501    H    ASN  68           H        ASN  68  22.347   1.686  -3.920
  502    HA   ASN  68           HA       ASN  68  24.792   2.557  -2.521
  503   1HB   ASN  68          2HB       ASN  68  23.811   0.012  -2.453
  504   2HB   ASN  68          1HB       ASN  68  24.901  -0.074  -3.833
  505   1HD2  ASN  68          1HD2      ASN  68  26.987  -0.362  -3.459
  506   2HD2  ASN  68          2HD2      ASN  68  27.760  -0.212  -1.913
  507    H    SER  69           H        SER  69  23.159   2.864  -5.302
  508    HA   SER  69           HA       SER  69  25.226   2.331  -7.209
  509   1HB   SER  69          2HB       SER  69  23.152   4.128  -8.153
  510   2HB   SER  69          1HB       SER  69  23.531   2.487  -8.676
  511    HG   SER  69           HG       SER  69  21.384   2.869  -7.681
  512    H    GLY  70           H        GLY  70  24.251   5.060  -5.295
  513   1HA   GLY  70          1HA       GLY  70  25.589   6.949  -4.894
  514   2HA   GLY  70          2HA       GLY  70  26.519   6.567  -6.336
  515    H    ALA  71           H        ALA  71  24.423   8.715  -5.044
  516    HA   ALA  71           HA       ALA  71  23.533   9.598  -7.713
  517   1HB   ALA  71          1HB       ALA  71  21.817   8.667  -5.805
  518   2HB   ALA  71          2HB       ALA  71  21.803  10.402  -5.496
  519   3HB   ALA  71          3HB       ALA  71  21.386   9.789  -7.096
  520    H    GLY  72           H        GLY  72  22.963  11.948  -7.719
  521   1HA   GLY  72          1HA       GLY  72  24.764  13.426  -5.898
  522   2HA   GLY  72          2HA       GLY  72  24.543  13.855  -7.589
  523    H    GLY  73           H        GLY  73  23.432  14.266  -4.405
  524   1HA   GLY  73          1HA       GLY  73  20.768  15.065  -4.903
  525   2HA   GLY  73          2HA       GLY  73  21.707  15.452  -3.469
  526    H    SER  74           H        SER  74  23.713  16.679  -5.517
  527    HA   SER  74           HA       SER  74  22.638  19.346  -5.329
  528   1HB   SER  74          2HB       SER  74  25.034  19.223  -6.909
  529   2HB   SER  74          1HB       SER  74  24.805  19.900  -5.296
  530    HG   SER  74           HG       SER  74  25.566  17.277  -6.039
  531    H    GLY  75           H        GLY  75  20.841  18.278  -6.807
  532   1HA   GLY  75          1HA       GLY  75  21.147  19.560  -9.375
  533   2HA   GLY  75          2HA       GLY  75  21.013  17.808  -9.470
  534    H    GLY  76           H        GLY  76  19.102  16.789  -8.727
  535   1HA   GLY  76          1HA       GLY  76  16.710  18.395  -9.071
  536   2HA   GLY  76          2HA       GLY  76  16.777  16.663  -8.761
  537    H    HIS  77           H        HIS  77  15.501  19.264  -7.507
  538    HA   HIS  77           HA       HIS  77  16.459  19.102  -4.790
  539   1HB   HIS  77          2HB       HIS  77  15.128  21.034  -6.288
  540   2HB   HIS  77          1HB       HIS  77  13.928  20.497  -5.117
  541    HD1  HIS  77           1HD      HIS  77  13.930  21.966  -3.136
  542    HD2  HIS  77           2HD      HIS  77  17.758  21.473  -4.697
  543    HE1  HIS  77           1HE      HIS  77  15.451  23.308  -1.648
  544    HE2  HIS  77           2HE      HIS  77  17.740  23.106  -2.684
  545    H    MET  78           H        MET  78  15.834  16.640  -5.162
  546    HA   MET  78           HA       MET  78  13.235  16.266  -3.824
  547   1HB   MET  78          2HB       MET  78  14.437  14.668  -6.080
  548   2HB   MET  78          1HB       MET  78  13.204  13.994  -5.024
  549   1HG   MET  78          2HG       MET  78  11.703  14.839  -6.406
  550   2HG   MET  78          1HG       MET  78  12.159  16.434  -5.808
  551   1HE   MET  78          1HE       MET  78  12.496  18.114  -7.068
  552   2HE   MET  78          2HE       MET  78  13.218  18.254  -8.671
  553   3HE   MET  78          3HE       MET  78  11.551  17.702  -8.498
  554    H    GLY  79           H        GLY  79  16.119  16.479  -2.961
  555   1HA   GLY  79          1HA       GLY  79  17.057  15.570  -1.004
  556   2HA   GLY  79          2HA       GLY  79  16.073  14.129  -1.222
  557    H    SER  80           H        SER  80  16.762  12.512  -2.635
  558    HA   SER  80           HA       SER  80  19.588  12.210  -2.797
  559   1HB   SER  80          2HB       SER  80  18.278  10.258  -4.387
  560   2HB   SER  80          1HB       SER  80  18.919  10.070  -2.753
  561    HG   SER  80           HG       SER  80  16.441   9.876  -3.395
  562    H    GLY  81           H        GLY  81  17.147  13.376  -4.923
  563   1HA   GLY  81          1HA       GLY  81  18.558  14.687  -6.749
  564   2HA   GLY  81          2HA       GLY  81  18.785  13.034  -7.303
  565    H    GLY  82           H        GLY  82  17.000  11.857  -8.075
  566   1HA   GLY  82          1HA       GLY  82  14.904  11.541  -8.974
  567   2HA   GLY  82          2HA       GLY  82  14.388  13.020  -8.179
  568    H    ASP  83           H        ASP  83  15.248  15.056  -9.180
  569    HA   ASP  83           HA       ASP  83  15.303  16.508 -10.914
  570   1HB   ASP  83          2HB       ASP  83  17.229  14.720 -11.523
  571   2HB   ASP  83          1HB       ASP  83  16.179  14.505 -12.918
  572    H    VAL  84           H        VAL  84  12.923  15.075 -10.364
  573    HA   VAL  84           HA       VAL  84  11.672  14.341 -12.845
  574    HB   VAL  84           HB       VAL  84   9.606  14.157 -11.595
  575   1HG1  VAL  84          1HG1      VAL  84  12.084  12.903 -10.639
  576   2HG1  VAL  84          2HG1      VAL  84  10.707  12.781  -9.546
  577   3HG1  VAL  84          3HG1      VAL  84  10.579  12.171 -11.195
  578   1HG2  VAL  84          1HG2      VAL  84   9.303  14.844  -9.357
  579   2HG2  VAL  84          2HG2      VAL  84  11.022  15.165  -9.142
  580   3HG2  VAL  84          3HG2      VAL  84  10.054  16.210 -10.179
  581    H    MET  85           H        MET  85   9.933  15.479 -13.844
  582    HA   MET  85           HA       MET  85   8.911  17.297 -14.741
  583   1HB   MET  85          2HB       MET  85   8.850  17.812 -12.024
  584   2HB   MET  85          1HB       MET  85   9.581  19.266 -12.689
  585   1HG   MET  85          2HG       MET  85   7.703  19.680 -14.071
  586   2HG   MET  85          1HG       MET  85   7.016  18.094 -13.721
  587   1HE   MET  85          1HE       MET  85   8.064  21.513 -11.545
  588   2HE   MET  85          2HE       MET  85   7.228  21.619 -13.094
  589   3HE   MET  85          3HE       MET  85   6.359  21.956 -11.597
  590    H    VAL  86           H        VAL  86  11.825  16.721 -14.972
  591    HA   VAL  86           HA       VAL  86  13.153  19.247 -15.214
  592    HB   VAL  86           HB       VAL  86  14.302  17.024 -14.808
  593   1HG1  VAL  86          1HG1      VAL  86  13.585  15.452 -16.271
  594   2HG1  VAL  86          2HG1      VAL  86  13.391  16.601 -17.593
  595   3HG1  VAL  86          3HG1      VAL  86  14.999  16.018 -17.161
  596   1HG2  VAL  86          1HG2      VAL  86  16.042  17.717 -16.817
  597   2HG2  VAL  86          2HG2      VAL  86  15.142  19.209 -16.541
  598   3HG2  VAL  86          3HG2      VAL  86  15.986  18.427 -15.203
  599    H    VAL  87           H        VAL  87  13.639  20.406 -17.058
  600    HA   VAL  87           HA       VAL  87  11.715  20.067 -19.207
  601    HB   VAL  87           HB       VAL  87  12.660  22.280 -20.009
  602   1HG1  VAL  87          1HG1      VAL  87  11.551  23.559 -18.150
  603   2HG1  VAL  87          2HG1      VAL  87  10.586  22.262 -18.855
  604   3HG1  VAL  87          3HG1      VAL  87  11.379  22.026 -17.298
  605   1HG2  VAL  87          1HG2      VAL  87  13.845  23.580 -18.188
  606   2HG2  VAL  87          2HG2      VAL  87  14.147  22.025 -17.409
  607   3HG2  VAL  87          3HG2      VAL  87  14.801  22.347 -19.016
  608    H    GLY  88           H        GLY  88  12.365  20.286 -21.463
  609   1HA   GLY  88          1HA       GLY  88  13.919  20.025 -23.232
  610   2HA   GLY  88          2HA       GLY  88  15.133  19.521 -22.063
  611    H    GLU  89           H        GLU  89  14.391  17.467 -20.818
  612    HA   GLU  89           HA       GLU  89  13.269  15.556 -22.759
  613   1HB   GLU  89          2HB       GLU  89  15.729  15.461 -21.203
  614   2HB   GLU  89          1HB       GLU  89  14.710  14.058 -20.908
  615   1HG   GLU  89          2HG       GLU  89  16.309  13.654 -22.697
  616   2HG   GLU  89          1HG       GLU  89  14.649  13.573 -23.283
  617    HA   PRO  90           HA       PRO  90  10.197  15.578 -19.532
  618   1HB   PRO  90          2HB       PRO  90   8.365  14.050 -20.833
  619   2HB   PRO  90          1HB       PRO  90   8.633  15.760 -21.189
  620   1HG   PRO  90          2HG       PRO  90   9.666  13.342 -22.623
  621   2HG   PRO  90          1HG       PRO  90   9.000  14.843 -23.295
  622   1HD   PRO  90          2HD       PRO  90  11.657  14.374 -23.161
  623   2HD   PRO  90          1HD       PRO  90  10.970  16.001 -22.995
  624    H    THR  91           H        THR  91   9.931  14.356 -17.806
  625    HA   THR  91           HA       THR  91  10.042  12.629 -16.345
  626    HB   THR  91           HB       THR  91   9.363  10.600 -18.397
  627    HG1  THR  91           1HG      THR  91   7.785  12.908 -17.826
  628   1HG2  THR  91          1HG2      THR  91   8.949  11.107 -15.589
  629   2HG2  THR  91          2HG2      THR  91   8.713   9.617 -16.500
  630   3HG2  THR  91          3HG2      THR  91   7.412  10.805 -16.397
  631    H    LEU  92           H        LEU  92  12.455  13.074 -16.604
  632    HA   LEU  92           HA       LEU  92  13.809  10.611 -17.494
  633   1HB   LEU  92          2HB       LEU  92  14.505  13.426 -17.712
  634   2HB   LEU  92          1HB       LEU  92  15.775  12.501 -16.934
  635    HG   LEU  92           HG       LEU  92  14.692  12.217 -19.721
  636   1HD1  LEU  92          1HD1      LEU  92  16.501  13.552 -19.938
  637   2HD1  LEU  92          2HD1      LEU  92  17.228  12.997 -18.430
  638   3HD1  LEU  92          3HD1      LEU  92  17.362  12.015 -19.888
  639   1HD2  LEU  92          1HD2      LEU  92  15.870  10.120 -17.992
  640   2HD2  LEU  92          2HD2      LEU  92  14.734   9.979 -19.334
  641   3HD2  LEU  92          3HD2      LEU  92  16.453  10.219 -19.653
  642    H    MET  93           H        MET  93  15.316   9.635 -16.087
  643    HA   MET  93           HA       MET  93  14.960  10.383 -13.264
  644   1HB   MET  93          2HB       MET  93  14.213   8.074 -14.136
  645   2HB   MET  93          1HB       MET  93  15.929   7.702 -14.236
  646   1HG   MET  93          2HG       MET  93  15.950   8.504 -11.752
  647   2HG   MET  93          1HG       MET  93  14.224   8.158 -11.839
  648   1HE   MET  93          1HE       MET  93  17.362   6.721 -10.569
  649   2HE   MET  93          2HE       MET  93  17.652   5.228 -11.462
  650   3HE   MET  93          3HE       MET  93  17.814   6.787 -12.272
  651    H    GLY  94           H        GLY  94  16.703  11.977 -14.312
  652   1HA   GLY  94          1HA       GLY  94  19.332  11.022 -14.658
  653   2HA   GLY  94          2HA       GLY  94  18.885  12.689 -14.326
  654    H    GLY  95           H        GLY  95  17.575  12.123 -11.836
  655   1HA   GLY  95          1HA       GLY  95  19.946  11.804 -10.153
  656   2HA   GLY  95          2HA       GLY  95  18.387  12.438  -9.641
  657    H    GLU  96           H        GLU  96  20.387   9.943  -9.207
  658    HA   GLU  96           HA       GLU  96  18.583   7.729  -9.383
  659   1HB   GLU  96          2HB       GLU  96  21.363   8.127  -8.831
  660   2HB   GLU  96          1HB       GLU  96  20.666   7.148  -7.548
  661   1HG   GLU  96          2HG       GLU  96  20.832   5.385  -8.860
  662   2HG   GLU  96          1HG       GLU  96  19.647   6.117  -9.941
  663    H    PHE  97           H        PHE  97  17.820   6.470  -7.571
  664    HA   PHE  97           HA       PHE  97  16.573   6.230  -5.695
  665   1HB   PHE  97          2HB       PHE  97  18.182   8.343  -4.291
  666   2HB   PHE  97          1HB       PHE  97  17.468   6.878  -3.633
  667    HD1  PHE  97           1HD      PHE  97  18.488   4.842  -5.519
  668    HD2  PHE  97           2HD      PHE  97  20.413   8.200  -3.751
  669    HE1  PHE  97           1HE      PHE  97  20.659   3.708  -5.735
  670    HE2  PHE  97           2HE      PHE  97  22.588   7.072  -3.966
  671    HZ   PHE  97           HZ       PHE  97  22.713   4.825  -4.964
  672    H    GLY  98           H        GLY  98  15.987   8.333  -7.676
  673   1HA   GLY  98          1HA       GLY  98  14.107   9.872  -6.017
  674   2HA   GLY  98          2HA       GLY  98  15.060  10.675  -7.260
  675    H    ASP  99           H        ASP  99  12.328   8.767  -6.557
  676    HA   ASP  99           HA       ASP  99  10.578   7.986  -7.741
  677   1HB   ASP  99          2HB       ASP  99  10.755  10.416  -8.668
  678   2HB   ASP  99          1HB       ASP  99  11.348   9.630 -10.128
  679    H    GLU 100           H        GLU 100  12.653   6.328  -7.694
  680    HA   GLU 100           HA       GLU 100  13.300   5.332 -10.333
  681   1HB   GLU 100          2HB       GLU 100  13.534   4.036  -7.602
  682   2HB   GLU 100          1HB       GLU 100  14.168   3.358  -9.094
  683   1HG   GLU 100          2HG       GLU 100  15.423   5.651  -9.232
  684   2HG   GLU 100          1HG       GLU 100  15.139   5.662  -7.491
  685    H    ASP 101           H        ASP 101  10.825   5.123  -8.035
  686    HA   ASP 101           HA       ASP 101   8.919   3.933  -9.682
  687   1HB   ASP 101          2HB       ASP 101  10.363   1.891  -9.137
  688   2HB   ASP 101          1HB       ASP 101   9.825   2.076  -7.472
  689    H    GLU 102           H        GLU 102   8.841   6.178  -8.359
  690    HA   GLU 102           HA       GLU 102   7.796   5.753  -5.670
  691   1HB   GLU 102          2HB       GLU 102   9.190   7.890  -7.098
  692   2HB   GLU 102          1HB       GLU 102   7.859   8.478  -6.114
  693   1HG   GLU 102          2HG       GLU 102   8.816   7.387  -4.156
  694   2HG   GLU 102          1HG       GLU 102  10.147   6.783  -5.142
  695    H    ARG 103           H        ARG 103   6.363   8.196  -5.494
  696    HA   ARG 103           HA       ARG 103   4.252   9.006  -5.645
  697   1HB   ARG 103          2HB       ARG 103   5.313   8.755  -8.318
  698   2HB   ARG 103          1HB       ARG 103   3.560   8.606  -8.327
  699   1HG   ARG 103          2HG       ARG 103   3.613  10.730  -6.855
  700   2HG   ARG 103          1HG       ARG 103   5.254  10.911  -7.476
  701   1HD   ARG 103          2HD       ARG 103   4.303  11.970  -9.195
  702   2HD   ARG 103          1HD       ARG 103   3.822  10.364  -9.743
  703    HE   ARG 103           HE       ARG 103   1.654  10.739  -8.878
  704   1HH1  ARG 103          2HH1      ARG 103   3.765  13.519  -8.520
  705   2HH1  ARG 103          1HH1      ARG 103   2.457  14.649  -8.346
  706   1HH2  ARG 103          2HH2      ARG 103  -0.074  12.225  -8.639
  707   2HH2  ARG 103          1HH2      ARG 103   0.271  13.919  -8.419
  708    H    LEU 104           H        LEU 104   4.491   6.160  -5.037
  709    HA   LEU 104           HA       LEU 104   2.233   4.913  -6.345
  710   1HB   LEU 104          2HB       LEU 104   4.079   3.990  -4.150
  711   2HB   LEU 104          1HB       LEU 104   2.737   3.033  -4.744
  712    HG   LEU 104           HG       LEU 104   4.762   4.006  -6.702
  713   1HD1  LEU 104          1HD1      LEU 104   5.554   1.445  -5.876
  714   2HD1  LEU 104          2HD1      LEU 104   6.447   2.958  -5.715
  715   3HD1  LEU 104          3HD1      LEU 104   5.396   2.413  -4.409
  716   1HD2  LEU 104          1HD2      LEU 104   4.117   2.098  -7.918
  717   2HD2  LEU 104          2HD2      LEU 104   3.363   1.356  -6.507
  718   3HD2  LEU 104          3HD2      LEU 104   2.623   2.765  -7.266
  719    H    ILE 105           H        ILE 105   2.853   6.694  -3.456
  720    HA   ILE 105           HA       ILE 105   0.451   5.696  -2.166
  721    HB   ILE 105           HB       ILE 105   2.399   7.755  -1.126
  722   1HG1  ILE 105          2HG1      ILE 105   2.200   4.790  -0.544
  723   1HG2  ILE 105          1HG2      ILE 105   0.110   7.824  -0.168
  724   2HG2  ILE 105          2HG2      ILE 105   0.310   6.145   0.336
  725   3HG2  ILE 105          3HG2      ILE 105   1.354   7.398   1.010
  726   1HD1  ILE 105          1HD1      ILE 105   4.084   5.017   0.886
  727   2HD1  ILE 105          2HD1      ILE 105   4.239   6.731   0.506
  728   3HD1  ILE 105          3HD1      ILE 105   2.853   6.156   1.433
  729    H    THR 106           H        THR 106  -1.402   6.570  -2.430
  730    HA   THR 106           HA       THR 106  -1.652   9.381  -3.264
  731    HB   THR 106           HB       THR 106  -4.052   7.660  -3.256
  732    HG1  THR 106           1HG      THR 106  -1.767   7.069  -4.837
  733   1HG2  THR 106          1HG2      THR 106  -4.575   9.522  -4.407
  734   2HG2  THR 106          2HG2      THR 106  -3.831   8.663  -5.754
  735   3HG2  THR 106          3HG2      THR 106  -2.897   9.852  -4.845
  736    H    ARG 107           H        ARG 107  -2.465  10.807  -1.796
  737    HA   ARG 107           HA       ARG 107  -3.726   9.692   0.627
  738   1HB   ARG 107          2HB       ARG 107  -1.876  10.890   1.400
  739   2HB   ARG 107          1HB       ARG 107  -2.039  12.131   0.167
  740   1HG   ARG 107          2HG       ARG 107  -2.759  13.306   1.965
  741   2HG   ARG 107          1HG       ARG 107  -4.297  12.609   1.456
  742   1HD   ARG 107          2HD       ARG 107  -4.472  11.885   3.562
  743   2HD   ARG 107          1HD       ARG 107  -3.282  10.667   3.103
  744    HE   ARG 107           HE       ARG 107  -1.632  11.848   4.247
  745   1HH1  ARG 107          2HH1      ARG 107  -4.729  13.499   4.402
  746   2HH1  ARG 107          1HH1      ARG 107  -4.184  14.675   5.571
  747   1HH2  ARG 107          2HH2      ARG 107  -0.922  13.378   5.779
  748   2HH2  ARG 107          1HH2      ARG 107  -2.029  14.583   6.382
  749    H    LEU 108           H        LEU 108  -5.840   9.650   0.226
  750    HA   LEU 108           HA       LEU 108  -7.173  12.168  -0.358
  751   1HB   LEU 108          2HB       LEU 108  -6.720  10.744  -2.493
  752   2HB   LEU 108          1HB       LEU 108  -8.022   9.739  -1.886
  753    HG   LEU 108           HG       LEU 108  -8.749  12.555  -1.908
  754   1HD1  LEU 108          1HD1      LEU 108  -7.371  11.480  -4.232
  755   2HD1  LEU 108          2HD1      LEU 108  -8.994  12.064  -4.596
  756   3HD1  LEU 108          3HD1      LEU 108  -7.817  13.140  -3.844
  757   1HD2  LEU 108          1HD2      LEU 108 -10.739  11.712  -2.925
  758   2HD2  LEU 108          2HD2      LEU 108  -9.945  10.193  -3.343
  759   3HD2  LEU 108          3HD2      LEU 108 -10.261  10.586  -1.652
  760    H    GLU 109           H        GLU 109  -8.274  12.340   1.455
  761    HA   GLU 109           HA       GLU 109  -9.423  10.161   2.876
  762   1HB   GLU 109          2HB       GLU 109 -10.031  13.119   3.082
  763   2HB   GLU 109          1HB       GLU 109 -10.444  11.894   4.273
  764   1HG   GLU 109          2HG       GLU 109  -8.559  12.897   5.164
  765   2HG   GLU 109          1HG       GLU 109  -7.919  11.448   4.395
  766    H    ASN 110           H        ASN 110 -11.832  10.164   3.393
  767    HA   ASN 110           HA       ASN 110 -13.325   9.421   1.244
  768   1HB   ASN 110          2HB       ASN 110 -13.863   9.324   3.809
  769   2HB   ASN 110          1HB       ASN 110 -14.719  10.829   3.492
  770   1HD2  ASN 110          1HD2      ASN 110 -16.513   9.413   4.249
  771   2HD2  ASN 110          2HD2      ASN 110 -17.365   8.493   3.060
  772    H    THR 111           H        THR 111 -13.503  10.559  -0.545
  773    HA   THR 111           HA       THR 111 -14.293  12.099  -2.022
  774    HB   THR 111           HB       THR 111 -15.315  13.686   0.336
  775    HG1  THR 111           1HG      THR 111 -16.825  12.220   0.437
  776   1HG2  THR 111          1HG2      THR 111 -14.996  14.705  -2.062
  777   2HG2  THR 111          2HG2      THR 111 -16.477  15.008  -1.152
  778   3HG2  THR 111          3HG2      THR 111 -16.458  13.784  -2.421
  779    H    GLN 112           H        GLN 112 -12.983  13.605   0.907
  780    HA   GLN 112           HA       GLN 112 -11.289  15.031   1.303
  781   1HB   GLN 112          2HB       GLN 112  -9.861  13.518   0.078
  782   2HB   GLN 112          1HB       GLN 112 -10.383  14.203  -1.457
  783   1HG   GLN 112          2HG       GLN 112  -9.305  16.302  -0.924
  784   2HG   GLN 112          1HG       GLN 112  -8.860  15.695   0.670
  785   1HE2  GLN 112          1HE2      GLN 112  -7.212  14.213   0.867
  786   2HE2  GLN 112          2HE2      GLN 112  -6.096  13.887  -0.424
  787    H    PHE 113           H        PHE 113 -11.688  15.638  -2.181
  788    HA   PHE 113           HA       PHE 113 -11.584  18.423  -1.993
  789   1HB   PHE 113          2HB       PHE 113 -11.712  16.586  -4.043
  790   2HB   PHE 113          1HB       PHE 113 -13.253  17.425  -4.186
  791    HD1  PHE 113           1HD      PHE 113 -10.081  17.374  -5.424
  792    HD2  PHE 113           2HD      PHE 113 -12.882  20.123  -3.781
  793    HE1  PHE 113           1HE      PHE 113  -8.958  19.217  -6.605
  794    HE2  PHE 113           2HE      PHE 113 -11.764  21.972  -4.960
  795    HZ   PHE 113           HZ       PHE 113  -9.798  21.520  -6.372
  796    H    ASP 114           H        ASP 114 -12.897  19.610  -0.819
  797    HA   ASP 114           HA       ASP 114 -14.748  20.617   0.005
  798   1HB   ASP 114          2HB       ASP 114 -15.295  20.166  -2.683
  799   2HB   ASP 114          1HB       ASP 114 -16.727  19.569  -1.851
  800    H    ALA 115           H        ALA 115 -14.077  18.093   1.074
  801    HA   ALA 115           HA       ALA 115 -16.692  16.874   1.605
  802   1HB   ALA 115          1HB       ALA 115 -15.027  15.274   0.970
  803   2HB   ALA 115          2HB       ALA 115 -13.897  15.903   2.171
  804   3HB   ALA 115          3HB       ALA 115 -15.359  15.066   2.690
  805    H    ALA 116           H        ALA 116 -17.660  17.017   3.544
  806    HA   ALA 116           HA       ALA 116 -16.660  18.977   5.393
  807   1HB   ALA 116          1HB       ALA 116 -18.758  18.876   6.429
  808   2HB   ALA 116          2HB       ALA 116 -19.085  18.616   4.715
  809   3HB   ALA 116          3HB       ALA 116 -19.072  17.247   5.828
  810    H    ASN 117           H        ASN 117 -16.954  15.479   5.332
  811    HA   ASN 117           HA       ASN 117 -15.868  15.359   8.058
  812   1HB   ASN 117          2HB       ASN 117 -17.945  14.053   7.562
  813   2HB   ASN 117          1HB       ASN 117 -17.018  13.098   6.409
  814   1HD2  ASN 117          1HD2      ASN 117 -16.246  14.304   9.659
  815   2HD2  ASN 117          2HD2      ASN 117 -15.898  12.745  10.327
  816    H    GLY 118           H        GLY 118 -15.331  14.222   4.757
  817   1HA   GLY 118          1HA       GLY 118 -12.754  13.068   5.451
  818   2HA   GLY 118          2HA       GLY 118 -13.458  13.156   3.841
  819    H    ILE 119           H        ILE 119 -12.495  15.493   6.342
  820    HA   ILE 119           HA       ILE 119 -11.635  17.352   4.326
  821    HB   ILE 119           HB       ILE 119 -12.612  18.447   6.129
  822   1HG1  ILE 119          2HG1      ILE 119  -9.675  18.573   6.839
  823   1HG2  ILE 119          1HG2      ILE 119 -12.898  17.005   7.861
  824   2HG2  ILE 119          2HG2      ILE 119 -11.246  16.396   7.776
  825   3HG2  ILE 119          3HG2      ILE 119 -11.573  17.960   8.523
  826   1HD1  ILE 119          1HD1      ILE 119 -11.214  19.825   8.338
  827   2HD1  ILE 119          2HD1      ILE 119 -10.045  20.828   7.480
  828   3HD1  ILE 119          3HD1      ILE 119 -11.721  20.766   6.937
  829    H    ASP 120           H        ASP 120 -10.006  15.634   6.991
  830    HA   ASP 120           HA       ASP 120  -7.638  15.169   5.480
  831   1HB   ASP 120          2HB       ASP 120  -7.667  17.710   6.336
  832   2HB   ASP 120          1HB       ASP 120  -7.070  16.948   7.806
  833    H    ASP 121           H        ASP 121  -5.830  14.498   7.164
  834    HA   ASP 121           HA       ASP 121  -7.061  13.186   9.486
  835   1HB   ASP 121          2HB       ASP 121  -6.902  11.463   7.741
  836   2HB   ASP 121          1HB       ASP 121  -5.184  11.806   7.552
  837    H    GLU 122           H        GLU 122  -4.098  14.120   7.815
  838    HA   GLU 122           HA       GLU 122  -2.923  14.804  10.406
  839   1HB   GLU 122          2HB       GLU 122  -2.066  12.570   9.513
  840   2HB   GLU 122          1HB       GLU 122  -1.327  13.485   8.208
  841   1HG   GLU 122          2HG       GLU 122   0.300  13.021   9.921
  842   2HG   GLU 122          1HG       GLU 122  -0.021  14.753   9.849
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -11.164  -8.412 -14.681
    2   2H    GLY   1          2H        GLY   1 -12.104  -8.567 -16.083
    3   3H    GLY   1          3H        GLY   1 -12.142  -9.779 -14.897
    4   1HA   GLY   1          2HA       GLY   1 -13.264  -7.047 -14.758
    5   2HA   GLY   1          1HA       GLY   1 -14.114  -8.579 -14.595
    6    H    SER   2           H        SER   2 -14.562  -6.781 -12.663
    7    HA   SER   2           HA       SER   2 -12.726  -6.965 -10.484
    8   1HB   SER   2          2HB       SER   2 -15.314  -6.309  -9.521
    9   2HB   SER   2          1HB       SER   2 -13.966  -5.213  -9.828
   10    HG   SER   2           HG       SER   2 -16.162  -5.867 -11.461
   11    H    LEU   3           H        LEU   3 -12.934  -8.152  -8.572
   12    HA   LEU   3           HA       LEU   3 -14.873 -10.367  -8.639
   13   1HB   LEU   3          2HB       LEU   3 -12.283 -10.760  -9.254
   14   2HB   LEU   3          1HB       LEU   3 -12.198 -10.930  -7.510
   15    HG   LEU   3           HG       LEU   3 -14.381 -12.499  -8.242
   16   1HD1  LEU   3          1HD1      LEU   3 -12.683 -13.937  -9.882
   17   2HD1  LEU   3          2HD1      LEU   3 -14.116 -13.041 -10.383
   18   3HD1  LEU   3          3HD1      LEU   3 -12.530 -12.276 -10.459
   19   1HD2  LEU   3          1HD2      LEU   3 -12.181 -12.740  -6.700
   20   2HD2  LEU   3          2HD2      LEU   3 -13.261 -14.077  -7.089
   21   3HD2  LEU   3          3HD2      LEU   3 -11.774 -13.847  -8.010
   22    H    SER   4           H        SER   4 -12.377  -8.881  -6.571
   23    HA   SER   4           HA       SER   4 -14.313  -8.972  -4.355
   24   1HB   SER   4          2HB       SER   4 -11.490  -9.032  -3.555
   25   2HB   SER   4          1HB       SER   4 -12.845 -10.007  -2.983
   26    HG   SER   4           HG       SER   4 -11.249 -10.406  -5.300
   27    H    TRP   5           H        TRP   5 -13.576  -7.420  -2.543
   28    HA   TRP   5           HA       TRP   5 -13.401  -4.812  -3.708
   29   1HB   TRP   5          2HB       TRP   5 -14.343  -5.857  -1.301
   30   2HB   TRP   5          1HB       TRP   5 -12.953  -4.879  -0.837
   31    HD1  TRP   5           HD       TRP   5 -15.146  -3.858  -3.797
   32    HE1  TRP   5           1HE      TRP   5 -16.369  -1.669  -3.210
   33    HE3  TRP   5           3HE      TRP   5 -13.840  -3.496   1.132
   34    HZ2  TRP   5           2HZ      TRP   5 -16.737  -0.017  -0.949
   35    HZ3  TRP   5           3HZ      TRP   5 -14.668  -1.583   2.438
   36    HH2  TRP   5           HH       TRP   5 -16.087   0.122   1.418
   37    H    LYS   6           H        LYS   6 -11.821  -3.193  -2.996
   38    HA   LYS   6           HA       LYS   6  -9.222  -3.989  -3.609
   39   1HB   LYS   6          2HB       LYS   6 -10.500  -1.498  -2.670
   40   2HB   LYS   6          1HB       LYS   6  -8.766  -1.623  -2.413
   41   1HG   LYS   6          2HG       LYS   6  -8.984  -0.539  -4.465
   42   2HG   LYS   6          1HG       LYS   6  -8.608  -2.210  -4.887
   43   1HD   LYS   6          2HD       LYS   6 -10.364  -1.510  -6.329
   44   2HD   LYS   6          1HD       LYS   6 -11.082  -2.596  -5.138
   45   1HE   LYS   6          2HE       LYS   6 -12.256  -0.923  -4.117
   46   2HE   LYS   6          1HE       LYS   6 -11.071   0.315  -4.531
   47   1HZ   LYS   6          1HZ       LYS   6 -13.031   0.709  -5.798
   48   2HZ   LYS   6          2HZ       LYS   6 -13.098  -0.900  -6.329
   49   3HZ   LYS   6          3HZ       LYS   6 -11.854   0.120  -6.869
   50    H    ARG   7           H        ARG   7 -10.565  -2.949  -0.593
   51    HA   ARG   7           HA       ARG   7 -10.114  -3.370   1.590
   52   1HB   ARG   7          2HB       ARG   7 -10.197  -5.758   0.540
   53   2HB   ARG   7          1HB       ARG   7  -8.462  -5.744   0.813
   54   1HG   ARG   7          2HG       ARG   7  -9.304  -4.951   3.233
   55   2HG   ARG   7          1HG       ARG   7 -10.682  -5.933   2.733
   56   1HD   ARG   7          2HD       ARG   7  -8.953  -7.192   3.995
   57   2HD   ARG   7          1HD       ARG   7  -9.282  -7.840   2.390
   58    HE   ARG   7           HE       ARG   7  -6.932  -6.146   2.984
   59   1HH1  ARG   7          2HH1      ARG   7  -8.452  -8.875   1.395
   60   2HH1  ARG   7          1HH1      ARG   7  -6.972  -9.448   0.679
   61   1HH2  ARG   7          2HH2      ARG   7  -4.987  -6.892   2.043
   62   2HH2  ARG   7          1HH2      ARG   7  -4.999  -8.316   1.045
   63    H    CYS   8           H        CYS   8  -8.332  -3.605   3.225
   64    HA   CYS   8           HA       CYS   8  -6.117  -1.945   2.455
   65   1HB   CYS   8          2HB       CYS   8  -7.132  -1.624   4.647
   66   2HB   CYS   8          1HB       CYS   8  -6.775  -3.293   5.081
   67    H    ALA   9           H        ALA   9  -4.124  -2.569   1.998
   68    HA   ALA   9           HA       ALA   9  -3.521  -5.438   2.050
   69   1HB   ALA   9          1HB       ALA   9  -2.121  -5.111   0.291
   70   2HB   ALA   9          2HB       ALA   9  -3.171  -3.718   0.039
   71   3HB   ALA   9          3HB       ALA   9  -1.616  -3.515   0.845
   72    H    GLY  10           H        GLY  10  -3.381  -3.082   4.177
   73   1HA   GLY  10          1HA       GLY  10  -0.618  -3.515   5.065
   74   2HA   GLY  10          2HA       GLY  10  -1.723  -2.296   5.677
   75    H    CYS  11           H        CYS  11  -3.952  -4.034   6.132
   76    HA   CYS  11           HA       CYS  11  -2.850  -5.782   8.223
   77   1HB   CYS  11          2HB       CYS  11  -4.866  -5.285   9.601
   78   2HB   CYS  11          1HB       CYS  11  -3.821  -3.895   9.359
   79    H    GLY  12           H        GLY  12  -6.216  -5.406   7.618
   80   1HA   GLY  12          1HA       GLY  12  -6.723  -7.315   5.670
   81   2HA   GLY  12          2HA       GLY  12  -6.634  -8.179   7.202
   82    H    GLY  13           H        GLY  13  -8.070  -5.218   5.868
   83   1HA   GLY  13          1HA       GLY  13 -10.654  -5.942   6.953
   84   2HA   GLY  13          2HA       GLY  13  -9.877  -4.535   7.676
   85    H    LYS  14           H        LYS  14 -12.018  -5.474   5.448
   86    HA   LYS  14           HA       LYS  14 -11.476  -3.896   3.196
   87   1HB   LYS  14          2HB       LYS  14 -13.916  -5.180   4.347
   88   2HB   LYS  14          1HB       LYS  14 -14.135  -3.984   3.077
   89   1HG   LYS  14          2HG       LYS  14 -13.535  -5.430   1.502
   90   2HG   LYS  14          1HG       LYS  14 -12.077  -5.892   2.382
   91   1HD   LYS  14          2HD       LYS  14 -13.015  -7.848   2.857
   92   2HD   LYS  14          1HD       LYS  14 -14.266  -7.006   3.772
   93   1HE   LYS  14          2HE       LYS  14 -15.388  -6.644   1.479
   94   2HE   LYS  14          1HE       LYS  14 -14.308  -7.921   0.918
   95   1HZ   LYS  14          1HZ       LYS  14 -16.067  -9.180   1.557
   96   2HZ   LYS  14          2HZ       LYS  14 -16.591  -8.078   2.733
   97   3HZ   LYS  14          3HZ       LYS  14 -15.276  -9.102   3.058
   98    H    ILE  15           H        ILE  15 -10.859  -1.832   3.698
   99    HA   ILE  15           HA       ILE  15 -12.113  -0.204   5.606
  100    HB   ILE  15           HB       ILE  15 -10.883   1.315   3.446
  101   1HG1  ILE  15          2HG1      ILE  15  -9.234  -0.839   4.802
  102   1HG2  ILE  15          1HG2      ILE  15 -11.212   1.454   6.209
  103   2HG2  ILE  15          2HG2      ILE  15  -9.475   1.294   5.958
  104   3HG2  ILE  15          3HG2      ILE  15 -10.362   2.604   5.177
  105   1HD1  ILE  15          1HD1      ILE  15  -8.439   1.690   3.712
  106   2HD1  ILE  15          2HD1      ILE  15  -7.461   0.443   4.490
  107   3HD1  ILE  15          3HD1      ILE  15  -7.771   0.369   2.755
  108    H    ALA  16           H        ALA  16 -14.189   0.268   5.479
  109    HA   ALA  16           HA       ALA  16 -15.417   0.917   2.909
  110   1HB   ALA  16          1HB       ALA  16 -16.735  -0.562   4.182
  111   2HB   ALA  16          2HB       ALA  16 -16.518   0.383   5.654
  112   3HB   ALA  16          3HB       ALA  16 -17.519   1.010   4.344
  113    H    ASP  17           H        ASP  17 -13.853   2.468   5.378
  114    HA   ASP  17           HA       ASP  17 -15.371   4.811   5.743
  115   1HB   ASP  17          2HB       ASP  17 -12.672   3.894   6.414
  116   2HB   ASP  17          1HB       ASP  17 -12.766   5.626   6.116
  117    H    ARG  18           H        ARG  18 -14.997   6.921   4.966
  118    HA   ARG  18           HA       ARG  18 -14.381   6.998   2.141
  119   1HB   ARG  18          2HB       ARG  18 -15.223   9.300   2.240
  120   2HB   ARG  18          1HB       ARG  18 -16.355   8.182   2.987
  121   1HG   ARG  18          2HG       ARG  18 -14.517   9.246   4.935
  122   2HG   ARG  18          1HG       ARG  18 -15.342  10.539   4.065
  123   1HD   ARG  18          2HD       ARG  18 -17.049  10.219   5.465
  124   2HD   ARG  18          1HD       ARG  18 -17.353   8.714   4.597
  125    HE   ARG  18           HE       ARG  18 -16.295   7.519   6.314
  126   1HH1  ARG  18          2HH1      ARG  18 -16.608  10.937   7.046
  127   2HH1  ARG  18          1HH1      ARG  18 -16.029  10.766   8.678
  128   1HH2  ARG  18          2HH2      ARG  18 -15.529   7.295   8.436
  129   2HH2  ARG  18          1HH2      ARG  18 -15.470   8.688   9.483
  130    H    PHE  19           H        PHE  19 -12.470   6.964   4.683
  131    HA   PHE  19           HA       PHE  19 -10.547   8.888   3.558
  132   1HB   PHE  19          2HB       PHE  19 -10.805   8.080   6.467
  133   2HB   PHE  19          1HB       PHE  19  -9.633   9.211   5.810
  134    HD1  PHE  19           1HD      PHE  19 -11.567  10.685   3.959
  135    HD2  PHE  19           2HD      PHE  19 -11.833   9.491   8.034
  136    HE1  PHE  19           1HE      PHE  19 -13.111  12.545   4.399
  137    HE2  PHE  19           2HE      PHE  19 -13.381  11.348   8.481
  138    HZ   PHE  19           HZ       PHE  19 -14.024  12.877   6.662
  139    H    LEU  20           H        LEU  20  -9.571   7.271   2.259
  140    HA   LEU  20           HA       LEU  20  -8.068   5.267   3.793
  141   1HB   LEU  20          2HB       LEU  20  -8.504   4.191   1.216
  142   2HB   LEU  20          1HB       LEU  20  -9.057   3.568   2.756
  143    HG   LEU  20           HG       LEU  20 -11.078   5.141   2.457
  144   1HD1  LEU  20          1HD1      LEU  20 -11.191   6.404   0.644
  145   2HD1  LEU  20          2HD1      LEU  20  -9.609   5.812   0.134
  146   3HD1  LEU  20          3HD1      LEU  20 -11.073   4.974  -0.381
  147   1HD2  LEU  20          1HD2      LEU  20 -12.074   3.457   0.751
  148   2HD2  LEU  20          2HD2      LEU  20 -10.524   2.636   0.911
  149   3HD2  LEU  20          3HD2      LEU  20 -11.546   2.873   2.329
  150    H    LEU  21           H        LEU  21  -6.211   4.395   2.593
  151    HA   LEU  21           HA       LEU  21  -4.944   6.472   0.937
  152   1HB   LEU  21          2HB       LEU  21  -3.982   5.241   3.174
  153   2HB   LEU  21          1HB       LEU  21  -3.320   4.218   1.912
  154    HG   LEU  21           HG       LEU  21  -2.994   7.174   1.679
  155   1HD1  LEU  21          1HD1      LEU  21  -0.747   6.701   2.900
  156   2HD1  LEU  21          2HD1      LEU  21  -2.203   7.063   3.828
  157   3HD1  LEU  21          3HD1      LEU  21  -1.657   5.394   3.657
  158   1HD2  LEU  21          1HD2      LEU  21  -1.990   6.335  -0.146
  159   2HD2  LEU  21          2HD2      LEU  21  -0.666   5.987   0.964
  160   3HD2  LEU  21          3HD2      LEU  21  -1.828   4.727   0.555
  161    H    TYR  22           H        TYR  22  -4.011   5.883  -1.027
  162    HA   TYR  22           HA       TYR  22  -4.962   3.300  -2.098
  163   1HB   TYR  22          2HB       TYR  22  -4.517   5.914  -3.548
  164   2HB   TYR  22          1HB       TYR  22  -5.019   4.418  -4.309
  165    HD1  TYR  22           1HD      TYR  22  -6.147   6.509  -1.408
  166    HD2  TYR  22           2HD      TYR  22  -7.208   4.376  -4.929
  167    HE1  TYR  22           1HE      TYR  22  -8.484   7.205  -1.111
  168    HE2  TYR  22           2HE      TYR  22  -9.551   5.063  -4.640
  169    HH   TYR  22           HH       TYR  22 -10.542   7.193  -1.966
  170    H    ALA  23           H        ALA  23  -3.390   1.918  -2.651
  171    HA   ALA  23           HA       ALA  23  -1.034   2.921  -3.961
  172   1HB   ALA  23          1HB       ALA  23  -0.885   1.704  -1.237
  173   2HB   ALA  23          2HB       ALA  23   0.446   1.503  -2.376
  174   3HB   ALA  23          3HB       ALA  23  -0.051   3.118  -1.877
  175    H    MET  24           H        MET  24  -0.501   1.626  -5.568
  176    HA   MET  24           HA       MET  24  -0.367  -0.162  -6.954
  177   1HB   MET  24          2HB       MET  24  -0.111  -1.361  -4.286
  178   2HB   MET  24          1HB       MET  24  -0.702  -2.473  -5.513
  179   1HG   MET  24          2HG       MET  24   1.285  -1.610  -6.916
  180   2HG   MET  24          1HG       MET  24   1.913  -1.036  -5.371
  181   1HE   MET  24          1HE       MET  24   2.338  -2.557  -3.314
  182   2HE   MET  24          2HE       MET  24   0.804  -3.424  -3.383
  183   3HE   MET  24          3HE       MET  24   2.324  -4.322  -3.327
  184    H    ASP  25           H        ASP  25  -2.850   1.093  -6.540
  185    HA   ASP  25           HA       ASP  25  -5.035   0.913  -7.077
  186   1HB   ASP  25          2HB       ASP  25  -3.822  -1.358  -8.463
  187   2HB   ASP  25          1HB       ASP  25  -5.527  -1.602  -8.091
  188    H    SER  26           H        SER  26  -3.760  -0.434  -4.579
  189    HA   SER  26           HA       SER  26  -6.271  -1.670  -3.685
  190   1HB   SER  26          2HB       SER  26  -3.803  -2.233  -2.137
  191   2HB   SER  26          1HB       SER  26  -5.154  -3.298  -2.531
  192    HG   SER  26           HG       SER  26  -3.667  -2.523  -4.711
  193    H    TYR  27           H        TYR  27  -6.432  -1.421  -1.172
  194    HA   TYR  27           HA       TYR  27  -5.845   1.409  -0.658
  195   1HB   TYR  27          2HB       TYR  27  -8.057  -0.342   0.420
  196   2HB   TYR  27          1HB       TYR  27  -7.753   1.309   0.946
  197    HD1  TYR  27           1HD      TYR  27 -10.368   0.553  -0.091
  198    HD2  TYR  27           2HD      TYR  27  -6.887   1.846  -2.192
  199    HE1  TYR  27           1HE      TYR  27 -11.784   1.375  -1.924
  200    HE2  TYR  27           2HE      TYR  27  -8.305   2.668  -4.020
  201    HH   TYR  27           HH       TYR  27 -11.750   2.867  -3.755
  202    H    TRP  28           H        TRP  28  -5.372   2.038   1.500
  203    HA   TRP  28           HA       TRP  28  -4.209  -0.049   3.202
  204   1HB   TRP  28          2HB       TRP  28  -2.765   2.400   2.149
  205   2HB   TRP  28          1HB       TRP  28  -2.179   1.425   3.487
  206    HD1  TRP  28           HD       TRP  28  -2.979   1.011  -0.282
  207    HE1  TRP  28           1HE      TRP  28  -1.353  -0.730  -1.249
  208    HE3  TRP  28           3HE      TRP  28  -0.601  -0.342   4.031
  209    HZ2  TRP  28           2HZ      TRP  28   0.679  -2.451  -0.301
  210    HZ3  TRP  28           3HZ      TRP  28   1.173  -2.041   3.915
  211    HH2  TRP  28           HH       TRP  28   1.796  -3.073   1.796
  212    H    HIS  29           H        HIS  29  -3.594   0.815   5.322
  213    HA   HIS  29           HA       HIS  29  -5.273   3.084   6.164
  214   1HB   HIS  29          2HB       HIS  29  -4.036   0.793   7.683
  215   2HB   HIS  29          1HB       HIS  29  -4.477   2.283   8.506
  216    HD2  HIS  29           2HD      HIS  29  -7.347   2.912   8.132
  217    HE1  HIS  29           1HE      HIS  29  -8.239  -1.225   7.945
  218    HE2  HIS  29           2HE      HIS  29  -9.151   1.079   8.514
  219    H    SER  30           H        SER  30  -4.125   4.590   7.708
  220    HA   SER  30           HA       SER  30  -1.736   5.518   6.540
  221   1HB   SER  30          2HB       SER  30  -2.188   6.407   9.291
  222   2HB   SER  30          1HB       SER  30  -2.118   7.345   7.797
  223    HG   SER  30           HG       SER  30  -4.208   7.326   8.881
  224    H    ARG  31           H        ARG  31  -2.372   3.691   9.497
  225    HA   ARG  31           HA       ARG  31   0.435   3.533  10.164
  226   1HB   ARG  31          2HB       ARG  31  -1.419   3.623  11.864
  227   2HB   ARG  31          1HB       ARG  31  -1.858   1.992  11.382
  228   1HG   ARG  31          2HG       ARG  31  -0.543   1.823  13.344
  229   2HG   ARG  31          1HG       ARG  31   0.461   1.275  11.999
  230   1HD   ARG  31          2HD       ARG  31   1.388   3.625  11.909
  231   2HD   ARG  31          1HD       ARG  31   0.583   3.904  13.455
  232    HE   ARG  31           HE       ARG  31   1.931   2.048  14.346
  233   1HH1  ARG  31          2HH1      ARG  31   3.031   3.754  11.488
  234   2HH1  ARG  31          1HH1      ARG  31   4.670   3.202  11.645
  235   1HH2  ARG  31          2HH2      ARG  31   4.064   1.316  14.546
  236   2HH2  ARG  31          1HH2      ARG  31   5.263   1.826  13.390
  237    H    CYS  32           H        CYS  32  -1.678   1.832   8.139
  238    HA   CYS  32           HA       CYS  32  -0.299  -0.703   8.360
  239   1HB   CYS  32          2HB       CYS  32  -2.553   0.286   6.625
  240   2HB   CYS  32          1HB       CYS  32  -1.826  -1.306   6.417
  241    H    LEU  33           H        LEU  33  -0.449   2.045   6.168
  242    HA   LEU  33           HA       LEU  33   1.559   0.874   4.410
  243   1HB   LEU  33          2HB       LEU  33  -0.218   2.381   3.500
  244   2HB   LEU  33          1HB       LEU  33   0.474   3.696   4.434
  245    HG   LEU  33           HG       LEU  33   2.626   3.335   3.167
  246   1HD1  LEU  33          1HD1      LEU  33   0.840   1.602   1.469
  247   2HD1  LEU  33          2HD1      LEU  33   2.442   2.176   1.003
  248   3HD1  LEU  33          3HD1      LEU  33   2.260   1.085   2.378
  249   1HD2  LEU  33          1HD2      LEU  33   0.391   4.805   2.558
  250   2HD2  LEU  33          2HD2      LEU  33   1.985   4.983   1.822
  251   3HD2  LEU  33          3HD2      LEU  33   0.759   3.984   1.041
  252    H    LYS  34           H        LYS  34   2.820   0.533   6.392
  253    HA   LYS  34           HA       LYS  34   4.326   2.929   7.209
  254   1HB   LYS  34          2HB       LYS  34   4.346   2.196   9.389
  255   2HB   LYS  34          1HB       LYS  34   2.776   1.604   8.867
  256   1HG   LYS  34          2HG       LYS  34   5.120  -0.200   8.580
  257   2HG   LYS  34          1HG       LYS  34   4.466   0.081  10.194
  258   1HD   LYS  34          2HD       LYS  34   2.431  -0.890   9.682
  259   2HD   LYS  34          1HD       LYS  34   2.624  -0.622   7.949
  260   1HE   LYS  34          2HE       LYS  34   3.831  -2.511   7.652
  261   2HE   LYS  34          1HE       LYS  34   4.609  -2.394   9.230
  262   1HZ   LYS  34          1HZ       LYS  34   2.967  -3.565  10.231
  263   2HZ   LYS  34          2HZ       LYS  34   2.774  -4.206   8.671
  264   3HZ   LYS  34          3HZ       LYS  34   1.745  -2.973   9.208
  265    H    CYS  35           H        CYS  35   6.402   2.505   8.035
  266    HA   CYS  35           HA       CYS  35   8.295   1.570   6.334
  267   1HB   CYS  35          2HB       CYS  35   7.948   2.169   9.181
  268   2HB   CYS  35          1HB       CYS  35   9.285   1.106   8.860
  269    H    SER  36           H        SER  36   8.684  -0.429   5.562
  270    HA   SER  36           HA       SER  36   7.267  -2.678   6.256
  271   1HB   SER  36          2HB       SER  36   9.768  -3.460   5.093
  272   2HB   SER  36          1HB       SER  36   8.174  -3.368   4.339
  273    HG   SER  36           HG       SER  36   8.711  -1.547   3.438
  274    H    SER  37           H        SER  37  10.608  -1.910   7.180
  275    HA   SER  37           HA       SER  37  10.513  -4.186   9.041
  276   1HB   SER  37          2HB       SER  37  12.964  -2.853   7.871
  277   2HB   SER  37          1HB       SER  37  12.894  -4.374   8.760
  278    HG   SER  37           HG       SER  37  13.001  -4.778   6.536
  279    H    CYS  38           H        CYS  38  10.896  -0.810   8.782
  280    HA   CYS  38           HA       CYS  38  12.254  -0.556  11.320
  281   1HB   CYS  38          2HB       CYS  38  11.509   1.908   9.991
  282   2HB   CYS  38          1HB       CYS  38  13.113   1.262  10.331
  283    H    GLN  39           H        GLN  39   9.109  -0.449  10.094
  284    HA   GLN  39           HA       GLN  39   7.065   0.052  10.887
  285   1HB   GLN  39          2HB       GLN  39   8.277  -0.366  13.612
  286   2HB   GLN  39          1HB       GLN  39   6.593  -0.583  13.138
  287   1HG   GLN  39          2HG       GLN  39   8.911  -2.225  12.129
  288   2HG   GLN  39          1HG       GLN  39   7.800  -2.705  13.411
  289   1HE2  GLN  39          1HE2      GLN  39   8.382  -3.914  10.796
  290   2HE2  GLN  39          2HE2      GLN  39   6.858  -4.019   9.974
  291    H    ALA  40           H        ALA  40   8.899   2.410  10.682
  292    HA   ALA  40           HA       ALA  40   7.764   4.194  12.669
  293   1HB   ALA  40          1HB       ALA  40   9.853   4.392  10.584
  294   2HB   ALA  40          2HB       ALA  40   8.911   5.852  10.882
  295   3HB   ALA  40          3HB       ALA  40   9.795   5.089  12.204
  296    H    GLN  41           H        GLN  41   7.296   6.376  10.924
  297    HA   GLN  41           HA       GLN  41   4.847   5.456   9.582
  298   1HB   GLN  41          2HB       GLN  41   5.111   7.441  11.424
  299   2HB   GLN  41          1HB       GLN  41   5.280   8.357   9.936
  300   1HG   GLN  41          2HG       GLN  41   2.926   7.675  11.187
  301   2HG   GLN  41          1HG       GLN  41   3.101   8.286   9.546
  302   1HE2  GLN  41          1HE2      GLN  41   2.301   7.097   7.975
  303   2HE2  GLN  41          2HE2      GLN  41   1.858   5.421   8.092
  304    H    LEU  42           H        LEU  42   4.973   5.271   7.449
  305    HA   LEU  42           HA       LEU  42   7.197   5.943   5.936
  306   1HB   LEU  42          2HB       LEU  42   4.366   5.279   5.195
  307   2HB   LEU  42          1HB       LEU  42   5.528   5.714   3.962
  308    HG   LEU  42           HG       LEU  42   5.534   3.300   5.739
  309   1HD1  LEU  42          1HD1      LEU  42   4.284   3.235   3.615
  310   2HD1  LEU  42          2HD1      LEU  42   5.766   3.639   2.751
  311   3HD1  LEU  42          3HD1      LEU  42   5.646   2.119   3.635
  312   1HD2  LEU  42          1HD2      LEU  42   7.744   3.077   5.636
  313   2HD2  LEU  42          2HD2      LEU  42   7.774   3.473   3.918
  314   3HD2  LEU  42          3HD2      LEU  42   7.809   4.761   5.120
  315    H    GLY  43           H        GLY  43   3.995   7.512   5.743
  316   1HA   GLY  43          1HA       GLY  43   5.140   9.705   4.243
  317   2HA   GLY  43          2HA       GLY  43   3.445   9.483   4.641
  318    H    ASP  44           H        ASP  44   6.208   9.588   6.858
  319    HA   ASP  44           HA       ASP  44   4.954  11.945   8.107
  320   1HB   ASP  44          2HB       ASP  44   5.293   9.755   9.433
  321   2HB   ASP  44          1HB       ASP  44   6.996  10.204   9.460
  322    H    ILE  45           H        ILE  45   7.819  10.726   6.617
  323    HA   ILE  45           HA       ILE  45   9.175  13.290   7.145
  324    HB   ILE  45           HB       ILE  45  11.207  11.846   6.225
  325   1HG1  ILE  45          2HG1      ILE  45  10.753   9.555   7.609
  326   1HG2  ILE  45          1HG2      ILE  45  10.092  12.135   8.971
  327   2HG2  ILE  45          2HG2      ILE  45  11.506  11.109   8.736
  328   3HG2  ILE  45          3HG2      ILE  45  11.564  12.810   8.271
  329   1HD1  ILE  45          1HD1      ILE  45  10.707   8.390   5.610
  330   2HD1  ILE  45          2HD1      ILE  45   9.845   9.677   4.765
  331   3HD1  ILE  45          3HD1      ILE  45  11.543   9.884   5.195
  332    H    GLY  46           H        GLY  46   7.184  12.270   5.068
  333   1HA   GLY  46          1HA       GLY  46   7.201  13.609   2.914
  334   2HA   GLY  46          2HA       GLY  46   8.757  12.824   2.641
  335    H    THR  47           H        THR  47   5.659  12.690   1.702
  336    HA   THR  47           HA       THR  47   5.112   9.914   2.058
  337    HB   THR  47           HB       THR  47   3.412  10.736   0.062
  338    HG1  THR  47           1HG      THR  47   2.846  12.915   0.704
  339   1HG2  THR  47          1HG2      THR  47   3.296  10.144   2.819
  340   2HG2  THR  47          2HG2      THR  47   1.958  10.202   1.671
  341   3HG2  THR  47          3HG2      THR  47   2.396  11.643   2.588
  342    H    SER  48           H        SER  48   6.486   8.535   1.081
  343    HA   SER  48           HA       SER  48   6.183   8.165  -1.727
  344   1HB   SER  48          2HB       SER  48   8.475   9.641  -0.848
  345   2HB   SER  48          1HB       SER  48   9.006   8.089  -1.491
  346    HG   SER  48           HG       SER  48   8.867   9.270  -3.283
  347    H    SER  49           H        SER  49   5.734   6.071  -1.693
  348    HA   SER  49           HA       SER  49   7.283   4.306   0.066
  349   1HB   SER  49          2HB       SER  49   5.341   2.690  -0.784
  350   2HB   SER  49          1HB       SER  49   5.077   3.814   0.552
  351    HG   SER  49           HG       SER  49   3.475   3.808  -1.226
  352    H    TYR  50           H        TYR  50   8.443   2.629  -0.740
  353    HA   TYR  50           HA       TYR  50   8.857   2.689  -3.639
  354   1HB   TYR  50          2HB       TYR  50  10.576   2.217  -1.305
  355   2HB   TYR  50          1HB       TYR  50  10.859   1.110  -2.648
  356    HD1  TYR  50           1HD      TYR  50  11.474   4.370  -1.350
  357    HD2  TYR  50           2HD      TYR  50  11.227   2.138  -4.958
  358    HE1  TYR  50           1HE      TYR  50  12.753   6.111  -2.506
  359    HE2  TYR  50           2HE      TYR  50  12.502   3.876  -6.129
  360    HH   TYR  50           HH       TYR  50  13.073   6.190  -5.932
  361    H    THR  51           H        THR  51   8.129   1.122  -4.871
  362    HA   THR  51           HA       THR  51   7.173  -1.349  -3.618
  363    HB   THR  51           HB       THR  51   6.701  -1.018  -6.487
  364    HG1  THR  51           1HG      THR  51   6.151   1.049  -4.701
  365   1HG2  THR  51          1HG2      THR  51   4.304  -1.094  -5.015
  366   2HG2  THR  51          2HG2      THR  51   5.441  -2.136  -4.162
  367   3HG2  THR  51          3HG2      THR  51   5.088  -2.427  -5.864
  368    H    LYS  52           H        LYS  52   8.786  -2.794  -3.464
  369    HA   LYS  52           HA       LYS  52   9.991  -3.750  -5.908
  370   1HB   LYS  52          2HB       LYS  52  11.417  -1.905  -4.316
  371   2HB   LYS  52          1HB       LYS  52  12.138  -3.482  -4.008
  372   1HG   LYS  52          2HG       LYS  52  13.125  -3.519  -6.001
  373   2HG   LYS  52          1HG       LYS  52  11.638  -3.047  -6.827
  374   1HD   LYS  52          2HD       LYS  52  12.061  -0.723  -6.364
  375   2HD   LYS  52          1HD       LYS  52  13.464  -1.138  -5.379
  376   1HE   LYS  52          2HE       LYS  52  14.765  -1.115  -7.171
  377   2HE   LYS  52          1HE       LYS  52  13.763  -2.347  -7.938
  378   1HZ   LYS  52          1HZ       LYS  52  12.240  -0.379  -8.517
  379   2HZ   LYS  52          2HZ       LYS  52  13.669  -0.580  -9.408
  380   3HZ   LYS  52          3HZ       LYS  52  13.595   0.593  -8.180
  381    H    SER  53           H        SER  53  10.586  -5.868  -5.786
  382    HA   SER  53           HA       SER  53  10.697  -8.004  -5.012
  383   1HB   SER  53          2HB       SER  53  11.075  -6.632  -2.340
  384   2HB   SER  53          1HB       SER  53  11.268  -8.364  -2.607
  385    HG   SER  53           HG       SER  53  13.163  -8.019  -3.437
  386    H    GLY  54           H        GLY  54   8.157  -6.352  -5.031
  387   1HA   GLY  54          1HA       GLY  54   5.926  -6.860  -4.686
  388   2HA   GLY  54          2HA       GLY  54   6.422  -8.355  -3.902
  389    H    MET  55           H        MET  55   8.039  -5.723  -2.622
  390    HA   MET  55           HA       MET  55   6.107  -5.500  -0.416
  391   1HB   MET  55          2HB       MET  55   7.738  -5.782   1.165
  392   2HB   MET  55          1HB       MET  55   8.434  -6.761  -0.116
  393   1HG   MET  55          2HG       MET  55   9.886  -4.933  -0.761
  394   2HG   MET  55          1HG       MET  55   9.151  -3.894   0.458
  395   1HE   MET  55          1HE       MET  55  12.623  -6.689   0.963
  396   2HE   MET  55          2HE       MET  55  11.423  -6.903  -0.312
  397   3HE   MET  55          3HE       MET  55  12.339  -5.400  -0.204
  398    H    ILE  56           H        ILE  56   6.527  -3.485   0.912
  399    HA   ILE  56           HA       ILE  56   7.220  -1.249  -0.882
  400    HB   ILE  56           HB       ILE  56   4.773  -1.697   0.756
  401   1HG1  ILE  56          2HG1      ILE  56   5.249  -0.127  -1.781
  402   1HG2  ILE  56          1HG2      ILE  56   4.674   0.297   1.724
  403   2HG2  ILE  56          2HG2      ILE  56   6.321   0.616   1.178
  404   3HG2  ILE  56          3HG2      ILE  56   4.952   1.095   0.177
  405   1HD1  ILE  56          1HD1      ILE  56   2.825  -0.846  -2.170
  406   2HD1  ILE  56          2HD1      ILE  56   2.768  -1.110  -0.426
  407   3HD1  ILE  56          3HD1      ILE  56   3.132   0.494  -1.066
  408    H    LEU  57           H        LEU  57   8.803  -0.027  -0.129
  409    HA   LEU  57           HA       LEU  57   9.268   0.040   2.791
  410   1HB   LEU  57          2HB       LEU  57  11.250   0.378   0.530
  411   2HB   LEU  57          1HB       LEU  57  11.597   0.777   2.192
  412    HG   LEU  57           HG       LEU  57  10.641  -1.871   2.196
  413   1HD1  LEU  57          1HD1      LEU  57  11.696  -3.009   0.550
  414   2HD1  LEU  57          2HD1      LEU  57  11.484  -1.485  -0.311
  415   3HD1  LEU  57          3HD1      LEU  57  13.027  -1.856   0.460
  416   1HD2  LEU  57          1HD2      LEU  57  13.029  -0.342   2.932
  417   2HD2  LEU  57          2HD2      LEU  57  12.144  -1.570   3.834
  418   3HD2  LEU  57          3HD2      LEU  57  13.317  -2.050   2.608
  419    H    CYS  58           H        CYS  58  10.798   1.949   3.159
  420    HA   CYS  58           HA       CYS  58   9.246   4.351   2.730
  421   1HB   CYS  58          2HB       CYS  58  11.421   4.789   4.390
  422   2HB   CYS  58          1HB       CYS  58   9.821   4.245   4.919
  423    H    ARG  59           H        ARG  59  10.141   6.244   1.828
  424    HA   ARG  59           HA       ARG  59  12.215   5.983  -0.106
  425   1HB   ARG  59          2HB       ARG  59  10.581   7.695  -0.451
  426   2HB   ARG  59          1HB       ARG  59  10.851   8.372   1.146
  427   1HG   ARG  59          2HG       ARG  59  11.813   9.805  -0.537
  428   2HG   ARG  59          1HG       ARG  59  13.095   9.089   0.442
  429   1HD   ARG  59          2HD       ARG  59  14.051   8.383  -1.433
  430   2HD   ARG  59          1HD       ARG  59  12.675   7.307  -1.672
  431    HE   ARG  59           HE       ARG  59  11.704   8.903  -3.123
  432   1HH1  ARG  59          2HH1      ARG  59  14.942   9.744  -2.062
  433   2HH1  ARG  59          1HH1      ARG  59  15.144  10.962  -3.279
  434   1HH2  ARG  59          2HH2      ARG  59  11.974  10.487  -4.707
  435   2HH2  ARG  59          1HH2      ARG  59  13.453  11.392  -4.782
  436    H    ASN  60           H        ASN  60  12.126   6.535   3.258
  437    HA   ASN  60           HA       ASN  60  14.732   7.747   3.450
  438   1HB   ASN  60          2HB       ASN  60  12.889   8.292   5.021
  439   2HB   ASN  60          1HB       ASN  60  12.941   6.637   5.617
  440   1HD2  ASN  60          1HD2      ASN  60  14.387   6.105   7.156
  441   2HD2  ASN  60          2HD2      ASN  60  15.566   7.195   7.806
  442    H    ASP  61           H        ASP  61  13.321   4.521   3.974
  443    HA   ASP  61           HA       ASP  61  15.937   3.653   4.964
  444   1HB   ASP  61          2HB       ASP  61  13.197   2.445   5.293
  445   2HB   ASP  61          1HB       ASP  61  14.661   1.725   5.930
  446    H    TYR  62           H        TYR  62  13.903   3.320   2.250
  447    HA   TYR  62           HA       TYR  62  14.576   0.814   1.233
  448   1HB   TYR  62          2HB       TYR  62  12.957   2.037   0.050
  449   2HB   TYR  62          1HB       TYR  62  13.972   3.467  -0.047
  450    HD1  TYR  62           1HD      TYR  62  13.380   0.109  -1.438
  451    HD2  TYR  62           2HD      TYR  62  15.512   3.767  -1.855
  452    HE1  TYR  62           1HE      TYR  62  14.032  -0.536  -3.714
  453    HE2  TYR  62           2HE      TYR  62  16.180   3.127  -4.133
  454    HH   TYR  62           HH       TYR  62  14.954   1.373  -5.988
  455    H    ILE  63           H        ILE  63  16.444   3.751   1.440
  456    HA   ILE  63           HA       ILE  63  18.509   3.028  -0.365
  457    HB   ILE  63           HB       ILE  63  19.166   4.829   1.901
  458   1HG1  ILE  63          2HG1      ILE  63  16.753   5.293   1.382
  459   1HG2  ILE  63          1HG2      ILE  63  20.471   4.279  -0.311
  460   2HG2  ILE  63          2HG2      ILE  63  19.423   5.528  -0.980
  461   3HG2  ILE  63          3HG2      ILE  63  20.487   5.902   0.375
  462   1HD1  ILE  63          1HD1      ILE  63  17.382   6.721  -1.086
  463   2HD1  ILE  63          2HD1      ILE  63  17.369   4.963  -1.239
  464   3HD1  ILE  63          3HD1      ILE  63  15.945   5.806  -0.628
  465    H    ARG  64           H        ARG  64  17.769   1.969   2.793
  466    HA   ARG  64           HA       ARG  64  20.520   1.055   3.251
  467   1HB   ARG  64          2HB       ARG  64  20.106   1.134   5.471
  468   2HB   ARG  64          1HB       ARG  64  18.768   2.168   5.004
  469   1HG   ARG  64          2HG       ARG  64  17.605  -0.265   4.822
  470   2HG   ARG  64          1HG       ARG  64  18.767  -0.545   6.120
  471   1HD   ARG  64          2HD       ARG  64  16.600   1.547   6.009
  472   2HD   ARG  64          1HD       ARG  64  16.715   0.175   7.110
  473    HE   ARG  64           HE       ARG  64  18.763   2.287   7.174
  474   1HH1  ARG  64          2HH1      ARG  64  16.175   0.514   8.745
  475   2HH1  ARG  64          1HH1      ARG  64  16.519   1.180  10.315
  476   1HH2  ARG  64          2HH2      ARG  64  19.198   3.162   9.219
  477   2HH2  ARG  64          1HH2      ARG  64  18.239   2.679  10.591
  478    H    LEU  65           H        LEU  65  17.821   0.059   1.720
  479    HA   LEU  65           HA       LEU  65  18.276  -2.790   2.314
  480   1HB   LEU  65          2HB       LEU  65  15.883  -1.205   1.776
  481   2HB   LEU  65          1HB       LEU  65  15.989  -2.633   0.766
  482    HG   LEU  65           HG       LEU  65  14.686  -3.169   2.700
  483   1HD1  LEU  65          1HD1      LEU  65  15.710  -5.134   3.313
  484   2HD1  LEU  65          2HD1      LEU  65  16.576  -4.739   1.829
  485   3HD1  LEU  65          3HD1      LEU  65  17.312  -4.402   3.396
  486   1HD2  LEU  65          1HD2      LEU  65  16.696  -1.566   4.064
  487   2HD2  LEU  65          2HD2      LEU  65  15.033  -1.931   4.524
  488   3HD2  LEU  65          3HD2      LEU  65  16.324  -3.070   4.907
  489    H    PHE  66           H        PHE  66  17.552  -0.549  -0.357
  490    HA   PHE  66           HA       PHE  66  19.107  -2.296  -2.151
  491   1HB   PHE  66          2HB       PHE  66  16.607  -0.786  -2.941
  492   2HB   PHE  66          1HB       PHE  66  17.529  -1.902  -3.941
  493    HD1  PHE  66           1HD      PHE  66  17.434  -4.315  -3.505
  494    HD2  PHE  66           2HD      PHE  66  15.009  -1.561  -1.352
  495    HE1  PHE  66           1HE      PHE  66  15.986  -6.163  -2.774
  496    HE2  PHE  66           2HE      PHE  66  13.566  -3.410  -0.607
  497    HZ   PHE  66           HZ       PHE  66  14.053  -5.715  -1.323
  498    H    GLY  67           H        GLY  67  19.995   0.019  -0.705
  499   1HA   GLY  67          1HA       GLY  67  20.537   1.800  -2.994
  500   2HA   GLY  67          2HA       GLY  67  20.130   2.457  -1.417
  501    H    ASN  68           H        ASN  68  22.161   3.581  -1.584
  502    HA   ASN  68           HA       ASN  68  24.363   1.980  -0.534
  503   1HB   ASN  68          2HB       ASN  68  25.871   3.490  -2.074
  504   2HB   ASN  68          1HB       ASN  68  25.162   2.008  -2.704
  505   1HD2  ASN  68          1HD2      ASN  68  24.329   2.206  -4.635
  506   2HD2  ASN  68          2HD2      ASN  68  23.602   3.635  -5.298
  507    H    SER  69           H        SER  69  26.277   3.767  -0.134
  508    HA   SER  69           HA       SER  69  25.036   5.603   1.747
  509   1HB   SER  69          2HB       SER  69  28.000   5.424   1.360
  510   2HB   SER  69          1HB       SER  69  27.073   5.663   2.845
  511    HG   SER  69           HG       SER  69  26.290   3.407   2.364
  512    H    GLY  70           H        GLY  70  27.079   5.704  -1.129
  513   1HA   GLY  70          1HA       GLY  70  27.293   8.585  -1.100
  514   2HA   GLY  70          2HA       GLY  70  27.858   7.503  -2.364
  515    H    ALA  71           H        ALA  71  24.718   8.372  -0.941
  516    HA   ALA  71           HA       ALA  71  23.689   8.674  -3.682
  517   1HB   ALA  71          1HB       ALA  71  21.458   8.176  -2.727
  518   2HB   ALA  71          2HB       ALA  71  22.599   6.841  -2.543
  519   3HB   ALA  71          3HB       ALA  71  22.225   7.880  -1.166
  520    H    GLY  72           H        GLY  72  23.264  10.692  -4.258
  521   1HA   GLY  72          1HA       GLY  72  22.116  12.542  -2.308
  522   2HA   GLY  72          2HA       GLY  72  23.647  13.011  -3.038
  523    H    GLY  73           H        GLY  73  21.322  14.531  -3.320
  524   1HA   GLY  73          1HA       GLY  73  20.137  13.937  -5.893
  525   2HA   GLY  73          2HA       GLY  73  19.825  15.349  -4.893
  526    H    SER  74           H        SER  74  22.525  13.914  -6.697
  527    HA   SER  74           HA       SER  74  23.856  16.370  -7.076
  528   1HB   SER  74          2HB       SER  74  24.611  14.440  -9.060
  529   2HB   SER  74          1HB       SER  74  25.501  14.960  -7.626
  530    HG   SER  74           HG       SER  74  23.959  12.700  -8.043
  531    H    GLY  75           H        GLY  75  21.441  14.685  -8.967
  532   1HA   GLY  75          1HA       GLY  75  21.850  16.631 -11.149
  533   2HA   GLY  75          2HA       GLY  75  21.068  15.065 -11.322
  534    H    GLY  76           H        GLY  76  20.164  17.783 -12.010
  535   1HA   GLY  76          1HA       GLY  76  17.990  18.365 -10.197
  536   2HA   GLY  76          2HA       GLY  76  18.324  19.164 -11.725
  537    H    HIS  77           H        HIS  77  17.421  15.905 -10.608
  538    HA   HIS  77           HA       HIS  77  15.189  15.980 -12.504
  539   1HB   HIS  77          2HB       HIS  77  15.619  13.635 -13.182
  540   2HB   HIS  77          1HB       HIS  77  16.901  14.730 -13.680
  541    HD1  HIS  77           1HD      HIS  77  19.237  14.306 -12.771
  542    HD2  HIS  77           2HD      HIS  77  16.345  11.790 -11.147
  543    HE1  HIS  77           1HE      HIS  77  20.505  12.524 -11.522
  544    HE2  HIS  77           2HE      HIS  77  18.735  11.093 -10.439
  545    H    MET  78           H        MET  78  15.374  16.360  -9.651
  546    HA   MET  78           HA       MET  78  14.301  13.978  -8.409
  547   1HB   MET  78          2HB       MET  78  15.676  15.926  -7.325
  548   2HB   MET  78          1HB       MET  78  14.118  16.730  -7.227
  549   1HG   MET  78          2HG       MET  78  13.237  14.901  -5.896
  550   2HG   MET  78          1HG       MET  78  14.776  14.054  -6.026
  551   1HE   MET  78          1HE       MET  78  16.820  17.239  -4.872
  552   2HE   MET  78          2HE       MET  78  15.744  17.231  -6.269
  553   3HE   MET  78          3HE       MET  78  15.340  18.197  -4.851
  554    H    GLY  79           H        GLY  79  12.509  13.584  -9.789
  555   1HA   GLY  79          1HA       GLY  79  10.500  15.557 -10.245
  556   2HA   GLY  79          2HA       GLY  79  10.366  13.838 -10.590
  557    H    SER  80           H        SER  80  10.490  12.600  -8.265
  558    HA   SER  80           HA       SER  80   8.021  13.357  -6.998
  559   1HB   SER  80          2HB       SER  80   9.416  11.243  -5.632
  560   2HB   SER  80          1HB       SER  80   7.925  11.162  -6.568
  561    HG   SER  80           HG       SER  80  10.316  10.206  -7.208
  562    H    GLY  81           H        GLY  81   7.913  14.771  -5.393
  563   1HA   GLY  81          1HA       GLY  81   9.443  14.629  -3.044
  564   2HA   GLY  81          2HA       GLY  81  10.144  15.856  -4.089
  565    H    GLY  82           H        GLY  82   9.257  16.695  -1.731
  566   1HA   GLY  82          1HA       GLY  82   6.521  17.454  -1.668
  567   2HA   GLY  82          2HA       GLY  82   7.806  18.130  -0.675
  568    H    ASP  83           H        ASP  83   9.370  19.565  -2.020
  569    HA   ASP  83           HA       ASP  83   8.119  20.982  -4.204
  570   1HB   ASP  83          2HB       ASP  83   7.292  21.969  -1.920
  571   2HB   ASP  83          1HB       ASP  83   8.906  22.669  -1.846
  572    H    VAL  84           H        VAL  84   9.581  22.547  -5.169
  573    HA   VAL  84           HA       VAL  84  12.324  21.672  -5.061
  574    HB   VAL  84           HB       VAL  84  11.430  24.146  -6.512
  575   1HG1  VAL  84          1HG1      VAL  84  13.430  24.001  -7.475
  576   2HG1  VAL  84          2HG1      VAL  84  13.813  22.693  -6.354
  577   3HG1  VAL  84          3HG1      VAL  84  13.143  22.323  -7.942
  578   1HG2  VAL  84          1HG2      VAL  84  10.175  23.070  -8.021
  579   2HG2  VAL  84          2HG2      VAL  84  11.283  21.702  -8.096
  580   3HG2  VAL  84          3HG2      VAL  84  10.068  21.782  -6.823
  581    H    MET  85           H        MET  85  10.396  24.318  -3.855
  582    HA   MET  85           HA       MET  85  12.800  25.479  -2.603
  583   1HB   MET  85          2HB       MET  85  11.237  27.471  -2.166
  584   2HB   MET  85          1HB       MET  85  11.788  27.222  -3.815
  585   1HG   MET  85          2HG       MET  85   9.703  26.361  -4.491
  586   2HG   MET  85          1HG       MET  85   9.151  26.191  -2.826
  587   1HE   MET  85          1HE       MET  85   9.247  27.827  -5.870
  588   2HE   MET  85          2HE       MET  85   7.648  28.497  -5.548
  589   3HE   MET  85          3HE       MET  85   9.043  29.569  -5.680
  590    H    VAL  86           H        VAL  86  12.268  23.345  -1.333
  591    HA   VAL  86           HA       VAL  86  10.153  23.425   0.556
  592    HB   VAL  86           HB       VAL  86  11.905  21.725   1.728
  593   1HG1  VAL  86          1HG1      VAL  86   9.673  21.531  -0.128
  594   2HG1  VAL  86          2HG1      VAL  86  10.743  20.130  -0.184
  595   3HG1  VAL  86          3HG1      VAL  86  10.009  20.618   1.342
  596   1HG2  VAL  86          1HG2      VAL  86  12.625  21.841  -1.192
  597   2HG2  VAL  86          2HG2      VAL  86  13.698  21.956   0.202
  598   3HG2  VAL  86          3HG2      VAL  86  12.921  20.422  -0.188
  599    H    VAL  87           H        VAL  87  10.027  25.002   1.980
  600    HA   VAL  87           HA       VAL  87  10.501  26.460   3.642
  601    HB   VAL  87           HB       VAL  87  12.694  24.679   4.651
  602   1HG1  VAL  87          1HG1      VAL  87  10.481  25.739   6.323
  603   2HG1  VAL  87          2HG1      VAL  87  12.195  25.552   6.700
  604   3HG1  VAL  87          3HG1      VAL  87  11.653  26.895   5.691
  605   1HG2  VAL  87          1HG2      VAL  87  11.327  22.952   5.250
  606   2HG2  VAL  87          2HG2      VAL  87   9.903  23.984   5.375
  607   3HG2  VAL  87          3HG2      VAL  87  10.476  23.463   3.792
  608    H    GLY  88           H        GLY  88  13.719  25.752   4.343
  609   1HA   GLY  88          1HA       GLY  88  14.779  27.639   2.368
  610   2HA   GLY  88          2HA       GLY  88  14.952  28.049   4.071
  611    H    GLU  89           H        GLU  89  15.152  24.863   2.582
  612    HA   GLU  89           HA       GLU  89  17.983  24.742   3.387
  613   1HB   GLU  89          2HB       GLU  89  15.824  22.655   3.669
  614   2HB   GLU  89          1HB       GLU  89  17.537  22.272   3.783
  615   1HG   GLU  89          2HG       GLU  89  17.212  22.609   5.968
  616   2HG   GLU  89          1HG       GLU  89  17.380  24.310   5.535
  617    HA   PRO  90           HA       PRO  90  18.132  24.264  -1.099
  618   1HB   PRO  90          2HB       PRO  90  21.026  24.114  -0.417
  619   2HB   PRO  90          1HB       PRO  90  20.201  25.117  -1.616
  620   1HG   PRO  90          2HG       PRO  90  21.081  26.169   0.662
  621   2HG   PRO  90          1HG       PRO  90  19.536  26.684  -0.043
  622   1HD   PRO  90          2HD       PRO  90  20.057  24.870   2.271
  623   2HD   PRO  90          1HD       PRO  90  18.769  26.069   2.045
  624    H    THR  91           H        THR  91  17.562  22.339  -1.815
  625    HA   THR  91           HA       THR  91  17.606  20.154  -2.413
  626    HB   THR  91           HB       THR  91  20.483  19.727  -1.954
  627    HG1  THR  91           1HG      THR  91  19.582  21.786  -3.731
  628   1HG2  THR  91          1HG2      THR  91  19.706  18.189  -3.437
  629   2HG2  THR  91          2HG2      THR  91  20.091  19.460  -4.595
  630   3HG2  THR  91          3HG2      THR  91  18.431  19.251  -4.035
  631    H    LEU  92           H        LEU  92  17.389  20.831   0.502
  632    HA   LEU  92           HA       LEU  92  18.528  18.427   1.729
  633   1HB   LEU  92          2HB       LEU  92  18.016  21.019   2.665
  634   2HB   LEU  92          1HB       LEU  92  16.847  19.994   3.476
  635    HG   LEU  92           HG       LEU  92  19.121  18.543   3.817
  636   1HD1  LEU  92          1HD1      LEU  92  19.929  21.245   3.150
  637   2HD1  LEU  92          2HD1      LEU  92  20.482  20.758   4.755
  638   3HD1  LEU  92          3HD1      LEU  92  20.902  19.785   3.345
  639   1HD2  LEU  92          1HD2      LEU  92  18.556  20.711   5.770
  640   2HD2  LEU  92          2HD2      LEU  92  17.282  19.544   5.412
  641   3HD2  LEU  92          3HD2      LEU  92  18.836  18.991   6.036
  642    H    MET  93           H        MET  93  16.797  17.677  -0.099
  643    HA   MET  93           HA       MET  93  14.484  16.757   1.460
  644   1HB   MET  93          2HB       MET  93  14.107  18.558  -0.475
  645   2HB   MET  93          1HB       MET  93  14.175  17.123  -1.486
  646   1HG   MET  93          2HG       MET  93  12.350  16.130  -0.219
  647   2HG   MET  93          1HG       MET  93  12.289  17.555   0.816
  648   1HE   MET  93          1HE       MET  93  12.080  18.521  -3.549
  649   2HE   MET  93          2HE       MET  93  13.217  17.444  -2.743
  650   3HE   MET  93          3HE       MET  93  11.700  16.805  -3.380
  651    H    GLY  94           H        GLY  94  13.495  14.762   0.270
  652   1HA   GLY  94          1HA       GLY  94  15.557  12.822   0.047
  653   2HA   GLY  94          2HA       GLY  94  13.850  12.558  -0.275
  654    H    GLY  95           H        GLY  95  16.947  12.995  -1.633
  655   1HA   GLY  95          1HA       GLY  95  15.839  12.542  -4.298
  656   2HA   GLY  95          2HA       GLY  95  16.791  14.005  -4.082
  657    H    GLU  96           H        GLU  96  17.678  11.377  -2.126
  658    HA   GLU  96           HA       GLU  96  20.278  11.228  -3.265
  659   1HB   GLU  96          2HB       GLU  96  20.730   9.585  -1.576
  660   2HB   GLU  96          1HB       GLU  96  19.747  10.849  -0.852
  661   1HG   GLU  96          2HG       GLU  96  18.425   8.413  -1.948
  662   2HG   GLU  96          1HG       GLU  96  19.242   8.334  -0.387
  663    H    PHE  97           H        PHE  97  17.332   9.423  -3.654
  664    HA   PHE  97           HA       PHE  97  18.704   7.714  -5.617
  665   1HB   PHE  97          2HB       PHE  97  17.182   6.924  -3.360
  666   2HB   PHE  97          1HB       PHE  97  16.216   6.557  -4.786
  667    HD1  PHE  97           1HD      PHE  97  19.510   6.001  -3.203
  668    HD2  PHE  97           2HD      PHE  97  16.728   4.732  -6.161
  669    HE1  PHE  97           1HE      PHE  97  20.844   3.968  -3.582
  670    HE2  PHE  97           2HE      PHE  97  18.057   2.698  -6.547
  671    HZ   PHE  97           HZ       PHE  97  20.116   2.313  -5.255
  672    H    GLY  98           H        GLY  98  17.969   7.791  -7.634
  673   1HA   GLY  98          1HA       GLY  98  15.571   9.422  -8.154
  674   2HA   GLY  98          2HA       GLY  98  16.857   9.086  -9.308
  675    H    ASP  99           H        ASP  99  15.805   6.482  -7.390
  676    HA   ASP  99           HA       ASP  99  15.013   4.933  -9.624
  677   1HB   ASP  99          2HB       ASP  99  15.970   4.133  -7.380
  678   2HB   ASP  99          1HB       ASP  99  14.335   4.304  -6.754
  679    H    GLU 100           H        GLU 100  13.208   5.210 -10.706
  680    HA   GLU 100           HA       GLU 100  10.985   6.625  -9.584
  681   1HB   GLU 100          2HB       GLU 100  11.559   5.438 -12.286
  682   2HB   GLU 100          1HB       GLU 100   9.983   6.115 -11.896
  683   1HG   GLU 100          2HG       GLU 100  10.746   8.112 -12.442
  684   2HG   GLU 100          1HG       GLU 100  11.875   8.024 -11.092
  685    H    ASP 101           H        ASP 101  11.155   4.527  -8.024
  686    HA   ASP 101           HA       ASP 101   8.851   2.863  -8.818
  687   1HB   ASP 101          2HB       ASP 101  11.438   1.953  -8.160
  688   2HB   ASP 101          1HB       ASP 101  10.437   1.609  -6.753
  689    H    GLU 102           H        GLU 102   9.539   5.411  -7.188
  690    HA   GLU 102           HA       GLU 102   8.347   4.654  -4.627
  691   1HB   GLU 102          2HB       GLU 102   8.993   7.102  -4.082
  692   2HB   GLU 102          1HB       GLU 102  10.259   5.886  -4.190
  693   1HG   GLU 102          2HG       GLU 102  11.139   6.760  -6.082
  694   2HG   GLU 102          1HG       GLU 102   9.591   7.377  -6.657
  695    H    ARG 103           H        ARG 103   7.455   7.307  -4.028
  696    HA   ARG 103           HA       ARG 103   5.604   8.602  -4.097
  697   1HB   ARG 103          2HB       ARG 103   6.749   8.552  -6.713
  698   2HB   ARG 103          1HB       ARG 103   5.000   8.647  -6.868
  699   1HG   ARG 103          2HG       ARG 103   6.548  10.481  -5.069
  700   2HG   ARG 103          1HG       ARG 103   6.265  10.835  -6.773
  701   1HD   ARG 103          2HD       ARG 103   4.156  11.445  -6.397
  702   2HD   ARG 103          1HD       ARG 103   3.844  10.033  -5.388
  703    HE   ARG 103           HE       ARG 103   5.406  11.777  -3.888
  704   1HH1  ARG 103          2HH1      ARG 103   2.241  11.786  -5.405
  705   2HH1  ARG 103          1HH1      ARG 103   1.534  12.837  -4.209
  706   1HH2  ARG 103          2HH2      ARG 103   4.478  13.179  -2.329
  707   2HH2  ARG 103          1HH2      ARG 103   2.807  13.640  -2.479
  708    H    LEU 104           H        LEU 104   5.201   5.639  -4.020
  709    HA   LEU 104           HA       LEU 104   2.706   5.278  -5.449
  710   1HB   LEU 104          2HB       LEU 104   4.612   3.534  -4.979
  711   2HB   LEU 104          1HB       LEU 104   3.756   3.310  -3.465
  712    HG   LEU 104           HG       LEU 104   1.684   3.066  -5.139
  713   1HD1  LEU 104          1HD1      LEU 104   2.836   3.386  -7.184
  714   2HD1  LEU 104          2HD1      LEU 104   4.108   2.255  -6.722
  715   3HD1  LEU 104          3HD1      LEU 104   2.484   1.663  -7.066
  716   1HD2  LEU 104          1HD2      LEU 104   3.084   0.556  -5.112
  717   2HD2  LEU 104          2HD2      LEU 104   3.264   1.382  -3.564
  718   3HD2  LEU 104          3HD2      LEU 104   1.654   1.051  -4.206
  719    H    ILE 105           H        ILE 105   2.654   7.327  -3.482
  720    HA   ILE 105           HA       ILE 105   0.683   6.153  -1.643
  721    HB   ILE 105           HB       ILE 105   2.431   8.562  -1.097
  722   1HG1  ILE 105          2HG1      ILE 105   2.282   5.813   0.168
  723   1HG2  ILE 105          1HG2      ILE 105   0.711   9.262   0.159
  724   2HG2  ILE 105          2HG2      ILE 105  -0.134   7.719   0.015
  725   3HG2  ILE 105          3HG2      ILE 105   1.117   7.929   1.242
  726   1HD1  ILE 105          1HD1      ILE 105   4.378   6.686   1.379
  727   2HD1  ILE 105          2HD1      ILE 105   3.689   8.281   1.072
  728   3HD1  ILE 105          3HD1      ILE 105   2.782   7.095   2.013
  729    H    THR 106           H        THR 106  -1.171   6.520  -2.652
  730    HA   THR 106           HA       THR 106  -1.713   9.248  -3.602
  731    HB   THR 106           HB       THR 106  -2.946   6.592  -4.328
  732    HG1  THR 106           1HG      THR 106  -1.320   8.506  -5.563
  733   1HG2  THR 106          1HG2      THR 106  -4.331   8.124  -5.929
  734   2HG2  THR 106          2HG2      THR 106  -4.033   9.356  -4.702
  735   3HG2  THR 106          3HG2      THR 106  -4.883   7.871  -4.272
  736    H    ARG 107           H        ARG 107  -2.616  10.412  -2.056
  737    HA   ARG 107           HA       ARG 107  -4.238   9.053  -0.022
  738   1HB   ARG 107          2HB       ARG 107  -2.210  11.012   0.090
  739   2HB   ARG 107          1HB       ARG 107  -3.699  11.820   0.558
  740   1HG   ARG 107          2HG       ARG 107  -3.136   9.190   1.793
  741   2HG   ARG 107          1HG       ARG 107  -2.149  10.563   2.300
  742   1HD   ARG 107          2HD       ARG 107  -4.283  11.819   2.708
  743   2HD   ARG 107          1HD       ARG 107  -5.148  10.307   2.426
  744    HE   ARG 107           HE       ARG 107  -3.335  10.882   4.675
  745   1HH1  ARG 107          2HH1      ARG 107  -5.711   8.806   3.146
  746   2HH1  ARG 107          1HH1      ARG 107  -5.954   7.820   4.558
  747   1HH2  ARG 107          2HH2      ARG 107  -3.653   9.583   6.540
  748   2HH2  ARG 107          1HH2      ARG 107  -4.822   8.294   6.493
  749    H    LEU 108           H        LEU 108  -6.286   8.970  -0.771
  750    HA   LEU 108           HA       LEU 108  -7.514  11.564  -1.401
  751   1HB   LEU 108          2HB       LEU 108  -7.545   9.116  -2.901
  752   2HB   LEU 108          1HB       LEU 108  -9.174   9.499  -2.379
  753    HG   LEU 108           HG       LEU 108  -8.477  11.903  -3.327
  754   1HD1  LEU 108          1HD1      LEU 108  -6.325  11.547  -4.102
  755   2HD1  LEU 108          2HD1      LEU 108  -6.690   9.921  -4.682
  756   3HD1  LEU 108          3HD1      LEU 108  -7.297  11.327  -5.559
  757   1HD2  LEU 108          1HD2      LEU 108  -9.985   9.650  -4.236
  758   2HD2  LEU 108          2HD2      LEU 108 -10.276  11.368  -4.508
  759   3HD2  LEU 108          3HD2      LEU 108  -9.245  10.462  -5.618
  760    H    GLU 109           H        GLU 109  -8.328  12.121   0.486
  761    HA   GLU 109           HA       GLU 109 -10.170  10.246   1.824
  762   1HB   GLU 109          2HB       GLU 109  -8.688  12.677   2.846
  763   2HB   GLU 109          1HB       GLU 109 -10.045  11.972   3.713
  764   1HG   GLU 109          2HG       GLU 109  -8.812   9.854   3.883
  765   2HG   GLU 109          1HG       GLU 109  -7.446  10.600   3.051
  766    H    ASN 110           H        ASN 110 -12.321  10.911   2.031
  767    HA   ASN 110           HA       ASN 110 -13.192  12.615  -0.018
  768   1HB   ASN 110          2HB       ASN 110 -14.500  11.044   2.114
  769   2HB   ASN 110          1HB       ASN 110 -15.449  12.354   1.406
  770   1HD2  ASN 110          1HD2      ASN 110 -15.965  12.283  -0.778
  771   2HD2  ASN 110          2HD2      ASN 110 -15.850  10.826  -1.705
  772    H    THR 111           H        THR 111 -11.746  13.646   2.627
  773    HA   THR 111           HA       THR 111 -13.402  15.949   3.238
  774    HB   THR 111           HB       THR 111 -10.822  16.409   4.205
  775    HG1  THR 111           1HG      THR 111 -10.286  14.391   5.172
  776   1HG2  THR 111          1HG2      THR 111 -11.806  16.200   6.326
  777   2HG2  THR 111          2HG2      THR 111 -12.943  14.971   5.774
  778   3HG2  THR 111          3HG2      THR 111 -13.151  16.649   5.276
  779    H    GLN 112           H        GLN 112 -11.477  15.019   0.722
  780    HA   GLN 112           HA       GLN 112 -10.140  17.513   0.180
  781   1HB   GLN 112          2HB       GLN 112  -9.458  16.443  -1.918
  782   2HB   GLN 112          1HB       GLN 112  -9.168  15.372  -0.553
  783   1HG   GLN 112          2HG       GLN 112 -10.410  13.787  -1.464
  784   2HG   GLN 112          1HG       GLN 112 -11.779  14.883  -1.630
  785   1HE2  GLN 112          1HE2      GLN 112 -11.632  13.077  -3.497
  786   2HE2  GLN 112          2HE2      GLN 112 -11.029  13.710  -4.993
  787    H    PHE 113           H        PHE 113 -10.713  17.434  -2.707
  788    HA   PHE 113           HA       PHE 113 -13.083  19.083  -2.705
  789   1HB   PHE 113          2HB       PHE 113 -11.900  18.300  -5.297
  790   2HB   PHE 113          1HB       PHE 113 -12.336  19.893  -4.692
  791    HD1  PHE 113           1HD      PHE 113  -9.677  17.849  -5.626
  792    HD2  PHE 113           2HD      PHE 113 -10.772  20.758  -2.718
  793    HE1  PHE 113           1HE      PHE 113  -7.301  18.330  -5.218
  794    HE2  PHE 113           2HE      PHE 113  -8.397  21.240  -2.302
  795    HZ   PHE 113           HZ       PHE 113  -6.657  20.030  -3.554
  796    H    ASP 114           H        ASP 114 -14.248  17.093  -1.878
  797    HA   ASP 114           HA       ASP 114 -15.772  15.946  -4.058
  798   1HB   ASP 114          2HB       ASP 114 -13.695  14.418  -3.313
  799   2HB   ASP 114          1HB       ASP 114 -14.818  13.953  -2.042
  800    H    ALA 115           H        ALA 115 -17.312  14.186  -2.707
  801    HA   ALA 115           HA       ALA 115 -18.777  15.863  -0.855
  802   1HB   ALA 115          1HB       ALA 115 -20.370  14.664  -1.912
  803   2HB   ALA 115          2HB       ALA 115 -19.261  13.351  -2.304
  804   3HB   ALA 115          3HB       ALA 115 -19.992  13.437  -0.703
  805    H    ALA 116           H        ALA 116 -18.385  15.939   1.258
  806    HA   ALA 116           HA       ALA 116 -16.331  14.447   2.451
  807   1HB   ALA 116          1HB       ALA 116 -17.678  16.717   3.099
  808   2HB   ALA 116          2HB       ALA 116 -18.287  15.591   4.310
  809   3HB   ALA 116          3HB       ALA 116 -16.555  15.875   4.163
  810    H    ASN 117           H        ASN 117 -19.742  13.818   2.187
  811    HA   ASN 117           HA       ASN 117 -19.961  11.985   4.337
  812   1HB   ASN 117          2HB       ASN 117 -21.858  13.130   3.047
  813   2HB   ASN 117          1HB       ASN 117 -21.640  11.868   1.839
  814   1HD2  ASN 117          1HD2      ASN 117 -22.842  10.136   2.076
  815   2HD2  ASN 117          2HD2      ASN 117 -23.549   9.575   3.558
  816    H    GLY 118           H        GLY 118 -18.950  11.640   0.999
  817   1HA   GLY 118          1HA       GLY 118 -17.340   9.509   1.236
  818   2HA   GLY 118          2HA       GLY 118 -18.918   8.745   1.141
  819    H    ILE 119           H        ILE 119 -17.065   8.163  -0.742
  820    HA   ILE 119           HA       ILE 119 -17.474   9.830  -3.076
  821    HB   ILE 119           HB       ILE 119 -16.341   7.652  -4.156
  822   1HG1  ILE 119          2HG1      ILE 119 -14.496   7.216  -2.211
  823   1HG2  ILE 119          1HG2      ILE 119 -15.570  10.071  -4.015
  824   2HG2  ILE 119          2HG2      ILE 119 -14.652   9.573  -2.594
  825   3HG2  ILE 119          3HG2      ILE 119 -14.323   8.831  -4.161
  826   1HD1  ILE 119          1HD1      ILE 119 -16.884   5.695  -3.065
  827   2HD1  ILE 119          2HD1      ILE 119 -15.173   5.270  -3.145
  828   3HD1  ILE 119          3HD1      ILE 119 -16.040   5.159  -1.612
  829    H    ASP 120           H        ASP 120 -18.902   7.107  -1.579
  830    HA   ASP 120           HA       ASP 120 -20.267   6.144  -3.932
  831   1HB   ASP 120          2HB       ASP 120 -19.676   4.676  -1.985
  832   2HB   ASP 120          1HB       ASP 120 -20.875   5.542  -1.031
  833    H    ASP 121           H        ASP 121 -20.976   8.404  -4.394
  834    HA   ASP 121           HA       ASP 121 -23.569   8.935  -3.095
  835   1HB   ASP 121          2HB       ASP 121 -21.986  10.636  -2.362
  836   2HB   ASP 121          1HB       ASP 121 -21.515  10.954  -4.028
  837    H    GLU 122           H        GLU 122 -25.053   8.394  -4.521
  838    HA   GLU 122           HA       GLU 122 -26.288   8.250  -6.411
  839   1HB   GLU 122          2HB       GLU 122 -24.755  10.736  -6.821
  840   2HB   GLU 122          1HB       GLU 122 -25.370   9.991  -8.290
  841   1HG   GLU 122          2HG       GLU 122 -26.909  11.009  -5.930
  842   2HG   GLU 122          1HG       GLU 122 -27.011  11.521  -7.613
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -9.425  -7.779  -8.410
    2   2H    GLY   1          2H        GLY   1 -10.493  -7.387  -7.154
    3   3H    GLY   1          3H        GLY   1 -10.049  -6.206  -8.289
    4   1HA   GLY   1          2HA       GLY   1 -11.067  -7.749 -10.024
    5   2HA   GLY   1          1HA       GLY   1 -11.828  -8.536  -8.646
    6    H    SER   2           H        SER   2 -13.719  -7.763  -7.985
    7    HA   SER   2           HA       SER   2 -14.657  -5.228  -9.094
    8   1HB   SER   2          2HB       SER   2 -16.576  -6.463  -7.361
    9   2HB   SER   2          1HB       SER   2 -16.651  -6.260  -9.110
   10    HG   SER   2           HG       SER   2 -15.481  -8.206  -9.333
   11    H    LEU   3           H        LEU   3 -13.604  -3.672  -7.944
   12    HA   LEU   3           HA       LEU   3 -13.980  -3.707  -5.019
   13   1HB   LEU   3          2HB       LEU   3 -11.612  -3.662  -6.480
   14   2HB   LEU   3          1HB       LEU   3 -11.835  -1.997  -5.978
   15    HG   LEU   3           HG       LEU   3 -11.692  -2.530  -3.702
   16   1HD1  LEU   3          1HD1      LEU   3 -12.435  -4.409  -2.752
   17   2HD1  LEU   3          2HD1      LEU   3 -13.095  -4.801  -4.340
   18   3HD1  LEU   3          3HD1      LEU   3 -11.521  -5.437  -3.858
   19   1HD2  LEU   3          1HD2      LEU   3  -9.711  -3.557  -5.506
   20   2HD2  LEU   3          2HD2      LEU   3  -9.500  -2.784  -3.935
   21   3HD2  LEU   3          3HD2      LEU   3  -9.753  -4.526  -4.033
   22    H    SER   4           H        SER   4 -16.022  -2.625  -5.419
   23    HA   SER   4           HA       SER   4 -15.820   0.150  -6.327
   24   1HB   SER   4          2HB       SER   4 -18.426  -0.758  -5.340
   25   2HB   SER   4          1HB       SER   4 -18.002  -0.017  -6.883
   26    HG   SER   4           HG       SER   4 -17.735  -2.757  -6.150
   27    H    TRP   5           H        TRP   5 -14.999  -1.279  -3.675
   28    HA   TRP   5           HA       TRP   5 -15.888   0.912  -1.953
   29   1HB   TRP   5          2HB       TRP   5 -16.027  -0.676  -0.037
   30   2HB   TRP   5          1HB       TRP   5 -17.242  -0.974  -1.271
   31    HD1  TRP   5           HD       TRP   5 -16.249  -2.994  -3.162
   32    HE1  TRP   5           1HE      TRP   5 -15.315  -5.298  -2.496
   33    HE3  TRP   5           3HE      TRP   5 -14.993  -1.988   1.691
   34    HZ2  TRP   5           2HZ      TRP   5 -14.191  -6.518  -0.223
   35    HZ3  TRP   5           3HZ      TRP   5 -14.000  -3.784   3.042
   36    HH2  TRP   5           HH       TRP   5 -13.609  -6.002   2.106
   37    H    LYS   6           H        LYS   6 -14.435   0.500   0.262
   38    HA   LYS   6           HA       LYS   6 -11.721   0.697  -0.796
   39   1HB   LYS   6          2HB       LYS   6 -13.184   1.921   1.414
   40   2HB   LYS   6          1HB       LYS   6 -11.564   1.394   1.856
   41   1HG   LYS   6          2HG       LYS   6 -10.542   2.857   0.429
   42   2HG   LYS   6          1HG       LYS   6 -11.928   2.931  -0.661
   43   1HD   LYS   6          2HD       LYS   6 -13.092   4.018   1.422
   44   2HD   LYS   6          1HD       LYS   6 -11.429   4.380   1.887
   45   1HE   LYS   6          2HE       LYS   6 -11.097   5.801   0.113
   46   2HE   LYS   6          1HE       LYS   6 -12.310   5.006  -0.888
   47   1HZ   LYS   6          1HZ       LYS   6 -13.322   6.981  -0.334
   48   2HZ   LYS   6          2HZ       LYS   6 -12.680   7.017   1.235
   49   3HZ   LYS   6          3HZ       LYS   6 -13.945   5.945   0.855
   50    H    ARG   7           H        ARG   7 -10.532  -1.013  -0.764
   51    HA   ARG   7           HA       ARG   7 -10.815  -2.958   1.432
   52   1HB   ARG   7          2HB       ARG   7 -11.389  -3.487  -1.143
   53   2HB   ARG   7          1HB       ARG   7  -9.663  -3.829  -1.164
   54   1HG   ARG   7          2HG       ARG   7 -11.510  -5.043   0.865
   55   2HG   ARG   7          1HG       ARG   7 -11.230  -5.772  -0.717
   56   1HD   ARG   7          2HD       ARG   7  -9.140  -6.435  -0.189
   57   2HD   ARG   7          1HD       ARG   7  -8.819  -5.003   0.788
   58    HE   ARG   7           HE       ARG   7 -10.217  -6.083   2.541
   59   1HH1  ARG   7          2HH1      ARG   7  -8.582  -7.991   0.102
   60   2HH1  ARG   7          1HH1      ARG   7  -8.600  -9.455   1.042
   61   1HH2  ARG   7          2HH2      ARG   7 -10.264  -8.013   3.775
   62   2HH2  ARG   7          1HH2      ARG   7  -9.535  -9.460   3.140
   63    H    CYS   8           H        CYS   8  -9.110  -2.991   2.719
   64    HA   CYS   8           HA       CYS   8  -6.626  -1.778   1.954
   65   1HB   CYS   8          2HB       CYS   8  -7.501  -1.488   4.216
   66   2HB   CYS   8          1HB       CYS   8  -7.438  -3.227   4.480
   67    H    ALA   9           H        ALA   9  -4.846  -2.700   1.280
   68    HA   ALA   9           HA       ALA   9  -4.664  -5.635   1.240
   69   1HB   ALA   9          1HB       ALA   9  -3.815  -5.436  -0.803
   70   2HB   ALA   9          2HB       ALA   9  -4.118  -3.701  -0.725
   71   3HB   ALA   9          3HB       ALA   9  -2.557  -4.349  -0.217
   72    H    GLY  10           H        GLY  10  -3.871  -3.163   3.164
   73   1HA   GLY  10          1HA       GLY  10  -1.096  -3.799   3.686
   74   2HA   GLY  10          2HA       GLY  10  -2.095  -2.655   4.574
   75    H    CYS  11           H        CYS  11  -4.117  -4.046   5.546
   76    HA   CYS  11           HA       CYS  11  -2.803  -6.098   7.187
   77   1HB   CYS  11          2HB       CYS  11  -4.585  -5.718   8.831
   78   2HB   CYS  11          1HB       CYS  11  -3.695  -4.241   8.497
   79    H    GLY  12           H        GLY  12  -5.223  -5.497   4.875
   80   1HA   GLY  12          1HA       GLY  12  -6.282  -7.097   3.546
   81   2HA   GLY  12          2HA       GLY  12  -5.803  -8.333   4.700
   82    H    GLY  13           H        GLY  13  -7.783  -5.353   4.832
   83   1HA   GLY  13          1HA       GLY  13 -10.052  -6.968   5.633
   84   2HA   GLY  13          2HA       GLY  13  -9.487  -5.764   6.782
   85    H    LYS  14           H        LYS  14 -11.347  -4.616   6.673
   86    HA   LYS  14           HA       LYS  14 -12.025  -3.324   4.122
   87   1HB   LYS  14          2HB       LYS  14 -13.891  -4.478   5.201
   88   2HB   LYS  14          1HB       LYS  14 -13.625  -3.566   6.679
   89   1HG   LYS  14          2HG       LYS  14 -14.086  -1.482   5.326
   90   2HG   LYS  14          1HG       LYS  14 -14.639  -2.558   4.040
   91   1HD   LYS  14          2HD       LYS  14 -16.349  -3.465   5.456
   92   2HD   LYS  14          1HD       LYS  14 -15.722  -2.586   6.852
   93   1HE   LYS  14          2HE       LYS  14 -17.034  -0.872   6.347
   94   2HE   LYS  14          1HE       LYS  14 -16.198  -0.697   4.804
   95   1HZ   LYS  14          1HZ       LYS  14 -17.979  -1.425   3.745
   96   2HZ   LYS  14          2HZ       LYS  14 -18.828  -1.439   5.214
   97   3HZ   LYS  14          3HZ       LYS  14 -18.036  -2.841   4.678
   98    H    ILE  15           H        ILE  15 -11.815  -1.150   3.884
   99    HA   ILE  15           HA       ILE  15 -10.460   0.276   6.032
  100    HB   ILE  15           HB       ILE  15 -11.195   1.534   3.416
  101   1HG1  ILE  15          2HG1      ILE  15  -8.864  -0.336   3.919
  102   1HG2  ILE  15          1HG2      ILE  15 -10.123   3.190   4.465
  103   2HG2  ILE  15          2HG2      ILE  15  -9.471   2.104   5.690
  104   3HG2  ILE  15          3HG2      ILE  15  -8.650   2.278   4.140
  105   1HD1  ILE  15          1HD1      ILE  15  -9.449   1.345   1.496
  106   2HD1  ILE  15          2HD1      ILE  15  -8.082   1.532   2.596
  107   3HD1  ILE  15          3HD1      ILE  15  -8.222   0.081   1.601
  108    H    ALA  16           H        ALA  16 -12.095   0.522   7.535
  109    HA   ALA  16           HA       ALA  16 -14.397   2.167   6.736
  110   1HB   ALA  16          1HB       ALA  16 -14.538  -0.053   8.132
  111   2HB   ALA  16          2HB       ALA  16 -14.120   1.014   9.473
  112   3HB   ALA  16          3HB       ALA  16 -15.573   1.322   8.521
  113    H    ASP  17           H        ASP  17 -11.532   2.960   7.189
  114    HA   ASP  17           HA       ASP  17 -11.781   4.778   9.465
  115   1HB   ASP  17          2HB       ASP  17  -9.548   3.543   7.988
  116   2HB   ASP  17          1HB       ASP  17  -9.291   5.229   8.426
  117    H    ARG  18           H        ARG  18 -11.332   7.037   9.197
  118    HA   ARG  18           HA       ARG  18 -12.378   8.074   6.697
  119   1HB   ARG  18          2HB       ARG  18 -13.113   8.946   8.921
  120   2HB   ARG  18          1HB       ARG  18 -11.489   9.567   9.173
  121   1HG   ARG  18          2HG       ARG  18 -11.717  11.087   7.339
  122   2HG   ARG  18          1HG       ARG  18 -13.272  10.392   6.895
  123   1HD   ARG  18          2HD       ARG  18 -13.784  12.367   8.072
  124   2HD   ARG  18          1HD       ARG  18 -14.053  11.060   9.226
  125    HE   ARG  18           HE       ARG  18 -11.812  11.612  10.139
  126   1HH1  ARG  18          2HH1      ARG  18 -13.639  14.036   8.383
  127   2HH1  ARG  18          1HH1      ARG  18 -12.757  15.371   9.070
  128   1HH2  ARG  18          2HH2      ARG  18 -10.673  13.345  11.050
  129   2HH2  ARG  18          1HH2      ARG  18 -11.069  14.980  10.600
  130    H    PHE  19           H        PHE  19  -9.545   6.941   7.259
  131    HA   PHE  19           HA       PHE  19  -8.138   8.887   5.623
  132   1HB   PHE  19          2HB       PHE  19  -7.077   7.788   8.239
  133   2HB   PHE  19          1HB       PHE  19  -6.061   8.561   7.027
  134    HD1  PHE  19           1HD      PHE  19  -8.123  10.700   6.247
  135    HD2  PHE  19           2HD      PHE  19  -6.671   9.328   9.998
  136    HE1  PHE  19           1HE      PHE  19  -8.627  12.887   7.228
  137    HE2  PHE  19           2HE      PHE  19  -7.183  11.518  10.996
  138    HZ   PHE  19           HZ       PHE  19  -8.163  13.301   9.605
  139    H    LEU  20           H        LEU  20  -7.696   7.689   3.846
  140    HA   LEU  20           HA       LEU  20  -6.480   5.064   4.254
  141   1HB   LEU  20          2HB       LEU  20  -7.949   3.907   2.952
  142   2HB   LEU  20          1HB       LEU  20  -9.014   5.055   3.712
  143    HG   LEU  20           HG       LEU  20  -9.865   5.160   1.634
  144   1HD1  LEU  20          1HD1      LEU  20  -9.533   7.304   1.240
  145   2HD1  LEU  20          2HD1      LEU  20  -7.895   7.243   1.899
  146   3HD1  LEU  20          3HD1      LEU  20  -8.182   6.828   0.207
  147   1HD2  LEU  20          1HD2      LEU  20  -8.852   4.468  -0.360
  148   2HD2  LEU  20          2HD2      LEU  20  -7.229   4.686   0.294
  149   3HD2  LEU  20          3HD2      LEU  20  -8.253   3.378   0.891
  150    H    LEU  21           H        LEU  21  -5.798   4.207   1.913
  151    HA   LEU  21           HA       LEU  21  -4.622   6.368   0.337
  152   1HB   LEU  21          2HB       LEU  21  -3.148   5.252   2.327
  153   2HB   LEU  21          1HB       LEU  21  -2.774   4.161   1.007
  154    HG   LEU  21           HG       LEU  21  -2.544   6.997   0.300
  155   1HD1  LEU  21          1HD1      LEU  21  -1.045   5.835   2.602
  156   2HD1  LEU  21          2HD1      LEU  21  -0.223   6.946   1.505
  157   3HD1  LEU  21          3HD1      LEU  21  -1.667   7.470   2.370
  158   1HD2  LEU  21          1HD2      LEU  21  -0.348   5.001   0.131
  159   2HD2  LEU  21          2HD2      LEU  21  -1.781   4.760  -0.870
  160   3HD2  LEU  21          3HD2      LEU  21  -0.840   6.243  -1.020
  161    H    TYR  22           H        TYR  22  -3.906   5.662  -1.762
  162    HA   TYR  22           HA       TYR  22  -4.653   2.898  -2.461
  163   1HB   TYR  22          2HB       TYR  22  -4.758   5.033  -4.560
  164   2HB   TYR  22          1HB       TYR  22  -5.569   3.480  -4.515
  165    HD1  TYR  22           1HD      TYR  22  -7.658   3.201  -3.298
  166    HD2  TYR  22           2HD      TYR  22  -5.759   6.999  -3.522
  167    HE1  TYR  22           1HE      TYR  22  -9.756   4.283  -2.625
  168    HE2  TYR  22           2HE      TYR  22  -7.852   8.090  -2.843
  169    HH   TYR  22           HH       TYR  22 -10.857   6.324  -2.643
  170    H    ALA  23           H        ALA  23  -2.985   1.762  -3.266
  171    HA   ALA  23           HA       ALA  23  -0.861   3.107  -4.725
  172   1HB   ALA  23          1HB       ALA  23   0.112   1.428  -2.482
  173   2HB   ALA  23          2HB       ALA  23   0.851   2.831  -3.252
  174   3HB   ALA  23          3HB       ALA  23  -0.466   3.049  -2.100
  175    H    MET  24           H        MET  24  -0.339   1.888  -6.383
  176    HA   MET  24           HA       MET  24   0.062   0.122  -7.745
  177   1HB   MET  24          2HB       MET  24   0.558  -1.024  -5.068
  178   2HB   MET  24          1HB       MET  24   0.198  -2.193  -6.332
  179   1HG   MET  24          2HG       MET  24   2.157  -1.873  -7.374
  180   2HG   MET  24          1HG       MET  24   2.157  -0.137  -7.065
  181   1HE   MET  24          1HE       MET  24   2.191   0.573  -4.317
  182   2HE   MET  24          2HE       MET  24   3.794   0.263  -3.647
  183   3HE   MET  24          3HE       MET  24   3.632   0.995  -5.246
  184    H    ASP  25           H        ASP  25  -2.561   0.991  -7.116
  185    HA   ASP  25           HA       ASP  25  -4.692   0.508  -7.711
  186   1HB   ASP  25          2HB       ASP  25  -3.271  -1.786  -8.846
  187   2HB   ASP  25          1HB       ASP  25  -4.942  -2.138  -8.416
  188    H    SER  26           H        SER  26  -2.996  -1.216  -5.351
  189    HA   SER  26           HA       SER  26  -5.395  -2.374  -4.172
  190   1HB   SER  26          2HB       SER  26  -2.860  -2.286  -2.637
  191   2HB   SER  26          1HB       SER  26  -4.007  -3.609  -2.843
  192    HG   SER  26           HG       SER  26  -1.991  -4.003  -3.879
  193    H    TYR  27           H        TYR  27  -6.282  -1.616  -2.225
  194    HA   TYR  27           HA       TYR  27  -5.576   1.165  -1.649
  195   1HB   TYR  27          2HB       TYR  27  -8.053  -0.270  -0.688
  196   2HB   TYR  27          1HB       TYR  27  -7.768   1.464  -0.756
  197    HD1  TYR  27           1HD      TYR  27  -6.633   1.608  -3.575
  198    HD2  TYR  27           2HD      TYR  27 -10.011  -0.439  -1.974
  199    HE1  TYR  27           1HE      TYR  27  -7.717   1.671  -5.781
  200    HE2  TYR  27           2HE      TYR  27 -11.099  -0.375  -4.176
  201    HH   TYR  27           HH       TYR  27  -9.465   1.059  -7.002
  202    H    TRP  28           H        TRP  28  -5.553   1.851   0.577
  203    HA   TRP  28           HA       TRP  28  -4.679  -0.232   2.458
  204   1HB   TRP  28          2HB       TRP  28  -3.213   2.353   1.849
  205   2HB   TRP  28          1HB       TRP  28  -2.735   1.159   3.048
  206    HD1  TRP  28           HD       TRP  28  -3.096   1.462  -0.802
  207    HE1  TRP  28           1HE      TRP  28  -1.356  -0.093  -1.894
  208    HE3  TRP  28           3HE      TRP  28  -1.210  -0.718   3.415
  209    HZ2  TRP  28           2HZ      TRP  28   0.578  -1.975  -1.060
  210    HZ3  TRP  28           3HZ      TRP  28   0.579  -2.384   3.182
  211    HH2  TRP  28           HH       TRP  28   1.455  -3.003   0.993
  212    H    HIS  29           H        HIS  29  -4.440   0.665   4.685
  213    HA   HIS  29           HA       HIS  29  -6.740   2.277   5.352
  214   1HB   HIS  29          2HB       HIS  29  -4.855   0.521   6.760
  215   2HB   HIS  29          1HB       HIS  29  -5.370   1.919   7.696
  216    HD2  HIS  29           2HD      HIS  29  -8.382   2.100   7.618
  217    HE1  HIS  29           1HE      HIS  29  -8.530  -2.134   7.760
  218    HE2  HIS  29           2HE      HIS  29  -9.773   0.018   8.328
  219    H    SER  30           H        SER  30  -5.242   3.223   7.792
  220    HA   SER  30           HA       SER  30  -4.285   5.712   6.635
  221   1HB   SER  30          2HB       SER  30  -4.275   5.345   9.573
  222   2HB   SER  30          1HB       SER  30  -4.871   6.693   8.607
  223    HG   SER  30           HG       SER  30  -6.664   5.300   8.029
  224    H    ARG  31           H        ARG  31  -3.179   3.410   9.134
  225    HA   ARG  31           HA       ARG  31  -0.420   4.231   8.543
  226   1HB   ARG  31          2HB       ARG  31  -1.832   3.326  10.952
  227   2HB   ARG  31          1HB       ARG  31  -0.252   2.587  10.727
  228   1HG   ARG  31          2HG       ARG  31   0.830   4.468  11.256
  229   2HG   ARG  31          1HG       ARG  31  -0.255   5.473  10.293
  230   1HD   ARG  31          2HD       ARG  31  -1.951   5.218  12.130
  231   2HD   ARG  31          1HD       ARG  31  -0.690   4.452  13.094
  232    HE   ARG  31           HE       ARG  31  -0.615   7.247  12.147
  233   1HH1  ARG  31          2HH1      ARG  31   0.302   4.753  14.428
  234   2HH1  ARG  31          1HH1      ARG  31   1.065   5.863  15.531
  235   1HH2  ARG  31          2HH2      ARG  31   0.379   8.717  13.600
  236   2HH2  ARG  31          1HH2      ARG  31   1.072   8.115  15.080
  237    H    CYS  32           H        CYS  32  -2.381   2.068   7.277
  238    HA   CYS  32           HA       CYS  32  -0.861  -0.333   7.648
  239   1HB   CYS  32          2HB       CYS  32  -3.268   0.412   6.043
  240   2HB   CYS  32          1HB       CYS  32  -2.393  -1.062   5.630
  241    H    LEU  33           H        LEU  33  -0.681   2.344   5.523
  242    HA   LEU  33           HA       LEU  33   1.184   0.905   3.775
  243   1HB   LEU  33          2HB       LEU  33  -0.486   2.467   2.728
  244   2HB   LEU  33          1HB       LEU  33   0.324   3.790   3.548
  245    HG   LEU  33           HG       LEU  33   2.372   2.442   2.217
  246   1HD1  LEU  33          1HD1      LEU  33   1.054   1.188   0.782
  247   2HD1  LEU  33          2HD1      LEU  33  -0.157   2.460   0.622
  248   3HD1  LEU  33          3HD1      LEU  33   1.413   2.631  -0.167
  249   1HD2  LEU  33          1HD2      LEU  33   2.744   4.627   2.026
  250   2HD2  LEU  33          2HD2      LEU  33   1.712   4.560   0.597
  251   3HD2  LEU  33          3HD2      LEU  33   1.028   5.016   2.158
  252    H    LYS  34           H        LYS  34   2.605   0.564   5.507
  253    HA   LYS  34           HA       LYS  34   4.176   2.931   6.278
  254   1HB   LYS  34          2HB       LYS  34   4.207   2.276   8.522
  255   2HB   LYS  34          1HB       LYS  34   2.549   1.959   8.038
  256   1HG   LYS  34          2HG       LYS  34   4.626  -0.202   7.969
  257   2HG   LYS  34          1HG       LYS  34   3.762   0.202   9.451
  258   1HD   LYS  34          2HD       LYS  34   1.781  -0.627   8.686
  259   2HD   LYS  34          1HD       LYS  34   2.146  -0.240   7.004
  260   1HE   LYS  34          2HE       LYS  34   3.202  -2.543   8.630
  261   2HE   LYS  34          1HE       LYS  34   2.131  -2.616   7.230
  262   1HZ   LYS  34          1HZ       LYS  34   4.913  -1.581   7.123
  263   2HZ   LYS  34          2HZ       LYS  34   3.882  -1.902   5.815
  264   3HZ   LYS  34          3HZ       LYS  34   4.484  -3.180   6.755
  265    H    CYS  35           H        CYS  35   6.323   2.294   7.192
  266    HA   CYS  35           HA       CYS  35   7.782   0.822   5.323
  267   1HB   CYS  35          2HB       CYS  35   8.722   2.578   6.795
  268   2HB   CYS  35          1HB       CYS  35   8.555   1.495   8.172
  269    H    SER  36           H        SER  36   9.095  -1.100   5.740
  270    HA   SER  36           HA       SER  36   7.498  -3.183   6.975
  271   1HB   SER  36          2HB       SER  36  10.094  -3.323   5.424
  272   2HB   SER  36          1HB       SER  36   9.165  -4.718   5.977
  273    HG   SER  36           HG       SER  36   8.223  -2.689   4.208
  274    H    SER  37           H        SER  37  10.218  -1.210   7.708
  275    HA   SER  37           HA       SER  37  10.880  -2.973   9.974
  276   1HB   SER  37          2HB       SER  37  12.733  -0.800   9.118
  277   2HB   SER  37          1HB       SER  37  13.094  -2.394   9.783
  278    HG   SER  37           HG       SER  37  13.270  -1.748   7.302
  279    H    CYS  38           H        CYS  38  10.513   0.463   9.082
  280    HA   CYS  38           HA       CYS  38  10.620   1.347  11.810
  281   1HB   CYS  38          2HB       CYS  38   9.547   2.800   9.386
  282   2HB   CYS  38          1HB       CYS  38   9.976   3.525  10.931
  283    H    GLN  39           H        GLN  39   8.130   0.585   9.481
  284    HA   GLN  39           HA       GLN  39   5.902   0.257   9.622
  285   1HB   GLN  39          2HB       GLN  39   6.765  -0.277  12.420
  286   2HB   GLN  39          1HB       GLN  39   5.044  -0.069  12.118
  287   1HG   GLN  39          2HG       GLN  39   4.886  -2.132  11.333
  288   2HG   GLN  39          1HG       GLN  39   6.156  -1.821  10.150
  289   1HE2  GLN  39          1HE2      GLN  39   8.059  -2.799  10.402
  290   2HE2  GLN  39          2HE2      GLN  39   8.535  -3.717  11.786
  291    H    ALA  40           H        ALA  40   7.080   2.884   9.726
  292    HA   ALA  40           HA       ALA  40   4.981   4.410  11.055
  293   1HB   ALA  40          1HB       ALA  40   7.385   5.613   9.721
  294   2HB   ALA  40          2HB       ALA  40   6.366   6.292  10.992
  295   3HB   ALA  40          3HB       ALA  40   7.486   4.981  11.365
  296    H    GLN  41           H        GLN  41   3.767   5.788   9.825
  297    HA   GLN  41           HA       GLN  41   2.932   4.816   7.356
  298   1HB   GLN  41          2HB       GLN  41   1.622   6.232   9.014
  299   2HB   GLN  41          1HB       GLN  41   2.434   7.626   8.318
  300   1HG   GLN  41          2HG       GLN  41   1.523   6.569   6.071
  301   2HG   GLN  41          1HG       GLN  41   0.328   5.886   7.175
  302   1HE2  GLN  41          1HE2      GLN  41  -1.454   7.047   6.948
  303   2HE2  GLN  41          2HE2      GLN  41  -1.541   8.778   6.984
  304    H    LEU  42           H        LEU  42   3.593   5.094   5.351
  305    HA   LEU  42           HA       LEU  42   5.931   6.635   4.801
  306   1HB   LEU  42          2HB       LEU  42   4.358   4.601   3.492
  307   2HB   LEU  42          1HB       LEU  42   4.756   5.881   2.364
  308    HG   LEU  42           HG       LEU  42   6.710   4.864   2.032
  309   1HD1  LEU  42          1HD1      LEU  42   7.548   5.087   4.879
  310   2HD1  LEU  42          2HD1      LEU  42   8.461   5.406   3.406
  311   3HD1  LEU  42          3HD1      LEU  42   7.244   6.559   3.956
  312   1HD2  LEU  42          1HD2      LEU  42   5.469   2.880   3.161
  313   2HD2  LEU  42          2HD2      LEU  42   7.213   2.796   2.911
  314   3HD2  LEU  42          3HD2      LEU  42   6.569   3.197   4.502
  315    H    GLY  43           H        GLY  43   2.853   7.640   5.191
  316   1HA   GLY  43          1HA       GLY  43   3.013   9.695   3.087
  317   2HA   GLY  43          2HA       GLY  43   1.541   9.215   3.920
  318    H    ASP  44           H        ASP  44   3.971   9.357   6.168
  319    HA   ASP  44           HA       ASP  44   3.092  12.015   7.042
  320   1HB   ASP  44          2HB       ASP  44   2.837  10.291   8.720
  321   2HB   ASP  44          1HB       ASP  44   4.513   9.790   8.521
  322    H    ILE  45           H        ILE  45   6.030  10.116   6.545
  323    HA   ILE  45           HA       ILE  45   7.720  12.471   6.777
  324    HB   ILE  45           HB       ILE  45   9.549  10.799   6.124
  325   1HG1  ILE  45          2HG1      ILE  45   7.738   8.638   7.072
  326   1HG2  ILE  45          1HG2      ILE  45   7.985  10.374   8.668
  327   2HG2  ILE  45          2HG2      ILE  45   9.659   9.889   8.400
  328   3HG2  ILE  45          3HG2      ILE  45   9.227  11.599   8.399
  329   1HD1  ILE  45          1HD1      ILE  45  10.275   8.535   6.386
  330   2HD1  ILE  45          2HD1      ILE  45   9.165   7.208   6.043
  331   3HD1  ILE  45          3HD1      ILE  45   9.582   8.359   4.772
  332    H    GLY  46           H        GLY  46   6.098  13.093   4.927
  333   1HA   GLY  46          1HA       GLY  46   6.262  13.968   2.715
  334   2HA   GLY  46          2HA       GLY  46   7.526  12.788   2.374
  335    H    THR  47           H        THR  47   6.234  12.234   0.444
  336    HA   THR  47           HA       THR  47   4.361  10.118   1.202
  337    HB   THR  47           HB       THR  47   3.121  11.077  -1.054
  338    HG1  THR  47           1HG      THR  47   4.253  13.041  -1.010
  339   1HG2  THR  47          1HG2      THR  47   1.402  10.837   0.343
  340   2HG2  THR  47          2HG2      THR  47   1.889  12.284   1.224
  341   3HG2  THR  47          3HG2      THR  47   2.532  10.709   1.689
  342    H    SER  48           H        SER  48   5.589   8.469   0.489
  343    HA   SER  48           HA       SER  48   5.685   8.012  -2.318
  344   1HB   SER  48          2HB       SER  48   8.390   7.509  -1.637
  345   2HB   SER  48          1HB       SER  48   7.769   8.685  -2.793
  346    HG   SER  48           HG       SER  48   8.767   9.994  -1.437
  347    H    SER  49           H        SER  49   5.048   5.951  -2.434
  348    HA   SER  49           HA       SER  49   5.947   4.096  -0.353
  349   1HB   SER  49          2HB       SER  49   4.159   2.689  -1.885
  350   2HB   SER  49          1HB       SER  49   3.766   3.566  -0.408
  351    HG   SER  49           HG       SER  49   2.700   3.987  -2.700
  352    H    TYR  50           H        TYR  50   7.698   3.048  -0.838
  353    HA   TYR  50           HA       TYR  50   8.644   2.857  -3.549
  354   1HB   TYR  50          2HB       TYR  50   9.752   2.020  -0.882
  355   2HB   TYR  50          1HB       TYR  50  10.539   1.554  -2.384
  356    HD1  TYR  50           1HD      TYR  50  11.078   3.578   0.143
  357    HD2  TYR  50           2HD      TYR  50  10.343   3.978  -4.041
  358    HE1  TYR  50           1HE      TYR  50  12.293   5.704   0.132
  359    HE2  TYR  50           2HE      TYR  50  11.576   6.099  -4.046
  360    HH   TYR  50           HH       TYR  50  13.630   7.040  -2.167
  361    H    THR  51           H        THR  51   9.438   0.828  -4.468
  362    HA   THR  51           HA       THR  51   7.913  -1.529  -3.575
  363    HB   THR  51           HB       THR  51   8.353  -1.257  -6.489
  364    HG1  THR  51           1HG      THR  51   6.968   0.612  -5.019
  365   1HG2  THR  51          1HG2      THR  51   6.781  -2.845  -6.553
  366   2HG2  THR  51          2HG2      THR  51   5.682  -1.894  -5.554
  367   3HG2  THR  51          3HG2      THR  51   6.904  -2.914  -4.796
  368    H    LYS  52           H        LYS  52   9.443  -2.877  -2.881
  369    HA   LYS  52           HA       LYS  52  11.520  -3.737  -4.722
  370   1HB   LYS  52          2HB       LYS  52  12.051  -2.067  -2.358
  371   2HB   LYS  52          1HB       LYS  52  13.004  -3.541  -2.421
  372   1HG   LYS  52          2HG       LYS  52  12.894  -1.360  -4.485
  373   2HG   LYS  52          1HG       LYS  52  14.248  -1.771  -3.431
  374   1HD   LYS  52          2HD       LYS  52  14.426  -3.948  -4.524
  375   2HD   LYS  52          1HD       LYS  52  13.079  -3.523  -5.580
  376   1HE   LYS  52          2HE       LYS  52  14.898  -1.408  -5.777
  377   2HE   LYS  52          1HE       LYS  52  15.871  -2.878  -5.831
  378   1HZ   LYS  52          1HZ       LYS  52  14.687  -1.820  -7.964
  379   2HZ   LYS  52          2HZ       LYS  52  13.468  -2.889  -7.466
  380   3HZ   LYS  52          3HZ       LYS  52  15.019  -3.476  -7.811
  381    H    SER  53           H        SER  53  11.556  -5.897  -4.642
  382    HA   SER  53           HA       SER  53  11.353  -8.050  -3.907
  383   1HB   SER  53          2HB       SER  53  11.352  -6.937  -1.090
  384   2HB   SER  53          1HB       SER  53  11.725  -8.591  -1.583
  385    HG   SER  53           HG       SER  53  13.420  -7.292  -2.943
  386    H    GLY  54           H        GLY  54   9.055  -6.006  -4.102
  387   1HA   GLY  54          1HA       GLY  54   6.743  -6.191  -3.996
  388   2HA   GLY  54          2HA       GLY  54   6.931  -7.774  -3.248
  389    H    MET  55           H        MET  55   8.808  -5.378  -1.828
  390    HA   MET  55           HA       MET  55   6.987  -5.239   0.471
  391   1HB   MET  55          2HB       MET  55   9.760  -5.833   0.210
  392   2HB   MET  55          1HB       MET  55   9.626  -4.311   1.076
  393   1HG   MET  55          2HG       MET  55   9.031  -5.341   2.933
  394   2HG   MET  55          1HG       MET  55   7.749  -6.226   2.105
  395   1HE   MET  55          1HE       MET  55  11.669  -6.186   2.786
  396   2HE   MET  55          2HE       MET  55  12.120  -7.704   2.010
  397   3HE   MET  55          3HE       MET  55  11.482  -6.376   1.043
  398    H    ILE  56           H        ILE  56   6.955  -3.254   1.681
  399    HA   ILE  56           HA       ILE  56   7.527  -0.874   0.035
  400    HB   ILE  56           HB       ILE  56   5.383  -1.020   2.155
  401   1HG1  ILE  56          2HG1      ILE  56   5.359  -1.918  -0.657
  402   1HG2  ILE  56          1HG2      ILE  56   5.996   0.987  -0.012
  403   2HG2  ILE  56          2HG2      ILE  56   4.561   1.024   1.013
  404   3HG2  ILE  56          3HG2      ILE  56   6.162   1.215   1.729
  405   1HD1  ILE  56          1HD1      ILE  56   3.591  -0.881  -1.492
  406   2HD1  ILE  56          2HD1      ILE  56   2.712  -0.976   0.034
  407   3HD1  ILE  56          3HD1      ILE  56   3.847   0.341  -0.249
  408    H    LEU  57           H        LEU  57   8.973   0.475   0.863
  409    HA   LEU  57           HA       LEU  57   9.534   0.377   3.751
  410   1HB   LEU  57          2HB       LEU  57  11.650   0.640   1.621
  411   2HB   LEU  57          1HB       LEU  57  11.887   0.365   3.334
  412    HG   LEU  57           HG       LEU  57  10.339  -1.797   2.386
  413   1HD1  LEU  57          1HD1      LEU  57  12.662  -1.122   0.592
  414   2HD1  LEU  57          2HD1      LEU  57  11.899  -2.711   0.673
  415   3HD1  LEU  57          3HD1      LEU  57  10.969  -1.313   0.131
  416   1HD2  LEU  57          1HD2      LEU  57  12.111  -1.646   4.210
  417   2HD2  LEU  57          2HD2      LEU  57  12.108  -3.103   3.220
  418   3HD2  LEU  57          3HD2      LEU  57  13.296  -1.837   2.920
  419    H    CYS  58           H        CYS  58  10.952   2.252   4.419
  420    HA   CYS  58           HA       CYS  58   9.873   4.722   3.371
  421   1HB   CYS  58          2HB       CYS  58  11.112   5.790   5.186
  422   2HB   CYS  58          1HB       CYS  58  10.190   4.425   5.808
  423    H    ARG  59           H        ARG  59  11.900   6.501   3.432
  424    HA   ARG  59           HA       ARG  59  13.399   5.851   1.075
  425   1HB   ARG  59          2HB       ARG  59  14.455   8.107   2.576
  426   2HB   ARG  59          1HB       ARG  59  13.839   8.046   0.933
  427   1HG   ARG  59          2HG       ARG  59  11.855   7.951   3.122
  428   2HG   ARG  59          1HG       ARG  59  12.699   9.477   2.853
  429   1HD   ARG  59          2HD       ARG  59  11.921   9.627   0.626
  430   2HD   ARG  59          1HD       ARG  59  11.369   7.949   0.633
  431    HE   ARG  59           HE       ARG  59  10.067  10.231   1.944
  432   1HH1  ARG  59          2HH1      ARG  59  10.033   6.861   1.020
  433   2HH1  ARG  59          1HH1      ARG  59   8.377   6.613   1.458
  434   1HH2  ARG  59          2HH2      ARG  59   7.912   9.913   2.601
  435   2HH2  ARG  59          1HH2      ARG  59   7.162   8.362   2.388
  436    H    ASN  60           H        ASN  60  14.239   6.424   4.474
  437    HA   ASN  60           HA       ASN  60  16.964   5.879   4.314
  438   1HB   ASN  60          2HB       ASN  60  16.004   6.833   6.316
  439   2HB   ASN  60          1HB       ASN  60  15.026   5.394   6.586
  440   1HD2  ASN  60          1HD2      ASN  60  15.763   4.465   8.351
  441   2HD2  ASN  60          2HD2      ASN  60  17.429   4.106   8.693
  442    H    ASP  61           H        ASP  61  14.287   3.638   5.044
  443    HA   ASP  61           HA       ASP  61  15.893   1.337   5.294
  444   1HB   ASP  61          2HB       ASP  61  13.030   1.918   5.080
  445   2HB   ASP  61          1HB       ASP  61  13.490   0.360   4.396
  446    H    TYR  62           H        TYR  62  14.280   2.758   2.490
  447    HA   TYR  62           HA       TYR  62  14.681   0.697   0.671
  448   1HB   TYR  62          2HB       TYR  62  13.305   2.732   0.266
  449   2HB   TYR  62          1HB       TYR  62  14.789   3.659   0.073
  450    HD1  TYR  62           1HD      TYR  62  13.156   0.584  -1.282
  451    HD2  TYR  62           2HD      TYR  62  15.592   3.981  -2.057
  452    HE1  TYR  62           1HE      TYR  62  13.231  -0.025  -3.668
  453    HE2  TYR  62           2HE      TYR  62  15.673   3.392  -4.443
  454    HH   TYR  62           HH       TYR  62  15.370   0.946  -5.739
  455    H    ILE  63           H        ILE  63  16.797   3.473   1.374
  456    HA   ILE  63           HA       ILE  63  18.805   2.647  -0.462
  457    HB   ILE  63           HB       ILE  63  19.556   4.378   1.840
  458   1HG1  ILE  63          2HG1      ILE  63  17.259   5.114   1.227
  459   1HG2  ILE  63          1HG2      ILE  63  20.175   4.234  -1.088
  460   2HG2  ILE  63          2HG2      ILE  63  20.568   5.666  -0.137
  461   3HG2  ILE  63          3HG2      ILE  63  21.271   4.107   0.289
  462   1HD1  ILE  63          1HD1      ILE  63  16.584   5.826  -0.815
  463   2HD1  ILE  63          2HD1      ILE  63  18.220   6.223  -1.344
  464   3HD1  ILE  63          3HD1      ILE  63  17.686   4.542  -1.312
  465    H    ARG  64           H        ARG  64  18.317   2.163   2.994
  466    HA   ARG  64           HA       ARG  64  20.896   1.068   3.484
  467   1HB   ARG  64          2HB       ARG  64  18.317   0.896   5.042
  468   2HB   ARG  64          1HB       ARG  64  19.849   0.255   5.622
  469   1HG   ARG  64          2HG       ARG  64  20.287   2.937   4.823
  470   2HG   ARG  64          1HG       ARG  64  18.828   2.899   5.817
  471   1HD   ARG  64          2HD       ARG  64  20.820   3.259   7.181
  472   2HD   ARG  64          1HD       ARG  64  20.049   1.721   7.572
  473    HE   ARG  64           HE       ARG  64  21.871   0.592   6.718
  474   1HH1  ARG  64          2HH1      ARG  64  22.173   4.038   6.116
  475   2HH1  ARG  64          1HH1      ARG  64  23.815   3.921   5.558
  476   1HH2  ARG  64          2HH2      ARG  64  24.038   0.445   5.962
  477   2HH2  ARG  64          1HH2      ARG  64  24.857   1.893   5.432
  478    H    LEU  65           H        LEU  65  17.713  -0.401   2.934
  479    HA   LEU  65           HA       LEU  65  18.574  -3.054   3.351
  480   1HB   LEU  65          2HB       LEU  65  16.147  -1.736   2.852
  481   2HB   LEU  65          1HB       LEU  65  16.320  -2.899   1.554
  482    HG   LEU  65           HG       LEU  65  15.033  -3.865   3.356
  483   1HD1  LEU  65          1HD1      LEU  65  16.700  -5.758   3.998
  484   2HD1  LEU  65          2HD1      LEU  65  16.186  -5.561   2.322
  485   3HD1  LEU  65          3HD1      LEU  65  17.760  -4.955   2.838
  486   1HD2  LEU  65          1HD2      LEU  65  15.652  -2.689   5.274
  487   2HD2  LEU  65          2HD2      LEU  65  16.276  -4.314   5.545
  488   3HD2  LEU  65          3HD2      LEU  65  17.368  -3.024   5.040
  489    H    PHE  66           H        PHE  66  17.751  -1.406   0.283
  490    HA   PHE  66           HA       PHE  66  19.311  -3.503  -1.077
  491   1HB   PHE  66          2HB       PHE  66  17.061  -1.898  -2.288
  492   2HB   PHE  66          1HB       PHE  66  17.806  -3.359  -2.928
  493    HD1  PHE  66           1HD      PHE  66  15.170  -2.028  -0.952
  494    HD2  PHE  66           2HD      PHE  66  17.555  -5.500  -1.556
  495    HE1  PHE  66           1HE      PHE  66  13.474  -3.390   0.201
  496    HE2  PHE  66           2HE      PHE  66  15.864  -6.866  -0.407
  497    HZ   PHE  66           HZ       PHE  66  13.824  -5.810   0.478
  498    H    GLY  67           H        GLY  67  18.500  -0.056  -1.140
  499   1HA   GLY  67          1HA       GLY  67  19.871   1.709  -1.787
  500   2HA   GLY  67          2HA       GLY  67  21.098   0.549  -2.272
  501    H    ASN  68           H        ASN  68  19.825  -0.984  -4.089
  502    HA   ASN  68           HA       ASN  68  20.061   0.377  -6.456
  503   1HB   ASN  68          2HB       ASN  68  19.960  -2.120  -6.149
  504   2HB   ASN  68          1HB       ASN  68  18.210  -1.975  -6.045
  505   1HD2  ASN  68          1HD2      ASN  68  20.832  -2.379  -8.077
  506   2HD2  ASN  68          2HD2      ASN  68  20.021  -2.144  -9.593
  507    H    SER  69           H        SER  69  19.020   2.176  -6.946
  508    HA   SER  69           HA       SER  69  16.104   2.288  -6.569
  509   1HB   SER  69          2HB       SER  69  17.190   4.862  -7.149
  510   2HB   SER  69          1HB       SER  69  16.471   4.300  -5.642
  511    HG   SER  69           HG       SER  69  18.620   3.372  -5.190
  512    H    GLY  70           H        GLY  70  15.219   4.089  -8.245
  513   1HA   GLY  70          1HA       GLY  70  15.805   2.967 -10.886
  514   2HA   GLY  70          2HA       GLY  70  14.485   4.056 -10.479
  515    H    ALA  71           H        ALA  71  16.656   5.620  -8.961
  516    HA   ALA  71           HA       ALA  71  17.910   7.486  -9.284
  517   1HB   ALA  71          1HB       ALA  71  18.742   6.356 -11.943
  518   2HB   ALA  71          2HB       ALA  71  19.648   7.425 -10.870
  519   3HB   ALA  71          3HB       ALA  71  19.375   5.743 -10.414
  520    H    GLY  72           H        GLY  72  15.277   7.775  -9.861
  521   1HA   GLY  72          1HA       GLY  72  15.347   9.561 -12.212
  522   2HA   GLY  72          2HA       GLY  72  13.964   8.542 -11.847
  523    H    GLY  73           H        GLY  73  13.583   8.880  -9.185
  524   1HA   GLY  73          1HA       GLY  73  12.609  10.326  -7.676
  525   2HA   GLY  73          2HA       GLY  73  13.613  11.607  -8.345
  526    H    SER  74           H        SER  74  12.146  13.215  -8.602
  527    HA   SER  74           HA       SER  74  10.371  12.932 -10.846
  528   1HB   SER  74          2HB       SER  74   9.202  13.602  -8.135
  529   2HB   SER  74          1HB       SER  74   8.343  13.735  -9.668
  530    HG   SER  74           HG       SER  74   9.468  11.295  -9.419
  531    H    GLY  75           H        GLY  75  11.965  14.814  -8.426
  532   1HA   GLY  75          1HA       GLY  75  13.019  16.884  -9.310
  533   2HA   GLY  75          2HA       GLY  75  11.453  17.252 -10.021
  534    H    GLY  76           H        GLY  76  11.855  15.830  -6.861
  535   1HA   GLY  76          1HA       GLY  76  10.245  17.868  -5.652
  536   2HA   GLY  76          2HA       GLY  76  11.022  16.524  -4.828
  537    H    HIS  77           H        HIS  77  10.788  19.481  -4.273
  538    HA   HIS  77           HA       HIS  77  13.647  20.164  -4.206
  539   1HB   HIS  77          2HB       HIS  77  11.151  21.839  -3.958
  540   2HB   HIS  77          1HB       HIS  77  12.753  22.466  -3.582
  541    HD1  HIS  77           1HD      HIS  77  10.572  23.019  -6.065
  542    HD2  HIS  77           2HD      HIS  77  14.388  21.373  -6.166
  543    HE1  HIS  77           1HE      HIS  77  11.396  23.350  -8.423
  544    HE2  HIS  77           2HE      HIS  77  13.792  22.560  -8.386
  545    H    MET  78           H        MET  78  11.470  18.646  -2.350
  546    HA   MET  78           HA       MET  78  13.002  19.088   0.047
  547   1HB   MET  78          2HB       MET  78  10.657  20.617  -0.308
  548   2HB   MET  78          1HB       MET  78  10.237  19.344   0.828
  549   1HG   MET  78          2HG       MET  78  12.430  20.039   2.025
  550   2HG   MET  78          1HG       MET  78  12.254  21.527   1.098
  551   1HE   MET  78          1HE       MET  78  11.483  21.850   4.874
  552   2HE   MET  78          2HE       MET  78  12.680  21.974   3.583
  553   3HE   MET  78          3HE       MET  78  11.473  23.242   3.791
  554    H    GLY  79           H        GLY  79  13.001  16.858  -1.314
  555   1HA   GLY  79          1HA       GLY  79  10.847  15.081  -0.667
  556   2HA   GLY  79          2HA       GLY  79  12.354  14.652  -1.459
  557    H    SER  80           H        SER  80  13.925  13.669  -0.315
  558    HA   SER  80           HA       SER  80  13.246  12.674   2.276
  559   1HB   SER  80          2HB       SER  80  15.947  12.081   1.711
  560   2HB   SER  80          1HB       SER  80  14.548  11.024   1.499
  561    HG   SER  80           HG       SER  80  15.527  11.189  -0.481
  562    H    GLY  81           H        GLY  81  15.658  14.940   0.999
  563   1HA   GLY  81          1HA       GLY  81  15.694  16.610   3.211
  564   2HA   GLY  81          2HA       GLY  81  16.947  15.409   3.498
  565    H    GLY  82           H        GLY  82  15.856  17.950   1.336
  566   1HA   GLY  82          1HA       GLY  82  17.822  19.485   0.771
  567   2HA   GLY  82          2HA       GLY  82  18.542  18.020   0.118
  568    H    ASP  83           H        ASP  83  18.531  19.571  -1.819
  569    HA   ASP  83           HA       ASP  83  15.933  19.699  -3.140
  570   1HB   ASP  83          2HB       ASP  83  17.858  21.540  -3.066
  571   2HB   ASP  83          1HB       ASP  83  18.403  20.662  -4.494
  572    H    VAL  84           H        VAL  84  16.066  19.290  -5.612
  573    HA   VAL  84           HA       VAL  84  16.583  16.506  -5.919
  574    HB   VAL  84           HB       VAL  84  14.697  17.288  -7.087
  575   1HG1  VAL  84          1HG1      VAL  84  15.981  19.197  -8.902
  576   2HG1  VAL  84          2HG1      VAL  84  14.444  19.300  -8.043
  577   3HG1  VAL  84          3HG1      VAL  84  15.948  19.699  -7.212
  578   1HG2  VAL  84          1HG2      VAL  84  15.302  17.010  -9.543
  579   2HG2  VAL  84          2HG2      VAL  84  16.967  16.812  -8.996
  580   3HG2  VAL  84          3HG2      VAL  84  15.722  15.682  -8.460
  581    H    MET  85           H        MET  85  18.516  15.673  -6.216
  582    HA   MET  85           HA       MET  85  20.673  15.351  -6.841
  583   1HB   MET  85          2HB       MET  85  19.347  16.463  -9.208
  584   2HB   MET  85          1HB       MET  85  21.088  16.702  -9.204
  585   1HG   MET  85          2HG       MET  85  20.834  14.075  -8.450
  586   2HG   MET  85          1HG       MET  85  19.529  14.279  -9.613
  587   1HE   MET  85          1HE       MET  85  24.013  14.512 -10.252
  588   2HE   MET  85          2HE       MET  85  23.304  16.096  -9.935
  589   3HE   MET  85          3HE       MET  85  23.108  14.793  -8.763
  590    H    VAL  86           H        VAL  86  20.589  17.102  -4.948
  591    HA   VAL  86           HA       VAL  86  21.574  19.695  -5.512
  592    HB   VAL  86           HB       VAL  86  20.462  19.464  -3.453
  593   1HG1  VAL  86          1HG1      VAL  86  20.838  16.972  -3.332
  594   2HG1  VAL  86          2HG1      VAL  86  22.379  17.330  -2.548
  595   3HG1  VAL  86          3HG1      VAL  86  20.865  17.832  -1.792
  596   1HG2  VAL  86          1HG2      VAL  86  22.553  19.652  -1.758
  597   2HG2  VAL  86          2HG2      VAL  86  23.359  19.961  -3.296
  598   3HG2  VAL  86          3HG2      VAL  86  22.001  20.968  -2.792
  599    H    VAL  87           H        VAL  87  23.110  16.610  -4.934
  600    HA   VAL  87           HA       VAL  87  25.762  17.854  -4.907
  601    HB   VAL  87           HB       VAL  87  25.063  14.923  -4.656
  602   1HG1  VAL  87          1HG1      VAL  87  27.622  16.391  -4.015
  603   2HG1  VAL  87          2HG1      VAL  87  27.334  14.661  -3.832
  604   3HG1  VAL  87          3HG1      VAL  87  27.354  15.386  -5.439
  605   1HG2  VAL  87          1HG2      VAL  87  25.133  17.113  -2.676
  606   2HG2  VAL  87          2HG2      VAL  87  24.212  15.611  -2.674
  607   3HG2  VAL  87          3HG2      VAL  87  25.910  15.606  -2.200
  608    H    GLY  88           H        GLY  88  25.650  18.616  -7.072
  609   1HA   GLY  88          1HA       GLY  88  26.982  17.527  -9.054
  610   2HA   GLY  88          2HA       GLY  88  25.506  16.577  -9.169
  611    H    GLU  89           H        GLU  89  25.440  17.519 -11.341
  612    HA   GLU  89           HA       GLU  89  24.846  20.332 -11.587
  613   1HB   GLU  89          2HB       GLU  89  24.804  18.019 -13.520
  614   2HB   GLU  89          1HB       GLU  89  24.273  19.632 -13.977
  615   1HG   GLU  89          2HG       GLU  89  27.011  18.934 -12.933
  616   2HG   GLU  89          1HG       GLU  89  26.594  19.175 -14.628
  617    HA   PRO  90           HA       PRO  90  20.572  20.183 -10.591
  618   1HB   PRO  90          2HB       PRO  90  19.714  22.245 -12.220
  619   2HB   PRO  90          1HB       PRO  90  20.444  22.450 -10.626
  620   1HG   PRO  90          2HG       PRO  90  21.693  22.677 -13.329
  621   2HG   PRO  90          1HG       PRO  90  21.958  23.666 -11.881
  622   1HD   PRO  90          2HD       PRO  90  23.708  21.780 -12.635
  623   2HD   PRO  90          1HD       PRO  90  23.373  22.102 -10.921
  624    H    THR  91           H        THR  91  20.140  18.159 -11.547
  625    HA   THR  91           HA       THR  91  18.518  18.356 -13.976
  626    HB   THR  91           HB       THR  91  20.017  15.834 -13.771
  627    HG1  THR  91           1HG      THR  91  21.592  17.531 -13.152
  628   1HG2  THR  91          1HG2      THR  91  20.225  17.435 -16.211
  629   2HG2  THR  91          2HG2      THR  91  18.565  17.164 -15.686
  630   3HG2  THR  91          3HG2      THR  91  19.627  15.790 -15.982
  631    H    LEU  92           H        LEU  92  16.618  17.285 -13.771
  632    HA   LEU  92           HA       LEU  92  15.845  16.281 -11.254
  633   1HB   LEU  92          2HB       LEU  92  14.625  16.632 -13.896
  634   2HB   LEU  92          1HB       LEU  92  13.976  15.273 -13.000
  635    HG   LEU  92           HG       LEU  92  13.290  16.695 -11.191
  636   1HD1  LEU  92          1HD1      LEU  92  13.873  18.893 -10.883
  637   2HD1  LEU  92          2HD1      LEU  92  15.350  18.253 -11.605
  638   3HD1  LEU  92          3HD1      LEU  92  14.206  19.161 -12.595
  639   1HD2  LEU  92          1HD2      LEU  92  11.456  17.069 -12.373
  640   2HD2  LEU  92          2HD2      LEU  92  12.195  18.540 -13.005
  641   3HD2  LEU  92          3HD2      LEU  92  12.373  17.017 -13.879
  642    H    MET  93           H        MET  93  16.449  14.630 -14.331
  643    HA   MET  93           HA       MET  93  17.110  12.206 -12.802
  644   1HB   MET  93          2HB       MET  93  14.923  11.935 -13.976
  645   2HB   MET  93          1HB       MET  93  15.740  12.250 -15.501
  646   1HG   MET  93          2HG       MET  93  17.257  10.241 -14.541
  647   2HG   MET  93          1HG       MET  93  15.694   9.829 -13.838
  648   1HE   MET  93          1HE       MET  93  18.023   9.363 -16.232
  649   2HE   MET  93          2HE       MET  93  17.223   8.367 -17.449
  650   3HE   MET  93          3HE       MET  93  17.445  10.094 -17.731
  651    H    GLY  94           H        GLY  94  19.300  12.695 -12.879
  652   1HA   GLY  94          1HA       GLY  94  20.515  12.519 -15.558
  653   2HA   GLY  94          2HA       GLY  94  20.945  13.843 -14.485
  654    H    GLY  95           H        GLY  95  20.604  10.301 -14.178
  655   1HA   GLY  95          1HA       GLY  95  22.445   8.829 -13.840
  656   2HA   GLY  95          2HA       GLY  95  23.401  10.195 -13.282
  657    H    GLU  96           H        GLU  96  21.995  11.319 -11.353
  658    HA   GLU  96           HA       GLU  96  21.746   9.190  -9.346
  659   1HB   GLU  96          2HB       GLU  96  23.273  11.372  -9.182
  660   2HB   GLU  96          1HB       GLU  96  21.771  12.080  -8.608
  661   1HG   GLU  96          2HG       GLU  96  23.131  11.352  -6.750
  662   2HG   GLU  96          1HG       GLU  96  21.652  10.396  -6.842
  663    H    PHE  97           H        PHE  97  19.918   9.168  -7.949
  664    HA   PHE  97           HA       PHE  97  17.490  10.065  -9.176
  665   1HB   PHE  97          2HB       PHE  97  16.345   9.117  -7.202
  666   2HB   PHE  97          1HB       PHE  97  17.427   7.971  -7.967
  667    HD1  PHE  97           1HD      PHE  97  19.913   9.463  -6.500
  668    HD2  PHE  97           2HD      PHE  97  16.268   7.641  -5.272
  669    HE1  PHE  97           1HE      PHE  97  20.907   8.950  -4.315
  670    HE2  PHE  97           2HE      PHE  97  17.257   7.138  -3.080
  671    HZ   PHE  97           HZ       PHE  97  19.577   7.793  -2.596
  672    H    GLY  98           H        GLY  98  16.752  12.018  -9.097
  673   1HA   GLY  98          1HA       GLY  98  18.006  14.115  -7.935
  674   2HA   GLY  98          2HA       GLY  98  16.321  14.170  -8.423
  675    H    ASP  99           H        ASP  99  14.776  13.224  -6.776
  676    HA   ASP  99           HA       ASP  99  15.508  14.307  -4.156
  677   1HB   ASP  99          2HB       ASP  99  12.947  14.051  -3.790
  678   2HB   ASP  99          1HB       ASP  99  13.526  15.345  -4.837
  679    H    GLU 100           H        GLU 100  12.895  12.066  -4.508
  680    HA   GLU 100           HA       GLU 100  14.398  10.078  -2.946
  681   1HB   GLU 100          2HB       GLU 100  11.422  10.045  -3.413
  682   2HB   GLU 100          1HB       GLU 100  12.338   9.221  -2.159
  683   1HG   GLU 100          2HG       GLU 100  12.376  11.022  -0.813
  684   2HG   GLU 100          1HG       GLU 100  12.512  12.159  -2.156
  685    H    ASP 101           H        ASP 101  11.559   9.129  -4.647
  686    HA   ASP 101           HA       ASP 101  12.610   8.626  -7.171
  687   1HB   ASP 101          2HB       ASP 101  13.670   6.797  -5.381
  688   2HB   ASP 101          1HB       ASP 101  12.322   5.919  -6.105
  689    H    GLU 102           H        GLU 102  10.531   7.072  -4.748
  690    HA   GLU 102           HA       GLU 102   8.576   6.503  -6.785
  691   1HB   GLU 102          2HB       GLU 102   9.207   5.455  -4.192
  692   2HB   GLU 102          1HB       GLU 102   7.489   5.820  -4.304
  693   1HG   GLU 102          2HG       GLU 102   9.124   3.899  -5.893
  694   2HG   GLU 102          1HG       GLU 102   7.599   3.641  -5.044
  695    H    ARG 103           H        ARG 103   6.259   6.905  -6.325
  696    HA   ARG 103           HA       ARG 103   5.512   9.063  -4.593
  697   1HB   ARG 103          2HB       ARG 103   6.593  10.095  -6.747
  698   2HB   ARG 103          1HB       ARG 103   5.064   9.660  -7.498
  699   1HG   ARG 103          2HG       ARG 103   4.176  11.533  -6.728
  700   2HG   ARG 103          1HG       ARG 103   4.449  10.973  -5.079
  701   1HD   ARG 103          2HD       ARG 103   6.110  12.787  -6.769
  702   2HD   ARG 103          1HD       ARG 103   5.589  12.979  -5.095
  703    HE   ARG 103           HE       ARG 103   7.223  10.860  -4.933
  704   1HH1  ARG 103          2HH1      ARG 103   7.625  14.014  -6.409
  705   2HH1  ARG 103          1HH1      ARG 103   9.345  14.029  -6.169
  706   1HH2  ARG 103          2HH2      ARG 103   9.457  10.899  -4.599
  707   2HH2  ARG 103          1HH2      ARG 103  10.401  12.249  -5.170
  708    H    LEU 104           H        LEU 104   4.832   6.252  -5.444
  709    HA   LEU 104           HA       LEU 104   2.265   6.428  -6.702
  710   1HB   LEU 104          2HB       LEU 104   4.020   4.277  -5.681
  711   2HB   LEU 104          1HB       LEU 104   2.305   3.918  -5.728
  712    HG   LEU 104           HG       LEU 104   3.831   4.911  -8.132
  713   1HD1  LEU 104          1HD1      LEU 104   3.056   2.054  -7.764
  714   2HD1  LEU 104          2HD1      LEU 104   4.307   2.761  -8.790
  715   3HD1  LEU 104          3HD1      LEU 104   4.555   2.648  -7.046
  716   1HD2  LEU 104          1HD2      LEU 104   1.124   3.660  -7.727
  717   2HD2  LEU 104          2HD2      LEU 104   1.493   5.262  -8.364
  718   3HD2  LEU 104          3HD2      LEU 104   1.894   3.825  -9.304
  719    H    ILE 105           H        ILE 105   2.235   8.028  -4.430
  720    HA   ILE 105           HA       ILE 105   0.504   6.523  -2.591
  721    HB   ILE 105           HB       ILE 105   2.059   9.072  -2.156
  722   1HG1  ILE 105          2HG1      ILE 105   2.244   6.248  -1.243
  723   1HG2  ILE 105          1HG2      ILE 105   1.027   8.955   0.179
  724   2HG2  ILE 105          2HG2      ILE 105   0.005   9.554  -1.127
  725   3HG2  ILE 105          3HG2      ILE 105  -0.191   7.901  -0.543
  726   1HD1  ILE 105          1HD1      ILE 105   3.529   8.287   0.496
  727   2HD1  ILE 105          2HD1      ILE 105   1.874   7.778   0.832
  728   3HD1  ILE 105          3HD1      ILE 105   3.177   6.588   0.812
  729    H    THR 106           H        THR 106  -1.505   6.668  -3.240
  730    HA   THR 106           HA       THR 106  -2.562   9.243  -4.190
  731    HB   THR 106           HB       THR 106  -4.290   6.837  -4.140
  732    HG1  THR 106           1HG      THR 106  -2.481   5.832  -4.935
  733   1HG2  THR 106          1HG2      THR 106  -3.885   8.452  -6.579
  734   2HG2  THR 106          2HG2      THR 106  -4.579   9.286  -5.189
  735   3HG2  THR 106          3HG2      THR 106  -5.375   7.853  -5.844
  736    H    ARG 107           H        ARG 107  -2.975  10.391  -2.351
  737    HA   ARG 107           HA       ARG 107  -4.555   9.017  -0.272
  738   1HB   ARG 107          2HB       ARG 107  -2.011   9.885   0.029
  739   2HB   ARG 107          1HB       ARG 107  -2.894  11.319   0.534
  740   1HG   ARG 107          2HG       ARG 107  -3.353   8.569   1.665
  741   2HG   ARG 107          1HG       ARG 107  -2.280   9.770   2.379
  742   1HD   ARG 107          2HD       ARG 107  -4.184  11.309   2.625
  743   2HD   ARG 107          1HD       ARG 107  -5.256  10.081   1.944
  744    HE   ARG 107           HE       ARG 107  -4.803   8.714   3.879
  745   1HH1  ARG 107          2HH1      ARG 107  -3.864  12.087   4.111
  746   2HH1  ARG 107          1HH1      ARG 107  -3.733  12.056   5.850
  747   1HH2  ARG 107          2HH2      ARG 107  -4.578   8.661   6.131
  748   2HH2  ARG 107          1HH2      ARG 107  -4.130  10.103   7.002
  749    H    LEU 108           H        LEU 108  -6.544   9.736  -0.386
  750    HA   LEU 108           HA       LEU 108  -6.928  12.507   0.288
  751   1HB   LEU 108          2HB       LEU 108  -7.830  11.382  -2.291
  752   2HB   LEU 108          1HB       LEU 108  -9.059  12.249  -1.391
  753    HG   LEU 108           HG       LEU 108  -6.811  13.916  -1.339
  754   1HD1  LEU 108          1HD1      LEU 108  -7.110  12.473  -3.936
  755   2HD1  LEU 108          2HD1      LEU 108  -6.588  14.159  -3.905
  756   3HD1  LEU 108          3HD1      LEU 108  -5.643  12.929  -3.068
  757   1HD2  LEU 108          1HD2      LEU 108  -9.528  13.881  -2.416
  758   2HD2  LEU 108          2HD2      LEU 108  -8.667  15.149  -1.544
  759   3HD2  LEU 108          3HD2      LEU 108  -8.424  14.953  -3.279
  760    H    GLU 109           H        GLU 109  -7.648  11.899   2.279
  761    HA   GLU 109           HA       GLU 109 -10.298  10.713   2.336
  762   1HB   GLU 109          2HB       GLU 109  -8.256   9.034   2.866
  763   2HB   GLU 109          1HB       GLU 109  -8.589   9.671   4.470
  764   1HG   GLU 109          2HG       GLU 109  -9.868   7.557   3.248
  765   2HG   GLU 109          1HG       GLU 109 -10.392   8.406   4.693
  766    H    ASN 110           H        ASN 110 -11.518  11.903   3.448
  767    HA   ASN 110           HA       ASN 110 -11.283  12.721   6.030
  768   1HB   ASN 110          2HB       ASN 110  -9.441  14.251   5.063
  769   2HB   ASN 110          1HB       ASN 110 -10.750  15.133   4.283
  770   1HD2  ASN 110          1HD2      ASN 110 -12.363  16.115   5.648
  771   2HD2  ASN 110          2HD2      ASN 110 -11.947  16.601   7.259
  772    H    THR 111           H        THR 111 -12.118  14.278   2.995
  773    HA   THR 111           HA       THR 111 -14.946  13.801   3.453
  774    HB   THR 111           HB       THR 111 -14.807  16.455   2.476
  775    HG1  THR 111           1HG      THR 111 -13.753  17.411   4.392
  776   1HG2  THR 111          1HG2      THR 111 -15.698  16.775   4.993
  777   2HG2  THR 111          2HG2      THR 111 -15.875  15.027   4.838
  778   3HG2  THR 111          3HG2      THR 111 -16.687  16.101   3.699
  779    H    GLN 112           H        GLN 112 -13.105  12.636   1.698
  780    HA   GLN 112           HA       GLN 112 -13.082  13.831  -0.875
  781   1HB   GLN 112          2HB       GLN 112 -12.210  11.708  -1.659
  782   2HB   GLN 112          1HB       GLN 112 -11.444  12.095  -0.121
  783   1HG   GLN 112          2HG       GLN 112 -12.323  10.313   0.906
  784   2HG   GLN 112          1HG       GLN 112 -13.879  10.478   0.096
  785   1HE2  GLN 112          1HE2      GLN 112 -10.541   9.813  -0.902
  786   2HE2  GLN 112          2HE2      GLN 112 -10.922   8.409  -1.847
  787    H    PHE 113           H        PHE 113 -14.080  12.616  -2.817
  788    HA   PHE 113           HA       PHE 113 -16.897  12.646  -2.487
  789   1HB   PHE 113          2HB       PHE 113 -17.068  12.300  -4.795
  790   2HB   PHE 113          1HB       PHE 113 -15.532  13.135  -4.626
  791    HD1  PHE 113           1HD      PHE 113 -17.205  10.305  -5.955
  792    HD2  PHE 113           2HD      PHE 113 -13.408  11.673  -4.606
  793    HE1  PHE 113           1HE      PHE 113 -16.111   8.512  -7.235
  794    HE2  PHE 113           2HE      PHE 113 -12.308   9.881  -5.882
  795    HZ   PHE 113           HZ       PHE 113 -13.658   8.300  -7.203
  796    H    ASP 114           H        ASP 114 -18.054  11.193  -1.521
  797    HA   ASP 114           HA       ASP 114 -18.817   9.232  -0.648
  798   1HB   ASP 114          2HB       ASP 114 -18.386   8.514  -3.190
  799   2HB   ASP 114          1HB       ASP 114 -17.157   7.513  -2.425
  800    H    ALA 115           H        ALA 115 -17.019  10.401   0.780
  801    HA   ALA 115           HA       ALA 115 -14.572   9.067   1.211
  802   1HB   ALA 115          1HB       ALA 115 -16.000  10.716   3.280
  803   2HB   ALA 115          2HB       ALA 115 -14.264  10.495   3.060
  804   3HB   ALA 115          3HB       ALA 115 -15.189  11.436   1.890
  805    H    ALA 116           H        ALA 116 -13.910   7.911   3.098
  806    HA   ALA 116           HA       ALA 116 -15.935   6.017   4.000
  807   1HB   ALA 116          1HB       ALA 116 -14.174   4.665   4.756
  808   2HB   ALA 116          2HB       ALA 116 -13.576   5.364   3.252
  809   3HB   ALA 116          3HB       ALA 116 -13.040   6.016   4.801
  810    H    ASN 117           H        ASN 117 -16.672   5.914   6.077
  811    HA   ASN 117           HA       ASN 117 -15.719   8.032   7.891
  812   1HB   ASN 117          2HB       ASN 117 -18.026   8.406   6.923
  813   2HB   ASN 117          1HB       ASN 117 -18.547   6.964   7.790
  814   1HD2  ASN 117          1HD2      ASN 117 -20.040   8.609   8.711
  815   2HD2  ASN 117          2HD2      ASN 117 -19.510   9.474  10.114
  816    H    GLY 118           H        GLY 118 -15.215   7.466   9.919
  817   1HA   GLY 118          1HA       GLY 118 -14.817   4.737  10.553
  818   2HA   GLY 118          2HA       GLY 118 -14.650   6.089  11.664
  819    H    ILE 119           H        ILE 119 -17.120   7.127  11.811
  820    HA   ILE 119           HA       ILE 119 -19.026   4.998  12.253
  821    HB   ILE 119           HB       ILE 119 -17.926   4.940  14.381
  822   1HG1  ILE 119          2HG1      ILE 119 -20.120   6.533  15.405
  823   1HG2  ILE 119          1HG2      ILE 119 -18.154   7.211  15.752
  824   2HG2  ILE 119          2HG2      ILE 119 -16.736   6.822  14.781
  825   3HG2  ILE 119          3HG2      ILE 119 -17.980   7.888  14.132
  826   1HD1  ILE 119          1HD1      ILE 119 -19.395   4.649  16.639
  827   2HD1  ILE 119          2HD1      ILE 119 -21.011   4.289  16.029
  828   3HD1  ILE 119          3HD1      ILE 119 -19.594   3.583  15.249
  829    H    ASP 120           H        ASP 120 -20.993   5.637  11.756
  830    HA   ASP 120           HA       ASP 120 -21.517   8.489  11.334
  831   1HB   ASP 120          2HB       ASP 120 -22.162   6.853   9.557
  832   2HB   ASP 120          1HB       ASP 120 -23.278   6.105  10.695
  833    H    ASP 121           H        ASP 121 -21.391   8.856  13.617
  834    HA   ASP 121           HA       ASP 121 -23.109   7.485  15.413
  835   1HB   ASP 121          2HB       ASP 121 -20.802   8.797  15.739
  836   2HB   ASP 121          1HB       ASP 121 -21.908  10.080  16.217
  837    H    GLU 122           H        GLU 122 -25.117   7.941  14.238
  838    HA   GLU 122           HA       GLU 122 -26.230  10.604  14.710
  839   1HB   GLU 122          2HB       GLU 122 -27.164   8.203  13.148
  840   2HB   GLU 122          1HB       GLU 122 -28.265   9.515  13.543
  841   1HG   GLU 122          2HG       GLU 122 -25.724   9.743  11.946
  842   2HG   GLU 122          1HG       GLU 122 -27.367   9.773  11.309
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  -7.613  -1.050 -12.048
    2   2H    GLY   1          2H        GLY   1  -8.933  -1.234 -13.097
    3   3H    GLY   1          3H        GLY   1  -8.441  -2.527 -12.115
    4   1HA   GLY   1          2HA       GLY   1  -8.906  -0.440 -10.383
    5   2HA   GLY   1          1HA       GLY   1 -10.239  -0.416 -11.530
    6    H    SER   2           H        SER   2 -10.830  -0.958  -8.963
    7    HA   SER   2           HA       SER   2 -10.910  -3.854  -8.640
    8   1HB   SER   2          2HB       SER   2 -12.249  -2.062  -6.681
    9   2HB   SER   2          1HB       SER   2 -11.230  -3.475  -6.402
   10    HG   SER   2           HG       SER   2 -10.429  -0.833  -7.070
   11    H    LEU   3           H        LEU   3 -12.482  -4.890  -9.658
   12    HA   LEU   3           HA       LEU   3 -14.973  -3.624 -10.363
   13   1HB   LEU   3          2HB       LEU   3 -14.224  -6.544 -10.555
   14   2HB   LEU   3          1HB       LEU   3 -15.540  -5.740 -11.389
   15    HG   LEU   3           HG       LEU   3 -12.647  -5.032 -11.850
   16   1HD1  LEU   3          1HD1      LEU   3 -14.384  -7.019 -13.304
   17   2HD1  LEU   3          2HD1      LEU   3 -12.859  -6.386 -13.922
   18   3HD1  LEU   3          3HD1      LEU   3 -12.881  -7.344 -12.443
   19   1HD2  LEU   3          1HD2      LEU   3 -13.925  -4.414 -14.108
   20   2HD2  LEU   3          2HD2      LEU   3 -15.261  -4.222 -12.973
   21   3HD2  LEU   3          3HD2      LEU   3 -13.779  -3.289 -12.755
   22    H    SER   4           H        SER   4 -13.792  -5.898  -7.996
   23    HA   SER   4           HA       SER   4 -16.424  -5.994  -6.696
   24   1HB   SER   4          2HB       SER   4 -14.378  -7.444  -5.282
   25   2HB   SER   4          1HB       SER   4 -15.829  -8.073  -6.058
   26    HG   SER   4           HG       SER   4 -14.613  -7.997  -8.066
   27    H    TRP   5           H        TRP   5 -15.713  -6.150  -4.050
   28    HA   TRP   5           HA       TRP   5 -15.011  -3.407  -3.637
   29   1HB   TRP   5          2HB       TRP   5 -16.618  -5.039  -2.226
   30   2HB   TRP   5          1HB       TRP   5 -15.143  -5.155  -1.261
   31    HD1  TRP   5           HD       TRP   5 -16.286  -2.000  -3.124
   32    HE1  TRP   5           1HE      TRP   5 -16.667  -0.119  -1.398
   33    HE3  TRP   5           3HE      TRP   5 -15.551  -4.682   1.165
   34    HZ2  TRP   5           2HZ      TRP   5 -16.640   0.176   1.413
   35    HZ3  TRP   5           3HZ      TRP   5 -15.729  -3.527   3.332
   36    HH2  TRP   5           HH       TRP   5 -16.263  -1.148   3.449
   37    H    LYS   6           H        LYS   6 -13.261  -2.558  -2.808
   38    HA   LYS   6           HA       LYS   6 -10.818  -4.041  -3.053
   39   1HB   LYS   6          2HB       LYS   6  -9.908  -1.725  -2.279
   40   2HB   LYS   6          1HB       LYS   6 -10.633  -1.873  -3.874
   41   1HG   LYS   6          2HG       LYS   6 -12.537  -1.186  -1.760
   42   2HG   LYS   6          1HG       LYS   6 -11.280   0.024  -2.031
   43   1HD   LYS   6          2HD       LYS   6 -11.861   0.210  -4.342
   44   2HD   LYS   6          1HD       LYS   6 -12.958  -1.168  -4.232
   45   1HE   LYS   6          2HE       LYS   6 -14.235   0.209  -2.501
   46   2HE   LYS   6          1HE       LYS   6 -13.281   1.583  -3.063
   47   1HZ   LYS   6          1HZ       LYS   6 -14.951  -0.109  -4.844
   48   2HZ   LYS   6          2HZ       LYS   6 -14.175   1.349  -5.240
   49   3HZ   LYS   6          3HZ       LYS   6 -15.477   1.349  -4.156
   50    H    ARG   7           H        ARG   7  -9.115  -3.671  -1.293
   51    HA   ARG   7           HA       ARG   7 -10.157  -3.438   1.395
   52   1HB   ARG   7          2HB       ARG   7  -9.379  -5.615   2.147
   53   2HB   ARG   7          1HB       ARG   7 -10.553  -5.820   0.854
   54   1HG   ARG   7          2HG       ARG   7  -9.060  -7.220  -0.027
   55   2HG   ARG   7          1HG       ARG   7  -8.197  -5.760  -0.518
   56   1HD   ARG   7          2HD       ARG   7  -6.820  -7.492   0.685
   57   2HD   ARG   7          1HD       ARG   7  -6.763  -5.865   1.358
   58    HE   ARG   7           HE       ARG   7  -8.714  -6.986   2.813
   59   1HH1  ARG   7          2HH1      ARG   7  -5.443  -7.953   2.046
   60   2HH1  ARG   7          1HH1      ARG   7  -5.278  -8.993   3.433
   61   1HH2  ARG   7          2HH2      ARG   7  -8.525  -8.397   4.624
   62   2HH2  ARG   7          1HH2      ARG   7  -7.033  -9.249   4.894
   63    H    CYS   8           H        CYS   8  -8.414  -3.485   2.997
   64    HA   CYS   8           HA       CYS   8  -6.060  -2.152   2.020
   65   1HB   CYS   8          2HB       CYS   8  -7.196  -1.369   4.043
   66   2HB   CYS   8          1HB       CYS   8  -6.920  -2.926   4.810
   67    H    ALA   9           H        ALA   9  -4.161  -3.069   1.685
   68    HA   ALA   9           HA       ALA   9  -3.807  -5.900   2.351
   69   1HB   ALA   9          1HB       ALA   9  -2.644  -6.022   0.454
   70   2HB   ALA   9          2HB       ALA   9  -3.075  -4.340   0.143
   71   3HB   ALA   9          3HB       ALA   9  -1.567  -4.725   0.974
   72    H    GLY  10           H        GLY  10  -3.352  -3.045   3.840
   73   1HA   GLY  10          1HA       GLY  10  -0.656  -3.395   4.797
   74   2HA   GLY  10          2HA       GLY  10  -1.797  -2.164   5.311
   75    H    CYS  11           H        CYS  11  -3.794  -3.295   6.501
   76    HA   CYS  11           HA       CYS  11  -2.565  -4.613   8.771
   77   1HB   CYS  11          2HB       CYS  11  -4.920  -4.396   9.733
   78   2HB   CYS  11          1HB       CYS  11  -4.062  -2.896   9.405
   79    H    GLY  12           H        GLY  12  -5.769  -5.239   7.457
   80   1HA   GLY  12          1HA       GLY  12  -5.478  -7.531   6.084
   81   2HA   GLY  12          2HA       GLY  12  -5.346  -8.096   7.742
   82    H    GLY  13           H        GLY  13  -7.462  -5.656   6.205
   83   1HA   GLY  13          1HA       GLY  13  -9.725  -7.383   6.461
   84   2HA   GLY  13          2HA       GLY  13  -9.740  -6.040   7.598
   85    H    LYS  14           H        LYS  14 -11.454  -5.047   6.721
   86    HA   LYS  14           HA       LYS  14 -11.260  -4.101   3.949
   87   1HB   LYS  14          2HB       LYS  14 -13.524  -4.544   5.836
   88   2HB   LYS  14          1HB       LYS  14 -13.688  -3.277   4.627
   89   1HG   LYS  14          2HG       LYS  14 -14.503  -4.932   3.360
   90   2HG   LYS  14          1HG       LYS  14 -12.801  -5.313   3.091
   91   1HD   LYS  14          2HD       LYS  14 -12.955  -6.837   5.104
   92   2HD   LYS  14          1HD       LYS  14 -14.703  -6.593   5.046
   93   1HE   LYS  14          2HE       LYS  14 -13.983  -7.226   2.432
   94   2HE   LYS  14          1HE       LYS  14 -13.022  -8.311   3.437
   95   1HZ   LYS  14          1HZ       LYS  14 -15.046  -9.021   4.546
   96   2HZ   LYS  14          2HZ       LYS  14 -15.159  -9.287   2.875
   97   3HZ   LYS  14          3HZ       LYS  14 -15.973  -7.975   3.581
   98    H    ILE  15           H        ILE  15 -11.534  -1.883   3.479
   99    HA   ILE  15           HA       ILE  15 -10.466  -0.169   5.566
  100    HB   ILE  15           HB       ILE  15 -11.213   0.802   2.829
  101   1HG1  ILE  15          2HG1      ILE  15  -8.918  -0.988   3.595
  102   1HG2  ILE  15          1HG2      ILE  15  -9.560   2.431   3.197
  103   2HG2  ILE  15          2HG2      ILE  15 -10.411   2.288   4.736
  104   3HG2  ILE  15          3HG2      ILE  15  -8.836   1.522   4.524
  105   1HD1  ILE  15          1HD1      ILE  15  -8.512  -0.038   0.969
  106   2HD1  ILE  15          2HD1      ILE  15  -8.589   1.358   2.043
  107   3HD1  ILE  15          3HD1      ILE  15  -7.431   0.066   2.358
  108    H    ALA  16           H        ALA  16 -12.146   0.022   6.984
  109    HA   ALA  16           HA       ALA  16 -14.671   1.142   6.011
  110   1HB   ALA  16          1HB       ALA  16 -13.954   0.010   8.714
  111   2HB   ALA  16          2HB       ALA  16 -15.559   0.530   8.200
  112   3HB   ALA  16          3HB       ALA  16 -14.789  -0.853   7.422
  113    H    ASP  17           H        ASP  17 -11.909   2.438   6.643
  114    HA   ASP  17           HA       ASP  17 -12.818   4.472   8.542
  115   1HB   ASP  17          2HB       ASP  17 -10.199   3.377   7.762
  116   2HB   ASP  17          1HB       ASP  17 -10.230   5.127   7.963
  117    H    ARG  18           H        ARG  18 -12.387   6.732   8.045
  118    HA   ARG  18           HA       ARG  18 -13.096   7.298   5.284
  119   1HB   ARG  18          2HB       ARG  18 -13.809   9.409   6.016
  120   2HB   ARG  18          1HB       ARG  18 -14.197   8.344   7.358
  121   1HG   ARG  18          2HG       ARG  18 -11.618   9.238   7.884
  122   2HG   ARG  18          1HG       ARG  18 -12.480  10.653   7.276
  123   1HD   ARG  18          2HD       ARG  18 -13.025   8.987   9.696
  124   2HD   ARG  18          1HD       ARG  18 -12.899  10.739   9.550
  125    HE   ARG  18           HE       ARG  18 -15.090  10.739   8.529
  126   1HH1  ARG  18          2HH1      ARG  18 -14.134   7.731  10.058
  127   2HH1  ARG  18          1HH1      ARG  18 -15.770   7.218  10.346
  128   1HH2  ARG  18          2HH2      ARG  18 -17.241  10.064   8.917
  129   2HH2  ARG  18          1HH2      ARG  18 -17.531   8.546   9.723
  130    H    PHE  19           H        PHE  19 -10.278   7.022   7.010
  131    HA   PHE  19           HA       PHE  19  -8.853   8.790   5.137
  132   1HB   PHE  19          2HB       PHE  19  -8.392   8.198   8.029
  133   2HB   PHE  19          1HB       PHE  19  -6.983   8.450   7.007
  134    HD1  PHE  19           1HD      PHE  19 -10.269  10.146   6.749
  135    HD2  PHE  19           2HD      PHE  19  -6.168  10.484   7.822
  136    HE1  PHE  19           1HE      PHE  19 -10.546  12.571   7.013
  137    HE2  PHE  19           2HE      PHE  19  -6.434  12.917   8.084
  138    HZ   PHE  19           HZ       PHE  19  -8.629  13.963   7.682
  139    H    LEU  20           H        LEU  20  -7.904   7.647   3.595
  140    HA   LEU  20           HA       LEU  20  -6.573   5.145   4.276
  141   1HB   LEU  20          2HB       LEU  20  -7.885   3.784   3.047
  142   2HB   LEU  20          1HB       LEU  20  -9.096   5.013   3.357
  143    HG   LEU  20           HG       LEU  20  -7.424   5.331   0.919
  144   1HD1  LEU  20          1HD1      LEU  20  -9.788   3.489   0.882
  145   2HD1  LEU  20          2HD1      LEU  20  -8.553   3.737  -0.353
  146   3HD1  LEU  20          3HD1      LEU  20  -8.151   2.884   1.137
  147   1HD2  LEU  20          1HD2      LEU  20  -9.369   6.812   1.862
  148   2HD2  LEU  20          2HD2      LEU  20  -9.211   6.519   0.128
  149   3HD2  LEU  20          3HD2      LEU  20 -10.383   5.602   1.076
  150    H    LEU  21           H        LEU  21  -5.484   4.264   2.201
  151    HA   LEU  21           HA       LEU  21  -4.519   6.461   0.509
  152   1HB   LEU  21          2HB       LEU  21  -3.034   5.554   2.588
  153   2HB   LEU  21          1HB       LEU  21  -2.505   4.467   1.317
  154    HG   LEU  21           HG       LEU  21  -2.558   7.354   0.651
  155   1HD1  LEU  21          1HD1      LEU  21  -1.423   6.618   3.054
  156   2HD1  LEU  21          2HD1      LEU  21  -0.065   6.606   1.928
  157   3HD1  LEU  21          3HD1      LEU  21  -1.043   8.063   2.116
  158   1HD2  LEU  21          1HD2      LEU  21  -0.725   6.787  -0.710
  159   2HD2  LEU  21          2HD2      LEU  21  -0.417   5.301   0.187
  160   3HD2  LEU  21          3HD2      LEU  21  -1.841   5.428  -0.845
  161    H    TYR  22           H        TYR  22  -3.946   5.870  -1.542
  162    HA   TYR  22           HA       TYR  22  -4.428   3.058  -2.300
  163   1HB   TYR  22          2HB       TYR  22  -4.660   5.389  -4.194
  164   2HB   TYR  22          1HB       TYR  22  -5.254   3.754  -4.413
  165    HD1  TYR  22           1HD      TYR  22  -5.903   7.002  -2.801
  166    HD2  TYR  22           2HD      TYR  22  -7.381   3.081  -3.516
  167    HE1  TYR  22           1HE      TYR  22  -8.141   7.729  -2.110
  168    HE2  TYR  22           2HE      TYR  22  -9.628   3.801  -2.820
  169    HH   TYR  22           HH       TYR  22 -10.740   5.468  -1.619
  170    H    ALA  23           H        ALA  23  -2.599   2.050  -2.940
  171    HA   ALA  23           HA       ALA  23  -0.580   3.539  -4.420
  172   1HB   ALA  23          1HB       ALA  23  -0.284   3.621  -1.778
  173   2HB   ALA  23          2HB       ALA  23   0.501   2.070  -2.087
  174   3HB   ALA  23          3HB       ALA  23   1.088   3.532  -2.884
  175    H    MET  24           H        MET  24   0.426   2.323  -5.867
  176    HA   MET  24           HA       MET  24   1.082   0.555  -7.125
  177   1HB   MET  24          2HB       MET  24   1.202  -0.627  -4.368
  178   2HB   MET  24          1HB       MET  24   1.522  -1.630  -5.775
  179   1HG   MET  24          2HG       MET  24   3.494  -0.612  -6.236
  180   2HG   MET  24          1HG       MET  24   2.976   0.940  -5.582
  181   1HE   MET  24          1HE       MET  24   2.279  -0.340  -2.122
  182   2HE   MET  24          2HE       MET  24   3.483   0.946  -2.019
  183   3HE   MET  24          3HE       MET  24   2.181   1.049  -3.204
  184    H    ASP  25           H        ASP  25  -1.669   1.120  -6.942
  185    HA   ASP  25           HA       ASP  25  -3.672   0.327  -7.627
  186   1HB   ASP  25          2HB       ASP  25  -1.812  -1.682  -8.640
  187   2HB   ASP  25          1HB       ASP  25  -3.429  -2.317  -8.355
  188    H    SER  26           H        SER  26  -2.241  -0.576  -4.927
  189    HA   SER  26           HA       SER  26  -4.465  -2.312  -4.098
  190   1HB   SER  26          2HB       SER  26  -2.239  -2.134  -2.214
  191   2HB   SER  26          1HB       SER  26  -3.024  -3.563  -2.889
  192    HG   SER  26           HG       SER  26  -1.670  -2.512  -4.859
  193    H    TYR  27           H        TYR  27  -5.447  -1.849  -2.076
  194    HA   TYR  27           HA       TYR  27  -5.251   1.008  -1.438
  195   1HB   TYR  27          2HB       TYR  27  -7.537  -0.944  -1.127
  196   2HB   TYR  27          1HB       TYR  27  -7.558   0.686  -0.462
  197    HD1  TYR  27           1HD      TYR  27  -9.721   0.681  -1.930
  198    HD2  TYR  27           2HD      TYR  27  -5.785   0.638  -3.542
  199    HE1  TYR  27           1HE      TYR  27 -10.593   1.519  -4.070
  200    HE2  TYR  27           2HE      TYR  27  -6.644   1.471  -5.683
  201    HH   TYR  27           HH       TYR  27  -9.460   2.938  -6.100
  202    H    TRP  28           H        TRP  28  -5.206   1.690   0.686
  203    HA   TRP  28           HA       TRP  28  -4.475  -0.274   2.744
  204   1HB   TRP  28          2HB       TRP  28  -2.794   2.173   2.150
  205   2HB   TRP  28          1HB       TRP  28  -2.398   0.842   3.222
  206    HD1  TRP  28           HD       TRP  28  -2.656   1.632  -0.552
  207    HE1  TRP  28           1HE      TRP  28  -1.072   0.037  -1.813
  208    HE3  TRP  28           3HE      TRP  28  -1.151  -1.278   3.366
  209    HZ2  TRP  28           2HZ      TRP  28   0.596  -2.149  -1.221
  210    HZ3  TRP  28           3HZ      TRP  28   0.451  -3.097   2.933
  211    HH2  TRP  28           HH       TRP  28   1.304  -3.518   0.692
  212    H    HIS  29           H        HIS  29  -3.947   1.031   4.827
  213    HA   HIS  29           HA       HIS  29  -5.903   3.213   5.164
  214   1HB   HIS  29          2HB       HIS  29  -4.547   1.382   7.138
  215   2HB   HIS  29          1HB       HIS  29  -5.233   2.916   7.653
  216    HD2  HIS  29           2HD      HIS  29  -8.099   3.081   7.227
  217    HE1  HIS  29           1HE      HIS  29  -8.468  -1.136   7.345
  218    HE2  HIS  29           2HE      HIS  29  -9.657   1.066   7.767
  219    H    SER  30           H        SER  30  -4.987   4.974   6.730
  220    HA   SER  30           HA       SER  30  -2.704   6.130   5.553
  221   1HB   SER  30          2HB       SER  30  -3.452   6.939   8.315
  222   2HB   SER  30          1HB       SER  30  -3.132   7.931   6.892
  223    HG   SER  30           HG       SER  30  -5.174   7.879   6.383
  224    H    ARG  31           H        ARG  31  -3.167   4.363   8.596
  225    HA   ARG  31           HA       ARG  31  -0.309   4.484   9.153
  226   1HB   ARG  31          2HB       ARG  31  -2.288   4.682  10.855
  227   2HB   ARG  31          1HB       ARG  31  -2.274   2.925  10.796
  228   1HG   ARG  31          2HG       ARG  31  -0.861   3.228  12.540
  229   2HG   ARG  31          1HG       ARG  31   0.314   3.307  11.228
  230   1HD   ARG  31          2HD       ARG  31  -0.058   5.821  11.243
  231   2HD   ARG  31          1HD       ARG  31  -0.909   5.582  12.770
  232    HE   ARG  31           HE       ARG  31   1.414   4.325  13.231
  233   1HH1  ARG  31          2HH1      ARG  31   0.696   7.544  12.014
  234   2HH1  ARG  31          1HH1      ARG  31   2.229   8.205  12.518
  235   1HH2  ARG  31          2HH2      ARG  31   3.404   5.201  13.901
  236   2HH2  ARG  31          1HH2      ARG  31   3.740   6.890  13.642
  237    H    CYS  32           H        CYS  32  -1.873   2.749   7.017
  238    HA   CYS  32           HA       CYS  32  -0.567   0.209   7.710
  239   1HB   CYS  32          2HB       CYS  32  -2.894   0.799   5.886
  240   2HB   CYS  32          1HB       CYS  32  -2.080  -0.763   5.937
  241    H    LEU  33           H        LEU  33  -0.826   2.708   5.265
  242    HA   LEU  33           HA       LEU  33   1.019   1.363   3.477
  243   1HB   LEU  33          2HB       LEU  33  -0.846   3.061   2.858
  244   2HB   LEU  33          1HB       LEU  33   0.317   4.278   3.336
  245    HG   LEU  33           HG       LEU  33   0.072   3.532   0.819
  246   1HD1  LEU  33          1HD1      LEU  33   2.165   4.650   2.407
  247   2HD1  LEU  33          2HD1      LEU  33   2.854   3.710   1.083
  248   3HD1  LEU  33          3HD1      LEU  33   1.710   5.006   0.741
  249   1HD2  LEU  33          1HD2      LEU  33   1.774   1.861   0.203
  250   2HD2  LEU  33          2HD2      LEU  33   2.008   1.496   1.916
  251   3HD2  LEU  33          3HD2      LEU  33   0.452   1.169   1.148
  252    H    LYS  34           H        LYS  34   2.690   1.003   4.941
  253    HA   LYS  34           HA       LYS  34   4.444   3.297   5.407
  254   1HB   LYS  34          2HB       LYS  34   4.756   2.270   7.797
  255   2HB   LYS  34          1HB       LYS  34   3.423   3.370   7.481
  256   1HG   LYS  34          2HG       LYS  34   2.293   1.738   8.585
  257   2HG   LYS  34          1HG       LYS  34   2.162   1.101   6.946
  258   1HD   LYS  34          2HD       LYS  34   4.620   0.214   8.116
  259   2HD   LYS  34          1HD       LYS  34   3.283  -0.148   9.210
  260   1HE   LYS  34          2HE       LYS  34   2.253  -0.882   6.783
  261   2HE   LYS  34          1HE       LYS  34   3.954  -1.311   6.604
  262   1HZ   LYS  34          1HZ       LYS  34   3.707  -3.036   7.967
  263   2HZ   LYS  34          2HZ       LYS  34   2.031  -2.797   7.853
  264   3HZ   LYS  34          3HZ       LYS  34   2.894  -2.113   9.137
  265    H    CYS  35           H        CYS  35   6.455   2.420   6.650
  266    HA   CYS  35           HA       CYS  35   7.826   0.586   5.029
  267   1HB   CYS  35          2HB       CYS  35   8.716   2.385   6.640
  268   2HB   CYS  35          1HB       CYS  35   8.488   1.188   7.905
  269    H    SER  36           H        SER  36   7.951  -1.584   5.077
  270    HA   SER  36           HA       SER  36   6.366  -3.043   7.037
  271   1HB   SER  36          2HB       SER  36   8.053  -4.432   4.999
  272   2HB   SER  36          1HB       SER  36   6.439  -4.838   5.584
  273    HG   SER  36           HG       SER  36   6.472  -2.435   4.322
  274    H    SER  37           H        SER  37   9.205  -1.644   7.227
  275    HA   SER  37           HA       SER  37  10.534  -3.885   8.578
  276   1HB   SER  37          2HB       SER  37  12.230  -1.591   8.016
  277   2HB   SER  37          1HB       SER  37  12.438  -3.282   7.555
  278    HG   SER  37           HG       SER  37  11.119  -1.198   6.182
  279    H    CYS  38           H        CYS  38  10.482  -0.296   8.799
  280    HA   CYS  38           HA       CYS  38  10.777  -0.615  11.699
  281   1HB   CYS  38          2HB       CYS  38  11.796   1.520  11.783
  282   2HB   CYS  38          1HB       CYS  38  12.517   0.687  10.412
  283    H    GLN  39           H        GLN  39   8.420  -0.112   9.520
  284    HA   GLN  39           HA       GLN  39   6.247   0.488   9.667
  285   1HB   GLN  39          2HB       GLN  39   7.048   0.291  12.474
  286   2HB   GLN  39          1HB       GLN  39   5.697   1.385  12.202
  287   1HG   GLN  39          2HG       GLN  39   4.683  -0.653  12.606
  288   2HG   GLN  39          1HG       GLN  39   4.667  -0.523  10.851
  289   1HE2  GLN  39          1HE2      GLN  39   6.164  -1.783   9.646
  290   2HE2  GLN  39          2HE2      GLN  39   6.815  -3.243  10.313
  291    H    ALA  40           H        ALA  40   8.493   2.484   9.279
  292    HA   ALA  40           HA       ALA  40   7.662   5.005  10.184
  293   1HB   ALA  40          1HB       ALA  40   9.871   4.697   9.248
  294   2HB   ALA  40          2HB       ALA  40   9.175   4.270   7.683
  295   3HB   ALA  40          3HB       ALA  40   8.983   5.905   8.317
  296    H    GLN  41           H        GLN  41   5.888   5.956   9.785
  297    HA   GLN  41           HA       GLN  41   3.923   5.085   7.984
  298   1HB   GLN  41          2HB       GLN  41   3.977   6.737  10.162
  299   2HB   GLN  41          1HB       GLN  41   3.732   7.892   8.860
  300   1HG   GLN  41          2HG       GLN  41   2.020   5.479   8.865
  301   2HG   GLN  41          1HG       GLN  41   1.728   6.684  10.119
  302   1HE2  GLN  41          1HE2      GLN  41   0.241   8.124   9.600
  303   2HE2  GLN  41          2HE2      GLN  41  -0.106   8.687   8.002
  304    H    LEU  42           H        LEU  42   4.362   5.086   5.870
  305    HA   LEU  42           HA       LEU  42   6.012   7.001   4.604
  306   1HB   LEU  42          2HB       LEU  42   4.424   4.640   3.741
  307   2HB   LEU  42          1HB       LEU  42   4.983   5.754   2.509
  308    HG   LEU  42           HG       LEU  42   6.604   4.016   4.342
  309   1HD1  LEU  42          1HD1      LEU  42   6.132   4.282   1.422
  310   2HD1  LEU  42          2HD1      LEU  42   7.710   3.721   1.971
  311   3HD1  LEU  42          3HD1      LEU  42   6.254   2.836   2.423
  312   1HD2  LEU  42          1HD2      LEU  42   8.551   5.196   3.987
  313   2HD2  LEU  42          2HD2      LEU  42   7.913   6.032   2.571
  314   3HD2  LEU  42          3HD2      LEU  42   7.386   6.505   4.187
  315    H    GLY  43           H        GLY  43   2.873   7.328   5.527
  316   1HA   GLY  43          1HA       GLY  43   2.288   9.173   3.294
  317   2HA   GLY  43          2HA       GLY  43   1.058   8.387   4.275
  318    H    ASP  44           H        ASP  44   3.619   9.246   6.207
  319    HA   ASP  44           HA       ASP  44   2.187  11.655   7.108
  320   1HB   ASP  44          2HB       ASP  44   2.528   9.565   8.616
  321   2HB   ASP  44          1HB       ASP  44   4.180  10.152   8.778
  322    H    ILE  45           H        ILE  45   5.492  10.336   6.940
  323    HA   ILE  45           HA       ILE  45   6.634  13.005   7.071
  324    HB   ILE  45           HB       ILE  45   8.723  11.285   6.469
  325   1HG1  ILE  45          2HG1      ILE  45   6.951   9.890   8.481
  326   1HG2  ILE  45          1HG2      ILE  45   9.184  11.464   8.947
  327   2HG2  ILE  45          2HG2      ILE  45   8.936  12.987   8.091
  328   3HG2  ILE  45          3HG2      ILE  45   7.641  12.310   9.079
  329   1HD1  ILE  45          1HD1      ILE  45   9.449   8.979   7.078
  330   2HD1  ILE  45          2HD1      ILE  45   9.304   9.409   8.781
  331   3HD1  ILE  45          3HD1      ILE  45   8.454   7.999   8.152
  332    H    GLY  46           H        GLY  46   5.123  13.024   4.951
  333   1HA   GLY  46          1HA       GLY  46   5.482  13.845   2.743
  334   2HA   GLY  46          2HA       GLY  46   7.007  12.967   2.701
  335    H    THR  47           H        THR  47   3.841  12.947   1.642
  336    HA   THR  47           HA       THR  47   3.331  10.154   1.828
  337    HB   THR  47           HB       THR  47   1.817  11.452  -0.269
  338    HG1  THR  47           1HG      THR  47   1.272  13.292   0.674
  339   1HG2  THR  47          1HG2      THR  47   0.739   9.683   0.759
  340   2HG2  THR  47          2HG2      THR  47   0.005  11.060   1.578
  341   3HG2  THR  47          3HG2      THR  47   1.290  10.148   2.367
  342    H    SER  48           H        SER  48   4.637   8.799   0.817
  343    HA   SER  48           HA       SER  48   4.671   8.738  -2.066
  344   1HB   SER  48          2HB       SER  48   7.394   8.442  -1.552
  345   2HB   SER  48          1HB       SER  48   6.630   9.837  -2.308
  346    HG   SER  48           HG       SER  48   6.426   9.926   0.403
  347    H    SER  49           H        SER  49   4.644   6.636  -2.675
  348    HA   SER  49           HA       SER  49   5.109   4.634  -0.611
  349   1HB   SER  49          2HB       SER  49   4.261   3.210  -2.738
  350   2HB   SER  49          1HB       SER  49   3.164   3.995  -1.602
  351    HG   SER  49           HG       SER  49   2.555   4.642  -3.635
  352    H    TYR  50           H        TYR  50   6.869   3.416  -0.566
  353    HA   TYR  50           HA       TYR  50   8.736   3.650  -2.802
  354   1HB   TYR  50          2HB       TYR  50   9.086   2.714   0.042
  355   2HB   TYR  50          1HB       TYR  50  10.330   2.502  -1.188
  356    HD1  TYR  50           1HD      TYR  50  11.788   3.857   0.333
  357    HD2  TYR  50           2HD      TYR  50   8.313   5.461  -1.500
  358    HE1  TYR  50           1HE      TYR  50  12.600   6.122   0.800
  359    HE2  TYR  50           2HE      TYR  50   9.107   7.743  -1.036
  360    HH   TYR  50           HH       TYR  50  11.475   8.838  -0.649
  361    H    THR  51           H        THR  51   9.345   1.980  -3.996
  362    HA   THR  51           HA       THR  51   7.870  -0.517  -3.550
  363    HB   THR  51           HB       THR  51   8.143   1.008  -6.134
  364    HG1  THR  51           1HG      THR  51   6.222   1.030  -4.090
  365   1HG2  THR  51          1HG2      THR  51   7.705  -1.101  -6.903
  366   2HG2  THR  51          2HG2      THR  51   6.050  -0.608  -6.543
  367   3HG2  THR  51          3HG2      THR  51   6.943  -1.610  -5.397
  368    H    LYS  52           H        LYS  52   9.382  -1.995  -3.238
  369    HA   LYS  52           HA       LYS  52  10.927  -2.797  -5.500
  370   1HB   LYS  52          2HB       LYS  52  12.267  -1.392  -3.356
  371   2HB   LYS  52          1HB       LYS  52  12.852  -3.048  -3.471
  372   1HG   LYS  52          2HG       LYS  52  13.038  -2.546  -6.004
  373   2HG   LYS  52          1HG       LYS  52  12.980  -0.857  -5.493
  374   1HD   LYS  52          2HD       LYS  52  15.094  -0.914  -4.784
  375   2HD   LYS  52          1HD       LYS  52  14.830  -2.410  -3.887
  376   1HE   LYS  52          2HE       LYS  52  16.473  -2.920  -5.496
  377   2HE   LYS  52          1HE       LYS  52  14.973  -3.605  -6.119
  378   1HZ   LYS  52          1HZ       LYS  52  16.632  -2.019  -7.517
  379   2HZ   LYS  52          2HZ       LYS  52  15.489  -0.890  -6.967
  380   3HZ   LYS  52          3HZ       LYS  52  14.986  -2.238  -7.867
  381    H    SER  53           H        SER  53  10.762  -4.934  -5.615
  382    HA   SER  53           HA       SER  53  10.241  -7.094  -5.078
  383   1HB   SER  53          2HB       SER  53  10.922  -6.153  -2.286
  384   2HB   SER  53          1HB       SER  53  10.333  -7.783  -2.615
  385    HG   SER  53           HG       SER  53  12.285  -8.279  -3.166
  386    H    GLY  54           H        GLY  54   8.422  -4.669  -5.029
  387   1HA   GLY  54          1HA       GLY  54   6.173  -4.258  -4.720
  388   2HA   GLY  54          2HA       GLY  54   5.978  -5.958  -4.307
  389    H    MET  55           H        MET  55   8.371  -4.368  -2.537
  390    HA   MET  55           HA       MET  55   6.683  -4.451  -0.152
  391   1HB   MET  55          2HB       MET  55   8.921  -5.715  -0.423
  392   2HB   MET  55          1HB       MET  55   9.676  -4.145  -0.205
  393   1HG   MET  55          2HG       MET  55   8.363  -3.978   1.957
  394   2HG   MET  55          1HG       MET  55   8.009  -5.692   1.746
  395   1HE   MET  55          1HE       MET  55  10.778  -6.086   0.060
  396   2HE   MET  55          2HE       MET  55  12.031  -6.573   1.198
  397   3HE   MET  55          3HE       MET  55  10.489  -7.430   1.165
  398    H    ILE  56           H        ILE  56   6.668  -2.759   1.336
  399    HA   ILE  56           HA       ILE  56   7.397  -0.143   0.199
  400    HB   ILE  56           HB       ILE  56   5.689   0.096   2.496
  401   1HG1  ILE  56          2HG1      ILE  56   4.291  -1.326   0.254
  402   1HG2  ILE  56          1HG2      ILE  56   5.986   1.817   0.829
  403   2HG2  ILE  56          2HG2      ILE  56   5.297   0.769  -0.411
  404   3HG2  ILE  56          3HG2      ILE  56   4.289   1.344   0.914
  405   1HD1  ILE  56          1HD1      ILE  56   2.543  -0.851   1.522
  406   2HD1  ILE  56          2HD1      ILE  56   3.177  -2.014   2.689
  407   3HD1  ILE  56          3HD1      ILE  56   3.569  -0.301   2.850
  408    H    LEU  57           H        LEU  57   8.930   1.011   1.162
  409    HA   LEU  57           HA       LEU  57   9.539   0.544   3.995
  410   1HB   LEU  57          2HB       LEU  57  11.819   0.886   2.107
  411   2HB   LEU  57          1HB       LEU  57  11.788   0.122   3.681
  412    HG   LEU  57           HG       LEU  57  10.174  -1.495   2.075
  413   1HD1  LEU  57          1HD1      LEU  57  11.549  -2.002   0.152
  414   2HD1  LEU  57          2HD1      LEU  57  11.091  -0.299   0.116
  415   3HD1  LEU  57          3HD1      LEU  57  12.714  -0.764   0.624
  416   1HD2  LEU  57          1HD2      LEU  57  12.599  -1.619   3.611
  417   2HD2  LEU  57          2HD2      LEU  57  11.391  -2.870   3.316
  418   3HD2  LEU  57          3HD2      LEU  57  12.714  -2.635   2.175
  419    H    CYS  58           H        CYS  58  11.244   2.204   4.718
  420    HA   CYS  58           HA       CYS  58  10.468   4.846   3.770
  421   1HB   CYS  58          2HB       CYS  58  11.862   5.672   5.640
  422   2HB   CYS  58          1HB       CYS  58  10.644   4.525   6.192
  423    H    ARG  59           H        ARG  59  12.504   6.415   3.647
  424    HA   ARG  59           HA       ARG  59  14.043   5.514   1.439
  425   1HB   ARG  59          2HB       ARG  59  13.508   7.978   2.652
  426   2HB   ARG  59          1HB       ARG  59  15.248   7.772   2.788
  427   1HG   ARG  59          2HG       ARG  59  13.559   7.948   0.326
  428   2HG   ARG  59          1HG       ARG  59  14.981   8.890   0.772
  429   1HD   ARG  59          2HD       ARG  59  15.247   5.942   0.363
  430   2HD   ARG  59          1HD       ARG  59  15.136   7.000  -1.044
  431    HE   ARG  59           HE       ARG  59  17.287   6.984   0.959
  432   1HH1  ARG  59          2HH1      ARG  59  15.970   8.098  -2.090
  433   2HH1  ARG  59          1HH1      ARG  59  17.474   8.791  -2.623
  434   1HH2  ARG  59          2HH2      ARG  59  19.256   7.893   0.269
  435   2HH2  ARG  59          1HH2      ARG  59  19.348   8.656  -1.290
  436    H    ASN  60           H        ASN  60  14.594   5.547   4.874
  437    HA   ASN  60           HA       ASN  60  17.417   5.029   4.683
  438   1HB   ASN  60          2HB       ASN  60  16.649   6.128   6.664
  439   2HB   ASN  60          1HB       ASN  60  15.449   4.877   6.968
  440   1HD2  ASN  60          1HD2      ASN  60  18.845   5.676   7.050
  441   2HD2  ASN  60          2HD2      ASN  60  19.309   4.384   8.107
  442    H    ASP  61           H        ASP  61  14.525   3.097   5.419
  443    HA   ASP  61           HA       ASP  61  15.943   0.643   5.706
  444   1HB   ASP  61          2HB       ASP  61  13.127   1.492   5.651
  445   2HB   ASP  61          1HB       ASP  61  13.399  -0.124   5.014
  446    H    TYR  62           H        TYR  62  14.671   2.388   3.003
  447    HA   TYR  62           HA       TYR  62  14.525   0.416   1.043
  448   1HB   TYR  62          2HB       TYR  62  13.976   2.967   0.964
  449   2HB   TYR  62          1HB       TYR  62  15.652   3.139   0.463
  450    HD1  TYR  62           1HD      TYR  62  12.310   2.281  -0.569
  451    HD2  TYR  62           2HD      TYR  62  16.416   2.001  -1.634
  452    HE1  TYR  62           1HE      TYR  62  11.669   1.794  -2.902
  453    HE2  TYR  62           2HE      TYR  62  15.789   1.513  -3.957
  454    HH   TYR  62           HH       TYR  62  14.132   1.072  -5.370
  455    H    ILE  63           H        ILE  63  17.307   2.463   1.931
  456    HA   ILE  63           HA       ILE  63  19.073   1.006   0.193
  457    HB   ILE  63           HB       ILE  63  20.265   2.712   2.291
  458   1HG1  ILE  63          2HG1      ILE  63  18.070   3.834   1.639
  459   1HG2  ILE  63          1HG2      ILE  63  21.118   3.593  -0.151
  460   2HG2  ILE  63          2HG2      ILE  63  21.896   2.336   0.812
  461   3HG2  ILE  63          3HG2      ILE  63  20.766   1.893  -0.467
  462   1HD1  ILE  63          1HD1      ILE  63  17.640   4.647  -0.415
  463   2HD1  ILE  63          2HD1      ILE  63  19.345   4.817  -0.831
  464   3HD1  ILE  63          3HD1      ILE  63  18.573   3.232  -0.901
  465    H    ARG  64           H        ARG  64  17.881   0.442   3.292
  466    HA   ARG  64           HA       ARG  64  20.241  -0.955   4.246
  467   1HB   ARG  64          2HB       ARG  64  18.345   0.248   5.649
  468   2HB   ARG  64          1HB       ARG  64  17.558  -1.319   5.510
  469   1HG   ARG  64          2HG       ARG  64  20.320  -1.602   6.290
  470   2HG   ARG  64          1HG       ARG  64  19.440  -0.548   7.398
  471   1HD   ARG  64          2HD       ARG  64  18.724  -2.418   8.378
  472   2HD   ARG  64          1HD       ARG  64  17.680  -2.621   6.972
  473    HE   ARG  64           HE       ARG  64  20.387  -3.735   6.859
  474   1HH1  ARG  64          2HH1      ARG  64  16.937  -4.266   7.175
  475   2HH1  ARG  64          1HH1      ARG  64  17.041  -5.964   6.803
  476   1HH2  ARG  64          2HH2      ARG  64  20.531  -5.949   6.385
  477   2HH2  ARG  64          1HH2      ARG  64  19.087  -6.926   6.356
  478    H    LEU  65           H        LEU  65  17.068  -1.701   2.914
  479    HA   LEU  65           HA       LEU  65  17.490  -4.543   3.129
  480   1HB   LEU  65          2HB       LEU  65  15.283  -2.778   2.668
  481   2HB   LEU  65          1HB       LEU  65  15.325  -3.978   1.392
  482    HG   LEU  65           HG       LEU  65  13.978  -5.037   2.909
  483   1HD1  LEU  65          1HD1      LEU  65  15.145  -6.833   3.880
  484   2HD1  LEU  65          2HD1      LEU  65  16.109  -6.349   2.485
  485   3HD1  LEU  65          3HD1      LEU  65  16.604  -5.867   4.109
  486   1HD2  LEU  65          1HD2      LEU  65  15.498  -4.417   5.364
  487   2HD2  LEU  65          2HD2      LEU  65  14.647  -3.075   4.597
  488   3HD2  LEU  65          3HD2      LEU  65  13.756  -4.513   5.096
  489    H    PHE  66           H        PHE  66  17.439  -2.149   0.516
  490    HA   PHE  66           HA       PHE  66  18.331  -4.272  -1.323
  491   1HB   PHE  66          2HB       PHE  66  16.802  -1.748  -1.974
  492   2HB   PHE  66          1HB       PHE  66  17.255  -3.008  -3.115
  493    HD1  PHE  66           1HD      PHE  66  16.242  -5.269  -2.902
  494    HD2  PHE  66           2HD      PHE  66  14.869  -1.936  -0.645
  495    HE1  PHE  66           1HE      PHE  66  14.140  -6.456  -2.435
  496    HE2  PHE  66           2HE      PHE  66  12.767  -3.119  -0.172
  497    HZ   PHE  66           HZ       PHE  66  12.401  -5.383  -1.065
  498    H    GLY  67           H        GLY  67  19.680  -1.927   0.369
  499   1HA   GLY  67          1HA       GLY  67  21.016  -0.358  -1.598
  500   2HA   GLY  67          2HA       GLY  67  21.458  -0.487   0.099
  501    H    ASN  68           H        ASN  68  21.973  -1.676  -3.100
  502    HA   ASN  68           HA       ASN  68  23.932  -3.640  -2.213
  503   1HB   ASN  68          2HB       ASN  68  22.220  -4.003  -4.115
  504   2HB   ASN  68          1HB       ASN  68  23.288  -2.986  -5.080
  505   1HD2  ASN  68          1HD2      ASN  68  22.636  -6.085  -4.003
  506   2HD2  ASN  68          2HD2      ASN  68  24.109  -6.850  -4.506
  507    H    SER  69           H        SER  69  25.972  -3.065  -1.919
  508    HA   SER  69           HA       SER  69  26.926  -0.525  -2.852
  509   1HB   SER  69          2HB       SER  69  29.070  -2.006  -1.767
  510   2HB   SER  69          1HB       SER  69  28.124  -0.744  -0.978
  511    HG   SER  69           HG       SER  69  28.033  -3.489  -0.678
  512    H    GLY  70           H        GLY  70  26.363  -2.751  -4.820
  513   1HA   GLY  70          1HA       GLY  70  28.905  -3.469  -5.946
  514   2HA   GLY  70          2HA       GLY  70  27.330  -3.691  -6.695
  515    H    ALA  71           H        ALA  71  29.930  -1.416  -6.115
  516    HA   ALA  71           HA       ALA  71  29.247  -0.020  -8.582
  517   1HB   ALA  71          1HB       ALA  71  28.040   1.283  -6.989
  518   2HB   ALA  71          2HB       ALA  71  29.417   1.315  -5.887
  519   3HB   ALA  71          3HB       ALA  71  29.493   2.185  -7.418
  520    H    GLY  72           H        GLY  72  30.960   1.124  -9.495
  521   1HA   GLY  72          1HA       GLY  72  33.588   0.592  -8.246
  522   2HA   GLY  72          2HA       GLY  72  33.314   0.516  -9.982
  523    H    GLY  73           H        GLY  73  31.466   2.961  -8.723
  524   1HA   GLY  73          1HA       GLY  73  31.739   5.244  -8.488
  525   2HA   GLY  73          2HA       GLY  73  33.479   5.012  -8.569
  526    H    SER  74           H        SER  74  31.296   3.786 -11.005
  527    HA   SER  74           HA       SER  74  32.276   5.863 -12.850
  528   1HB   SER  74          2HB       SER  74  31.780   3.132 -13.920
  529   2HB   SER  74          1HB       SER  74  32.996   4.320 -14.386
  530    HG   SER  74           HG       SER  74  34.065   3.819 -12.369
  531    H    GLY  75           H        GLY  75  29.699   5.589 -11.396
  532   1HA   GLY  75          1HA       GLY  75  27.918   6.657 -13.057
  533   2HA   GLY  75          2HA       GLY  75  27.804   4.967 -13.524
  534    H    GLY  76           H        GLY  76  26.069   4.055 -12.672
  535   1HA   GLY  76          1HA       GLY  76  24.728   3.211 -10.979
  536   2HA   GLY  76          2HA       GLY  76  25.629   4.174  -9.816
  537    H    HIS  77           H        HIS  77  25.144   6.444  -9.676
  538    HA   HIS  77           HA       HIS  77  22.953   7.673 -10.956
  539   1HB   HIS  77          2HB       HIS  77  22.144   5.874  -8.970
  540   2HB   HIS  77          1HB       HIS  77  22.091   7.445  -8.183
  541    HD1  HIS  77           1HD      HIS  77  19.958   8.656  -8.448
  542    HD2  HIS  77           2HD      HIS  77  20.601   5.941 -11.533
  543    HE1  HIS  77           1HE      HIS  77  17.859   8.696  -9.837
  544    HE2  HIS  77           2HE      HIS  77  18.276   7.065 -11.718
  545    H    MET  78           H        MET  78  22.646   9.841 -10.195
  546    HA   MET  78           HA       MET  78  24.886  10.843  -8.604
  547   1HB   MET  78          2HB       MET  78  23.564  11.896 -10.775
  548   2HB   MET  78          1HB       MET  78  22.823  12.763  -9.436
  549   1HG   MET  78          2HG       MET  78  24.542  14.162  -9.647
  550   2HG   MET  78          1HG       MET  78  25.461  12.922  -8.797
  551   1HE   MET  78          1HE       MET  78  28.009  11.722 -10.997
  552   2HE   MET  78          2HE       MET  78  27.054  11.565  -9.522
  553   3HE   MET  78          3HE       MET  78  26.592  10.672 -10.972
  554    H    GLY  79           H        GLY  79  23.599   9.286  -7.044
  555   1HA   GLY  79          1HA       GLY  79  22.778   9.505  -4.814
  556   2HA   GLY  79          2HA       GLY  79  21.974  10.996  -5.292
  557    H    SER  80           H        SER  80  21.316   8.002  -4.326
  558    HA   SER  80           HA       SER  80  19.445   7.035  -6.207
  559   1HB   SER  80          2HB       SER  80  19.115   6.593  -3.252
  560   2HB   SER  80          1HB       SER  80  18.853   5.465  -4.584
  561    HG   SER  80           HG       SER  80  20.875   4.890  -4.474
  562    H    GLY  81           H        GLY  81  17.426   7.633  -6.648
  563   1HA   GLY  81          1HA       GLY  81  15.279   8.616  -5.924
  564   2HA   GLY  81          2HA       GLY  81  16.226   9.742  -4.955
  565    H    GLY  82           H        GLY  82  18.265  10.075  -7.021
  566   1HA   GLY  82          1HA       GLY  82  18.685  11.245  -8.961
  567   2HA   GLY  82          2HA       GLY  82  17.007  11.002  -9.417
  568    H    ASP  83           H        ASP  83  15.717  12.703  -9.425
  569    HA   ASP  83           HA       ASP  83  16.736  15.275  -8.601
  570   1HB   ASP  83          2HB       ASP  83  15.526  15.559 -10.536
  571   2HB   ASP  83          1HB       ASP  83  14.398  14.268 -10.149
  572    H    VAL  84           H        VAL  84  14.715  12.812  -7.329
  573    HA   VAL  84           HA       VAL  84  13.199  14.345  -5.484
  574    HB   VAL  84           HB       VAL  84  13.989  11.452  -5.165
  575   1HG1  VAL  84          1HG1      VAL  84  11.496  12.896  -4.288
  576   2HG1  VAL  84          2HG1      VAL  84  11.980  11.245  -3.888
  577   3HG1  VAL  84          3HG1      VAL  84  12.896  12.612  -3.251
  578   1HG2  VAL  84          1HG2      VAL  84  13.095  11.843  -7.421
  579   2HG2  VAL  84          2HG2      VAL  84  12.008  10.865  -6.437
  580   3HG2  VAL  84          3HG2      VAL  84  11.655  12.571  -6.712
  581    H    MET  85           H        MET  85  14.159  15.602  -4.053
  582    HA   MET  85           HA       MET  85  15.243  16.258  -2.176
  583   1HB   MET  85          2HB       MET  85  14.515  14.153  -1.179
  584   2HB   MET  85          1HB       MET  85  15.920  13.332  -1.848
  585   1HG   MET  85          2HG       MET  85  16.697  15.629  -0.286
  586   2HG   MET  85          1HG       MET  85  15.695  14.518   0.650
  587   1HE   MET  85          1HE       MET  85  18.109  15.303   1.574
  588   2HE   MET  85          2HE       MET  85  18.596  13.745   2.246
  589   3HE   MET  85          3HE       MET  85  19.632  14.563   1.078
  590    H    VAL  86           H        VAL  86  17.193  13.810  -3.858
  591    HA   VAL  86           HA       VAL  86  19.690  14.933  -3.138
  592    HB   VAL  86           HB       VAL  86  19.273  13.276  -5.611
  593   1HG1  VAL  86          1HG1      VAL  86  21.476  12.981  -5.543
  594   2HG1  VAL  86          2HG1      VAL  86  21.513  14.273  -4.343
  595   3HG1  VAL  86          3HG1      VAL  86  21.446  12.589  -3.822
  596   1HG2  VAL  86          1HG2      VAL  86  19.186  11.270  -4.349
  597   2HG2  VAL  86          2HG2      VAL  86  19.489  12.126  -2.838
  598   3HG2  VAL  86          3HG2      VAL  86  17.955  12.339  -3.679
  599    H    VAL  87           H        VAL  87  17.728  15.132  -6.070
  600    HA   VAL  87           HA       VAL  87  17.713  16.519  -7.855
  601    HB   VAL  87           HB       VAL  87  19.291  18.589  -6.353
  602   1HG1  VAL  87          1HG1      VAL  87  16.821  19.270  -7.794
  603   2HG1  VAL  87          2HG1      VAL  87  18.402  20.055  -7.814
  604   3HG1  VAL  87          3HG1      VAL  87  18.117  18.617  -8.797
  605   1HG2  VAL  87          1HG2      VAL  87  17.127  19.360  -5.352
  606   2HG2  VAL  87          2HG2      VAL  87  16.419  17.821  -5.843
  607   3HG2  VAL  87          3HG2      VAL  87  17.748  17.852  -4.681
  608    H    GLY  88           H        GLY  88  19.865  14.642  -7.518
  609   1HA   GLY  88          1HA       GLY  88  21.671  14.036  -8.825
  610   2HA   GLY  88          2HA       GLY  88  21.595  15.617  -9.591
  611    H    GLU  89           H        GLU  89  22.617  13.984  -6.609
  612    HA   GLU  89           HA       GLU  89  24.839  15.903  -6.428
  613   1HB   GLU  89          2HB       GLU  89  22.685  15.466  -4.536
  614   2HB   GLU  89          1HB       GLU  89  24.254  15.158  -3.802
  615   1HG   GLU  89          2HG       GLU  89  23.713  17.656  -5.364
  616   2HG   GLU  89          1HG       GLU  89  23.306  17.523  -3.652
  617    HA   PRO  90           HA       PRO  90  27.060  12.049  -6.308
  618   1HB   PRO  90          2HB       PRO  90  29.551  13.087  -6.148
  619   2HB   PRO  90          1HB       PRO  90  28.603  13.118  -7.639
  620   1HG   PRO  90          2HG       PRO  90  29.033  15.288  -5.623
  621   2HG   PRO  90          1HG       PRO  90  29.041  15.387  -7.393
  622   1HD   PRO  90          2HD       PRO  90  26.909  16.121  -5.878
  623   2HD   PRO  90          1HD       PRO  90  26.752  15.478  -7.524
  624    H    THR  91           H        THR  91  27.203  14.501  -3.847
  625    HA   THR  91           HA       THR  91  28.856  13.061  -2.018
  626    HB   THR  91           HB       THR  91  26.894  15.056  -0.998
  627    HG1  THR  91           1HG      THR  91  27.408  16.259  -2.722
  628   1HG2  THR  91          1HG2      THR  91  29.286  15.862  -0.120
  629   2HG2  THR  91          2HG2      THR  91  29.672  14.171  -0.444
  630   3HG2  THR  91          3HG2      THR  91  28.370  14.579   0.674
  631    H    LEU  92           H        LEU  92  25.585  12.875  -2.943
  632    HA   LEU  92           HA       LEU  92  24.754  11.414  -0.558
  633   1HB   LEU  92          2HB       LEU  92  23.396  12.992  -2.388
  634   2HB   LEU  92          1HB       LEU  92  22.960  11.362  -2.860
  635    HG   LEU  92           HG       LEU  92  22.739  11.774   0.015
  636   1HD1  LEU  92          1HD1      LEU  92  20.462  13.103  -1.053
  637   2HD1  LEU  92          2HD1      LEU  92  21.636  13.694   0.122
  638   3HD1  LEU  92          3HD1      LEU  92  21.912  13.941  -1.602
  639   1HD2  LEU  92          1HD2      LEU  92  20.439  10.888  -0.494
  640   2HD2  LEU  92          2HD2      LEU  92  20.921  10.826  -2.190
  641   3HD2  LEU  92          3HD2      LEU  92  21.776   9.851  -0.995
  642    H    MET  93           H        MET  93  24.178   9.202  -0.631
  643    HA   MET  93           HA       MET  93  25.787   7.576  -2.299
  644   1HB   MET  93          2HB       MET  93  24.702   7.077   0.039
  645   2HB   MET  93          1HB       MET  93  23.344   6.514  -0.925
  646   1HG   MET  93          2HG       MET  93  24.837   4.945  -2.083
  647   2HG   MET  93          1HG       MET  93  26.169   5.489  -1.066
  648   1HE   MET  93          1HE       MET  93  26.175   3.007   1.570
  649   2HE   MET  93          2HE       MET  93  26.998   3.895   0.285
  650   3HE   MET  93          3HE       MET  93  26.342   4.760   1.675
  651    H    GLY  94           H        GLY  94  25.403   6.696  -4.228
  652   1HA   GLY  94          1HA       GLY  94  22.770   6.297  -5.291
  653   2HA   GLY  94          2HA       GLY  94  23.543   7.727  -5.960
  654    H    GLY  95           H        GLY  95  26.228   6.606  -5.839
  655   1HA   GLY  95          1HA       GLY  95  26.319   5.312  -8.368
  656   2HA   GLY  95          2HA       GLY  95  27.652   5.441  -7.223
  657    H    GLU  96           H        GLU  96  26.394   4.188  -5.056
  658    HA   GLU  96           HA       GLU  96  26.301   1.406  -5.971
  659   1HB   GLU  96          2HB       GLU  96  26.221   1.165  -3.292
  660   2HB   GLU  96          1HB       GLU  96  27.724   1.248  -4.199
  661   1HG   GLU  96          2HG       GLU  96  26.646   3.855  -3.431
  662   2HG   GLU  96          1HG       GLU  96  27.075   2.817  -2.074
  663    H    PHE  97           H        PHE  97  24.332   0.845  -6.524
  664    HA   PHE  97           HA       PHE  97  22.112   0.354  -6.391
  665   1HB   PHE  97          2HB       PHE  97  22.431   0.096  -3.917
  666   2HB   PHE  97          1HB       PHE  97  22.041   1.802  -3.737
  667    HD1  PHE  97           1HD      PHE  97  20.042   1.820  -2.583
  668    HD2  PHE  97           2HD      PHE  97  20.485  -0.739  -5.952
  669    HE1  PHE  97           1HE      PHE  97  17.652   1.265  -2.471
  670    HE2  PHE  97           2HE      PHE  97  18.093  -1.296  -5.848
  671    HZ   PHE  97           HZ       PHE  97  16.674  -0.292  -4.106
  672    H    GLY  98           H        GLY  98  22.139   1.798  -8.193
  673   1HA   GLY  98          1HA       GLY  98  21.413   4.570  -7.726
  674   2HA   GLY  98          2HA       GLY  98  21.766   3.828  -9.277
  675    H    ASP  99           H        ASP  99  19.353   3.362  -6.701
  676    HA   ASP  99           HA       ASP  99  17.269   3.100  -8.755
  677   1HB   ASP  99          2HB       ASP  99  17.603   1.526  -6.660
  678   2HB   ASP  99          1HB       ASP  99  16.752   2.812  -5.812
  679    H    GLU 100           H        GLU 100  15.071   4.034  -7.603
  680    HA   GLU 100           HA       GLU 100  15.629   6.856  -7.000
  681   1HB   GLU 100          2HB       GLU 100  12.909   5.726  -7.655
  682   2HB   GLU 100          1HB       GLU 100  13.445   7.396  -7.745
  683   1HG   GLU 100          2HG       GLU 100  14.605   7.040  -9.738
  684   2HG   GLU 100          1HG       GLU 100  14.606   5.290  -9.527
  685    H    ASP 101           H        ASP 101  12.561   6.052  -6.125
  686    HA   ASP 101           HA       ASP 101  12.773   4.449  -3.925
  687   1HB   ASP 101          2HB       ASP 101  12.354   6.269  -2.092
  688   2HB   ASP 101          1HB       ASP 101  13.993   5.847  -2.553
  689    H    GLU 102           H        GLU 102  11.174   7.605  -4.249
  690    HA   GLU 102           HA       GLU 102   8.659   6.487  -3.484
  691   1HB   GLU 102          2HB       GLU 102   7.781   8.744  -3.848
  692   2HB   GLU 102          1HB       GLU 102   9.251   8.769  -2.889
  693   1HG   GLU 102          2HG       GLU 102  10.378   9.958  -4.412
  694   2HG   GLU 102          1HG       GLU 102   9.674   9.079  -5.769
  695    H    ARG 103           H        ARG 103   6.914   5.961  -4.662
  696    HA   ARG 103           HA       ARG 103   7.208   6.112  -7.583
  697   1HB   ARG 103          2HB       ARG 103   6.456   3.894  -5.796
  698   2HB   ARG 103          1HB       ARG 103   5.446   4.070  -7.226
  699   1HG   ARG 103          2HG       ARG 103   7.084   2.626  -7.956
  700   2HG   ARG 103          1HG       ARG 103   7.699   4.189  -8.499
  701   1HD   ARG 103          2HD       ARG 103   8.772   4.053  -6.017
  702   2HD   ARG 103          1HD       ARG 103   8.739   2.346  -6.455
  703    HE   ARG 103           HE       ARG 103   9.852   4.057  -8.496
  704   1HH1  ARG 103          2HH1      ARG 103  10.513   2.175  -5.635
  705   2HH1  ARG 103          1HH1      ARG 103  12.203   1.988  -5.963
  706   1HH2  ARG 103          2HH2      ARG 103  12.090   3.843  -8.956
  707   2HH2  ARG 103          1HH2      ARG 103  13.102   2.911  -7.882
  708    H    LEU 104           H        LEU 104   4.271   4.801  -6.563
  709    HA   LEU 104           HA       LEU 104   2.957   7.354  -7.173
  710   1HB   LEU 104          2HB       LEU 104   1.260   6.160  -8.339
  711   2HB   LEU 104          1HB       LEU 104   2.814   5.608  -8.923
  712    HG   LEU 104           HG       LEU 104   1.196   4.065  -6.890
  713   1HD1  LEU 104          1HD1      LEU 104   0.400   4.542  -9.478
  714   2HD1  LEU 104          2HD1      LEU 104   1.249   2.999  -9.593
  715   3HD1  LEU 104          3HD1      LEU 104  -0.096   3.182  -8.468
  716   1HD2  LEU 104          1HD2      LEU 104   3.750   3.659  -8.294
  717   2HD2  LEU 104          2HD2      LEU 104   3.180   3.010  -6.756
  718   3HD2  LEU 104          3HD2      LEU 104   2.669   2.264  -8.271
  719    H    ILE 105           H        ILE 105   2.184   8.219  -5.318
  720    HA   ILE 105           HA       ILE 105   0.494   6.443  -3.675
  721    HB   ILE 105           HB       ILE 105   2.312   8.615  -2.865
  722   1HG1  ILE 105          2HG1      ILE 105   1.079   6.150  -1.667
  723   1HG2  ILE 105          1HG2      ILE 105  -0.383   8.426  -1.503
  724   2HG2  ILE 105          2HG2      ILE 105   0.964   9.476  -1.059
  725   3HG2  ILE 105          3HG2      ILE 105   0.107   9.737  -2.577
  726   1HD1  ILE 105          1HD1      ILE 105   1.441   6.717   0.430
  727   2HD1  ILE 105          2HD1      ILE 105   3.093   7.202   0.049
  728   3HD1  ILE 105          3HD1      ILE 105   1.777   8.366  -0.096
  729    H    THR 106           H        THR 106  -1.599   6.819  -3.631
  730    HA   THR 106           HA       THR 106  -2.611   9.396  -4.627
  731    HB   THR 106           HB       THR 106  -3.563   6.605  -5.271
  732    HG1  THR 106           1HG      THR 106  -2.559   8.817  -6.682
  733   1HG2  THR 106          1HG2      THR 106  -5.213   8.715  -6.387
  734   2HG2  THR 106          2HG2      THR 106  -5.294   8.677  -4.625
  735   3HG2  THR 106          3HG2      THR 106  -5.687   7.232  -5.558
  736    H    ARG 107           H        ARG 107  -3.421  10.388  -2.884
  737    HA   ARG 107           HA       ARG 107  -4.726   8.716  -0.835
  738   1HB   ARG 107          2HB       ARG 107  -2.703   9.585   0.055
  739   2HB   ARG 107          1HB       ARG 107  -3.004  11.182  -0.610
  740   1HG   ARG 107          2HG       ARG 107  -5.057  10.268   1.263
  741   2HG   ARG 107          1HG       ARG 107  -3.450  10.442   1.971
  742   1HD   ARG 107          2HD       ARG 107  -3.769  12.704   0.387
  743   2HD   ARG 107          1HD       ARG 107  -5.343  12.472   1.142
  744    HE   ARG 107           HE       ARG 107  -4.224  12.562   3.301
  745   1HH1  ARG 107          2HH1      ARG 107  -2.420  13.719   0.513
  746   2HH1  ARG 107          1HH1      ARG 107  -1.376  14.731   1.468
  747   1HH2  ARG 107          2HH2      ARG 107  -2.820  13.881   4.532
  748   2HH2  ARG 107          1HH2      ARG 107  -1.604  14.833   3.728
  749    H    LEU 108           H        LEU 108  -6.665   9.286  -0.016
  750    HA   LEU 108           HA       LEU 108  -7.775  11.906  -0.599
  751   1HB   LEU 108          2HB       LEU 108  -8.979   9.314  -1.520
  752   2HB   LEU 108          1HB       LEU 108 -10.004  10.682  -1.134
  753    HG   LEU 108           HG       LEU 108  -7.882  11.495  -2.908
  754   1HD1  LEU 108          1HD1      LEU 108  -9.286  10.082  -4.773
  755   2HD1  LEU 108          2HD1      LEU 108  -7.690   9.658  -4.157
  756   3HD1  LEU 108          3HD1      LEU 108  -9.130   8.916  -3.459
  757   1HD2  LEU 108          1HD2      LEU 108 -10.867  11.367  -3.310
  758   2HD2  LEU 108          2HD2      LEU 108 -10.016  12.673  -2.488
  759   3HD2  LEU 108          3HD2      LEU 108  -9.718  12.366  -4.198
  760    H    GLU 109           H        GLU 109  -8.885  12.666   1.085
  761    HA   GLU 109           HA       GLU 109  -9.299  10.799   3.319
  762   1HB   GLU 109          2HB       GLU 109  -9.181  13.244   4.501
  763   2HB   GLU 109          1HB       GLU 109  -7.805  12.172   4.295
  764   1HG   GLU 109          2HG       GLU 109  -7.018  13.357   2.434
  765   2HG   GLU 109          1HG       GLU 109  -8.537  14.226   2.241
  766    H    ASN 110           H        ASN 110 -10.939  11.410   4.854
  767    HA   ASN 110           HA       ASN 110 -13.361  11.189   4.720
  768   1HB   ASN 110          2HB       ASN 110 -12.192  12.652   6.489
  769   2HB   ASN 110          1HB       ASN 110 -12.816  14.018   5.566
  770   1HD2  ASN 110          1HD2      ASN 110 -14.235  14.764   7.068
  771   2HD2  ASN 110          2HD2      ASN 110 -15.639  13.883   7.585
  772    H    THR 111           H        THR 111 -13.815  11.125   2.414
  773    HA   THR 111           HA       THR 111 -14.780  11.871   0.472
  774    HB   THR 111           HB       THR 111 -16.717  13.557   1.868
  775    HG1  THR 111           1HG      THR 111 -15.887  11.106   2.962
  776   1HG2  THR 111          1HG2      THR 111 -17.690  12.729   0.006
  777   2HG2  THR 111          2HG2      THR 111 -18.021  11.325   1.020
  778   3HG2  THR 111          3HG2      THR 111 -16.620  11.330  -0.051
  779    H    GLN 112           H        GLN 112 -12.591  13.427   0.743
  780    HA   GLN 112           HA       GLN 112 -13.033  16.178   0.985
  781   1HB   GLN 112          2HB       GLN 112 -10.831  14.470  -0.041
  782   2HB   GLN 112          1HB       GLN 112 -10.804  16.171  -0.486
  783   1HG   GLN 112          2HG       GLN 112 -11.273  15.553   2.361
  784   2HG   GLN 112          1HG       GLN 112  -9.664  15.217   1.725
  785   1HE2  GLN 112          1HE2      GLN 112  -8.910  16.858   3.161
  786   2HE2  GLN 112          2HE2      GLN 112  -9.055  18.530   2.725
  787    H    PHE 113           H        PHE 113 -13.812  14.130  -1.608
  788    HA   PHE 113           HA       PHE 113 -13.784  16.334  -3.535
  789   1HB   PHE 113          2HB       PHE 113 -14.186  14.620  -5.243
  790   2HB   PHE 113          1HB       PHE 113 -12.761  14.242  -4.285
  791    HD1  PHE 113           1HD      PHE 113 -16.012  13.147  -5.362
  792    HD2  PHE 113           2HD      PHE 113 -12.909  12.466  -2.532
  793    HE1  PHE 113           1HE      PHE 113 -16.932  10.912  -4.897
  794    HE2  PHE 113           2HE      PHE 113 -13.821  10.233  -2.065
  795    HZ   PHE 113           HZ       PHE 113 -15.836   9.453  -3.246
  796    H    ASP 114           H        ASP 114 -15.785  15.459  -1.246
  797    HA   ASP 114           HA       ASP 114 -18.136  16.400  -2.632
  798   1HB   ASP 114          2HB       ASP 114 -17.957  13.825  -2.937
  799   2HB   ASP 114          1HB       ASP 114 -18.387  13.745  -1.231
  800    H    ALA 115           H        ALA 115 -19.794  15.149  -0.421
  801    HA   ALA 115           HA       ALA 115 -19.311  17.191   1.580
  802   1HB   ALA 115          1HB       ALA 115 -21.558  16.980   1.470
  803   2HB   ALA 115          2HB       ALA 115 -21.481  15.302   0.933
  804   3HB   ALA 115          3HB       ALA 115 -21.282  15.691   2.641
  805    H    ALA 116           H        ALA 116 -17.815  16.877   3.082
  806    HA   ALA 116           HA       ALA 116 -16.555  14.430   3.620
  807   1HB   ALA 116          1HB       ALA 116 -16.621  17.015   5.160
  808   2HB   ALA 116          2HB       ALA 116 -15.587  15.651   5.589
  809   3HB   ALA 116          3HB       ALA 116 -15.384  16.458   4.034
  810    H    ASN 117           H        ASN 117 -17.703  12.752   4.373
  811    HA   ASN 117           HA       ASN 117 -19.159  13.147   6.902
  812   1HB   ASN 117          2HB       ASN 117 -20.878  12.871   5.267
  813   2HB   ASN 117          1HB       ASN 117 -20.020  11.544   4.490
  814   1HD2  ASN 117          1HD2      ASN 117 -20.537   9.544   5.045
  815   2HD2  ASN 117          2HD2      ASN 117 -21.473   9.094   6.439
  816    H    GLY 118           H        GLY 118 -18.072  10.481   4.780
  817   1HA   GLY 118          1HA       GLY 118 -16.002   9.490   6.199
  818   2HA   GLY 118          2HA       GLY 118 -17.390   8.879   7.087
  819    H    ILE 119           H        ILE 119 -18.240   7.016   6.459
  820    HA   ILE 119           HA       ILE 119 -18.431   6.156   3.770
  821    HB   ILE 119           HB       ILE 119 -15.917   5.870   4.377
  822   1HG1  ILE 119          2HG1      ILE 119 -16.006   3.516   3.210
  823   1HG2  ILE 119          1HG2      ILE 119 -16.492   4.732   6.562
  824   2HG2  ILE 119          2HG2      ILE 119 -16.900   3.312   5.599
  825   3HG2  ILE 119          3HG2      ILE 119 -15.259   3.956   5.568
  826   1HD1  ILE 119          1HD1      ILE 119 -16.891   4.682   1.069
  827   2HD1  ILE 119          2HD1      ILE 119 -16.823   6.137   2.063
  828   3HD1  ILE 119          3HD1      ILE 119 -15.361   5.189   1.784
  829    H    ASP 120           H        ASP 120 -19.287   3.907   3.641
  830    HA   ASP 120           HA       ASP 120 -20.743   2.276   4.256
  831   1HB   ASP 120          2HB       ASP 120 -18.847   2.073   6.101
  832   2HB   ASP 120          1HB       ASP 120 -20.139   2.621   7.161
  833    H    ASP 121           H        ASP 121 -21.618   4.945   4.041
  834    HA   ASP 121           HA       ASP 121 -23.657   5.197   6.133
  835   1HB   ASP 121          2HB       ASP 121 -23.838   7.509   5.531
  836   2HB   ASP 121          1HB       ASP 121 -22.122   7.132   5.639
  837    H    GLU 122           H        GLU 122 -25.708   6.410   5.153
  838    HA   GLU 122           HA       GLU 122 -26.708   4.646   3.037
  839   1HB   GLU 122          2HB       GLU 122 -28.046   6.292   5.170
  840   2HB   GLU 122          1HB       GLU 122 -28.949   5.682   3.790
  841   1HG   GLU 122          2HG       GLU 122 -29.310   3.884   5.044
  842   2HG   GLU 122          1HG       GLU 122 -27.646   3.445   4.659
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1 -21.916   7.145  -8.566
    2   2H    GLY   1          2H        GLY   1 -20.869   6.135  -9.437
    3   3H    GLY   1          3H        GLY   1 -20.237   7.294  -8.375
    4   1HA   GLY   1          2HA       GLY   1 -21.143   6.156  -6.483
    5   2HA   GLY   1          1HA       GLY   1 -21.902   4.986  -7.554
    6    H    SER   2           H        SER   2 -19.657   4.991  -5.402
    7    HA   SER   2           HA       SER   2 -17.284   4.235  -6.729
    8   1HB   SER   2          2HB       SER   2 -17.423   2.953  -4.183
    9   2HB   SER   2          1HB       SER   2 -16.519   4.401  -4.631
   10    HG   SER   2           HG       SER   2 -18.030   5.636  -3.788
   11    H    LEU   3           H        LEU   3 -19.677   2.214  -5.014
   12    HA   LEU   3           HA       LEU   3 -20.369   0.077  -5.277
   13   1HB   LEU   3          2HB       LEU   3 -20.128   1.055  -7.865
   14   2HB   LEU   3          1HB       LEU   3 -19.268  -0.472  -7.912
   15    HG   LEU   3           HG       LEU   3 -21.493  -1.288  -6.657
   16   1HD1  LEU   3          1HD1      LEU   3 -22.181   1.299  -7.277
   17   2HD1  LEU   3          2HD1      LEU   3 -22.896   0.367  -8.593
   18   3HD1  LEU   3          3HD1      LEU   3 -23.301  -0.015  -6.921
   19   1HD2  LEU   3          1HD2      LEU   3 -22.156  -2.254  -8.700
   20   2HD2  LEU   3          2HD2      LEU   3 -21.450  -0.939  -9.642
   21   3HD2  LEU   3          3HD2      LEU   3 -20.403  -2.082  -8.802
   22    H    SER   4           H        SER   4 -17.489  -0.127  -7.333
   23    HA   SER   4           HA       SER   4 -16.453  -2.351  -5.816
   24   1HB   SER   4          2HB       SER   4 -14.511  -1.210  -7.594
   25   2HB   SER   4          1HB       SER   4 -15.378  -2.738  -7.755
   26    HG   SER   4           HG       SER   4 -16.849  -1.814  -9.028
   27    H    TRP   5           H        TRP   5 -15.528  -2.005  -3.924
   28    HA   TRP   5           HA       TRP   5 -14.454   0.652  -3.387
   29   1HB   TRP   5          2HB       TRP   5 -16.207  -0.957  -2.002
   30   2HB   TRP   5          1HB       TRP   5 -14.700  -1.140  -1.105
   31    HD1  TRP   5           HD       TRP   5 -16.931   1.695  -2.454
   32    HE1  TRP   5           1HE      TRP   5 -16.773   3.692  -0.819
   33    HE3  TRP   5           3HE      TRP   5 -13.452  -0.200   0.742
   34    HZ2  TRP   5           2HZ      TRP   5 -15.344   4.347   1.527
   35    HZ3  TRP   5           3HZ      TRP   5 -12.733   1.169   2.659
   36    HH2  TRP   5           HH       TRP   5 -13.660   3.397   3.038
   37    H    LYS   6           H        LYS   6 -13.162  -2.124  -4.373
   38    HA   LYS   6           HA       LYS   6 -11.081  -3.038  -4.334
   39   1HB   LYS   6          2HB       LYS   6 -10.416  -0.331  -3.162
   40   2HB   LYS   6          1HB       LYS   6  -9.201  -1.520  -3.620
   41   1HG   LYS   6          2HG       LYS   6 -10.788  -1.289  -5.871
   42   2HG   LYS   6          1HG       LYS   6 -10.674   0.361  -5.255
   43   1HD   LYS   6          2HD       LYS   6  -8.097  -0.730  -5.049
   44   2HD   LYS   6          1HD       LYS   6  -8.704  -1.205  -6.637
   45   1HE   LYS   6          2HE       LYS   6  -8.778   1.615  -5.571
   46   2HE   LYS   6          1HE       LYS   6  -7.489   0.980  -6.593
   47   1HZ   LYS   6          1HZ       LYS   6  -8.848   1.920  -8.145
   48   2HZ   LYS   6          2HZ       LYS   6 -10.272   1.604  -7.285
   49   3HZ   LYS   6          3HZ       LYS   6  -9.492   0.349  -8.125
   50    H    ARG   7           H        ARG   7  -9.018  -2.568  -2.299
   51    HA   ARG   7           HA       ARG   7 -10.200  -3.268   0.243
   52   1HB   ARG   7          2HB       ARG   7  -9.272  -5.297  -1.644
   53   2HB   ARG   7          1HB       ARG   7  -8.467  -5.405  -0.085
   54   1HG   ARG   7          2HG       ARG   7 -11.410  -5.119  -0.065
   55   2HG   ARG   7          1HG       ARG   7 -10.746  -6.653  -0.627
   56   1HD   ARG   7          2HD       ARG   7 -10.877  -5.532   2.062
   57   2HD   ARG   7          1HD       ARG   7 -10.710  -7.206   1.541
   58    HE   ARG   7           HE       ARG   7  -8.564  -5.323   2.159
   59   1HH1  ARG   7          2HH1      ARG   7  -9.510  -8.464   0.906
   60   2HH1  ARG   7          1HH1      ARG   7  -7.936  -9.172   1.135
   61   1HH2  ARG   7          2HH2      ARG   7  -6.490  -6.262   2.454
   62   2HH2  ARG   7          1HH2      ARG   7  -6.228  -7.926   2.022
   63    H    CYS   8           H        CYS   8  -8.735  -3.065   1.959
   64    HA   CYS   8           HA       CYS   8  -6.296  -1.658   1.386
   65   1HB   CYS   8          2HB       CYS   8  -7.596  -1.110   3.402
   66   2HB   CYS   8          1HB       CYS   8  -7.344  -2.740   4.015
   67    H    ALA   9           H        ALA   9  -4.425  -2.558   0.944
   68    HA   ALA   9           HA       ALA   9  -4.068  -5.427   1.254
   69   1HB   ALA   9          1HB       ALA   9  -2.119  -3.418   0.141
   70   2HB   ALA   9          2HB       ALA   9  -2.095  -5.168  -0.071
   71   3HB   ALA   9          3HB       ALA   9  -3.374  -4.207  -0.814
   72    H    GLY  10           H        GLY  10  -3.696  -2.783   3.182
   73   1HA   GLY  10          1HA       GLY  10  -1.177  -3.462   4.417
   74   2HA   GLY  10          2HA       GLY  10  -2.332  -2.262   4.979
   75    H    CYS  11           H        CYS  11  -4.610  -3.776   5.312
   76    HA   CYS  11           HA       CYS  11  -3.757  -5.651   7.411
   77   1HB   CYS  11          2HB       CYS  11  -6.099  -5.299   8.344
   78   2HB   CYS  11          1HB       CYS  11  -4.997  -3.935   8.484
   79    H    GLY  12           H        GLY  12  -7.041  -5.547   6.426
   80   1HA   GLY  12          1HA       GLY  12  -6.943  -7.437   4.329
   81   2HA   GLY  12          2HA       GLY  12  -7.208  -8.275   5.849
   82    H    GLY  13           H        GLY  13  -8.464  -5.043   5.258
   83   1HA   GLY  13          1HA       GLY  13 -11.082  -6.169   4.656
   84   2HA   GLY  13          2HA       GLY  13 -10.924  -5.162   6.090
   85    H    LYS  14           H        LYS  14 -12.244  -3.600   5.368
   86    HA   LYS  14           HA       LYS  14 -11.389  -2.075   3.004
   87   1HB   LYS  14          2HB       LYS  14 -13.984  -1.759   4.529
   88   2HB   LYS  14          1HB       LYS  14 -13.571  -1.040   2.976
   89   1HG   LYS  14          2HG       LYS  14 -13.427  -3.360   2.043
   90   2HG   LYS  14          1HG       LYS  14 -14.084  -3.944   3.573
   91   1HD   LYS  14          2HD       LYS  14 -16.114  -3.603   2.735
   92   2HD   LYS  14          1HD       LYS  14 -15.782  -1.871   2.798
   93   1HE   LYS  14          2HE       LYS  14 -16.421  -2.252   0.585
   94   2HE   LYS  14          1HE       LYS  14 -14.661  -2.188   0.528
   95   1HZ   LYS  14          1HZ       LYS  14 -16.417  -4.560   0.341
   96   2HZ   LYS  14          2HZ       LYS  14 -14.774  -4.709   0.725
   97   3HZ   LYS  14          3HZ       LYS  14 -15.239  -4.029  -0.757
   98    H    ILE  15           H        ILE  15 -11.481   0.315   3.284
   99    HA   ILE  15           HA       ILE  15 -10.131   0.921   5.783
  100    HB   ILE  15           HB       ILE  15 -10.351   2.588   3.282
  101   1HG1  ILE  15          2HG1      ILE  15  -8.449   0.430   4.146
  102   1HG2  ILE  15          1HG2      ILE  15  -8.813   4.048   4.187
  103   2HG2  ILE  15          2HG2      ILE  15  -9.759   3.613   5.611
  104   3HG2  ILE  15          3HG2      ILE  15  -8.192   2.855   5.328
  105   1HD1  ILE  15          1HD1      ILE  15  -7.114   2.537   3.754
  106   2HD1  ILE  15          2HD1      ILE  15  -6.713   1.148   2.745
  107   3HD1  ILE  15          3HD1      ILE  15  -7.681   2.467   2.087
  108    H    ALA  16           H        ALA  16 -11.320   1.672   7.398
  109    HA   ALA  16           HA       ALA  16 -13.760   3.140   6.925
  110   1HB   ALA  16          1HB       ALA  16 -13.515   1.496   8.775
  111   2HB   ALA  16          2HB       ALA  16 -12.376   2.600   9.547
  112   3HB   ALA  16          3HB       ALA  16 -14.052   3.091   9.307
  113    H    ASP  17           H        ASP  17 -10.470   3.857   7.323
  114    HA   ASP  17           HA       ASP  17 -10.573   6.389   8.544
  115   1HB   ASP  17          2HB       ASP  17  -8.592   4.841   7.037
  116   2HB   ASP  17          1HB       ASP  17  -8.452   6.578   6.788
  117    H    ARG  18           H        ARG  18 -10.741   8.431   7.749
  118    HA   ARG  18           HA       ARG  18 -12.237   8.779   5.323
  119   1HB   ARG  18          2HB       ARG  18 -12.416  10.158   7.487
  120   2HB   ARG  18          1HB       ARG  18 -10.953  10.972   6.947
  121   1HG   ARG  18          2HG       ARG  18 -12.053  11.782   4.983
  122   2HG   ARG  18          1HG       ARG  18 -13.491  10.824   5.340
  123   1HD   ARG  18          2HD       ARG  18 -12.445  13.243   6.769
  124   2HD   ARG  18          1HD       ARG  18 -14.034  12.988   6.049
  125    HE   ARG  18           HE       ARG  18 -13.125  11.549   8.459
  126   1HH1  ARG  18          2HH1      ARG  18 -15.524  13.420   6.732
  127   2HH1  ARG  18          1HH1      ARG  18 -16.758  13.179   7.935
  128   1HH2  ARG  18          2HH2      ARG  18 -14.721  11.224  10.032
  129   2HH2  ARG  18          1HH2      ARG  18 -16.307  11.918   9.815
  130    H    PHE  19           H        PHE  19  -8.947   9.319   6.423
  131    HA   PHE  19           HA       PHE  19  -8.192  10.272   3.753
  132   1HB   PHE  19          2HB       PHE  19  -6.875  10.392   6.451
  133   2HB   PHE  19          1HB       PHE  19  -5.906  10.553   4.991
  134    HD1  PHE  19           1HD      PHE  19  -5.214  12.794   5.491
  135    HD2  PHE  19           2HD      PHE  19  -9.345  11.819   5.185
  136    HE1  PHE  19           1HE      PHE  19  -5.771  15.189   5.386
  137    HE2  PHE  19           2HE      PHE  19  -9.907  14.209   5.079
  138    HZ   PHE  19           HZ       PHE  19  -8.118  15.898   5.174
  139    H    LEU  20           H        LEU  20  -8.252   8.394   2.591
  140    HA   LEU  20           HA       LEU  20  -6.693   6.135   3.585
  141   1HB   LEU  20          2HB       LEU  20  -8.016   4.740   2.334
  142   2HB   LEU  20          1HB       LEU  20  -9.150   6.019   2.709
  143    HG   LEU  20           HG       LEU  20  -7.814   6.610   0.229
  144   1HD1  LEU  20          1HD1      LEU  20  -8.991   3.866   0.531
  145   2HD1  LEU  20          2HD1      LEU  20  -8.930   4.697  -1.024
  146   3HD1  LEU  20          3HD1      LEU  20  -7.437   4.329  -0.161
  147   1HD2  LEU  20          1HD2      LEU  20 -10.084   6.748  -0.594
  148   2HD2  LEU  20          2HD2      LEU  20 -10.684   5.909   0.836
  149   3HD2  LEU  20          3HD2      LEU  20  -9.973   7.515   0.988
  150    H    LEU  21           H        LEU  21  -5.933   4.838   1.369
  151    HA   LEU  21           HA       LEU  21  -4.492   6.715  -0.325
  152   1HB   LEU  21          2HB       LEU  21  -3.281   5.766   1.905
  153   2HB   LEU  21          1HB       LEU  21  -2.844   4.521   0.747
  154    HG   LEU  21           HG       LEU  21  -2.438   7.235  -0.263
  155   1HD1  LEU  21          1HD1      LEU  21  -0.244   7.282   1.166
  156   2HD1  LEU  21          2HD1      LEU  21  -1.743   7.969   1.789
  157   3HD1  LEU  21          3HD1      LEU  21  -1.222   6.366   2.312
  158   1HD2  LEU  21          1HD2      LEU  21  -1.417   4.593  -0.576
  159   2HD2  LEU  21          2HD2      LEU  21  -1.130   6.019  -1.571
  160   3HD2  LEU  21          3HD2      LEU  21  -0.085   5.682  -0.193
  161    H    TYR  22           H        TYR  22  -3.895   5.901  -2.290
  162    HA   TYR  22           HA       TYR  22  -4.874   3.191  -2.946
  163   1HB   TYR  22          2HB       TYR  22  -4.446   5.635  -4.685
  164   2HB   TYR  22          1HB       TYR  22  -4.778   4.040  -5.334
  165    HD1  TYR  22           1HD      TYR  22  -6.342   6.036  -2.555
  166    HD2  TYR  22           2HD      TYR  22  -6.866   4.001  -6.258
  167    HE1  TYR  22           1HE      TYR  22  -8.742   6.563  -2.502
  168    HE2  TYR  22           2HE      TYR  22  -9.266   4.525  -6.209
  169    HH   TYR  22           HH       TYR  22 -10.664   6.638  -4.875
  170    H    ALA  23           H        ALA  23  -3.231   1.730  -3.157
  171    HA   ALA  23           HA       ALA  23  -0.933   2.520  -4.684
  172   1HB   ALA  23          1HB       ALA  23  -0.297   1.324  -2.018
  173   2HB   ALA  23          2HB       ALA  23   0.759   2.194  -3.128
  174   3HB   ALA  23          3HB       ALA  23  -0.464   3.069  -2.209
  175    H    MET  24           H        MET  24  -0.145   0.918  -5.865
  176    HA   MET  24           HA       MET  24   0.086  -1.108  -6.843
  177   1HB   MET  24          2HB       MET  24  -0.024  -1.757  -3.973
  178   2HB   MET  24          1HB       MET  24  -0.432  -3.092  -5.043
  179   1HG   MET  24          2HG       MET  24   1.771  -2.245  -6.270
  180   2HG   MET  24          1HG       MET  24   2.136  -1.689  -4.639
  181   1HE   MET  24          1HE       MET  24   1.956  -4.909  -2.549
  182   2HE   MET  24          2HE       MET  24   3.092  -3.567  -2.670
  183   3HE   MET  24          3HE       MET  24   1.357  -3.253  -2.655
  184    H    ASP  25           H        ASP  25  -2.468   0.242  -6.802
  185    HA   ASP  25           HA       ASP  25  -4.556  -0.063  -7.618
  186   1HB   ASP  25          2HB       ASP  25  -3.195  -2.530  -8.422
  187   2HB   ASP  25          1HB       ASP  25  -4.938  -2.710  -8.250
  188    H    SER  26           H        SER  26  -3.634  -0.784  -4.821
  189    HA   SER  26           HA       SER  26  -6.229  -1.828  -3.968
  190   1HB   SER  26          2HB       SER  26  -3.829  -2.498  -2.316
  191   2HB   SER  26          1HB       SER  26  -5.336  -3.396  -2.521
  192    HG   SER  26           HG       SER  26  -3.715  -3.127  -4.771
  193    H    TYR  27           H        TYR  27  -6.178  -1.428  -1.361
  194    HA   TYR  27           HA       TYR  27  -5.566   1.439  -1.171
  195   1HB   TYR  27          2HB       TYR  27  -7.672  -0.281   0.113
  196   2HB   TYR  27          1HB       TYR  27  -7.279   1.317   0.729
  197    HD1  TYR  27           1HD      TYR  27  -6.726   1.755  -2.628
  198    HD2  TYR  27           2HD      TYR  27  -9.947   1.017   0.085
  199    HE1  TYR  27           1HE      TYR  27  -8.322   2.746  -4.218
  200    HE2  TYR  27           2HE      TYR  27 -11.527   2.011  -1.506
  201    HH   TYR  27           HH       TYR  27 -10.794   3.944  -3.883
  202    H    TRP  28           H        TRP  28  -4.990   2.254   0.978
  203    HA   TRP  28           HA       TRP  28  -3.726   0.294   2.745
  204   1HB   TRP  28          2HB       TRP  28  -2.290   2.612   1.436
  205   2HB   TRP  28          1HB       TRP  28  -1.674   1.778   2.856
  206    HD1  TRP  28           HD       TRP  28  -2.364   1.204  -0.873
  207    HE1  TRP  28           1HE      TRP  28  -0.959  -0.792  -1.672
  208    HE3  TRP  28           3HE      TRP  28  -0.493  -0.299   3.634
  209    HZ2  TRP  28           2HZ      TRP  28   0.739  -2.755  -0.527
  210    HZ3  TRP  28           3HZ      TRP  28   1.013  -2.242   3.702
  211    HH2  TRP  28           HH       TRP  28   1.615  -3.444   1.666
  212    H    HIS  29           H        HIS  29  -3.969   0.794   4.835
  213    HA   HIS  29           HA       HIS  29  -5.517   3.093   5.586
  214   1HB   HIS  29          2HB       HIS  29  -4.406   0.707   6.943
  215   2HB   HIS  29          1HB       HIS  29  -4.623   2.129   7.953
  216    HD2  HIS  29           2HD      HIS  29  -7.410   3.113   7.835
  217    HE1  HIS  29           1HE      HIS  29  -8.756  -0.868   7.282
  218    HE2  HIS  29           2HE      HIS  29  -9.342   1.425   8.235
  219    H    SER  30           H        SER  30  -4.667   4.254   7.693
  220    HA   SER  30           HA       SER  30  -2.370   5.778   6.987
  221   1HB   SER  30          2HB       SER  30  -3.678   5.634   9.708
  222   2HB   SER  30          1HB       SER  30  -2.785   6.985   9.005
  223    HG   SER  30           HG       SER  30  -5.417   6.184   8.618
  224    H    ARG  31           H        ARG  31  -3.013   3.156   9.276
  225    HA   ARG  31           HA       ARG  31  -0.189   3.124  10.042
  226   1HB   ARG  31          2HB       ARG  31  -2.566   2.587  11.436
  227   2HB   ARG  31          1HB       ARG  31  -1.743   1.041  11.278
  228   1HG   ARG  31          2HG       ARG  31  -0.494   1.612  13.018
  229   2HG   ARG  31          1HG       ARG  31   0.246   2.860  12.011
  230   1HD   ARG  31          2HD       ARG  31  -0.828   3.536  14.268
  231   2HD   ARG  31          1HD       ARG  31  -1.132   4.529  12.843
  232    HE   ARG  31           HE       ARG  31  -3.039   2.528  13.881
  233   1HH1  ARG  31          2HH1      ARG  31  -2.341   5.663  12.470
  234   2HH1  ARG  31          1HH1      ARG  31  -4.021   6.102  12.308
  235   1HH2  ARG  31          2HH2      ARG  31  -5.234   3.094  13.675
  236   2HH2  ARG  31          1HH2      ARG  31  -5.670   4.629  12.973
  237    H    CYS  32           H        CYS  32  -2.284   1.583   7.872
  238    HA   CYS  32           HA       CYS  32  -0.931  -0.953   7.858
  239   1HB   CYS  32          2HB       CYS  32  -3.034   0.290   6.108
  240   2HB   CYS  32          1HB       CYS  32  -2.289  -1.254   5.708
  241    H    LEU  33           H        LEU  33  -0.817   2.033   5.993
  242    HA   LEU  33           HA       LEU  33   1.256   0.956   4.266
  243   1HB   LEU  33          2HB       LEU  33  -0.382   2.672   3.446
  244   2HB   LEU  33          1HB       LEU  33   0.381   3.830   4.521
  245    HG   LEU  33           HG       LEU  33   2.382   3.846   3.283
  246   1HD1  LEU  33          1HD1      LEU  33   2.482   1.349   3.036
  247   2HD1  LEU  33          2HD1      LEU  33   1.426   1.516   1.633
  248   3HD1  LEU  33          3HD1      LEU  33   3.024   2.266   1.630
  249   1HD2  LEU  33          1HD2      LEU  33   0.158   4.730   2.177
  250   2HD2  LEU  33          2HD2      LEU  33   1.701   4.779   1.321
  251   3HD2  LEU  33          3HD2      LEU  33   0.542   3.490   0.983
  252    H    LYS  34           H        LYS  34   2.691   0.320   5.853
  253    HA   LYS  34           HA       LYS  34   4.299   2.514   6.941
  254   1HB   LYS  34          2HB       LYS  34   4.088   1.834   9.080
  255   2HB   LYS  34          1HB       LYS  34   2.682   0.941   8.523
  256   1HG   LYS  34          2HG       LYS  34   5.381  -0.331   8.405
  257   2HG   LYS  34          1HG       LYS  34   4.519  -0.236   9.942
  258   1HD   LYS  34          2HD       LYS  34   2.832  -1.642   9.236
  259   2HD   LYS  34          1HD       LYS  34   3.091  -1.266   7.531
  260   1HE   LYS  34          2HE       LYS  34   4.157  -3.229   7.421
  261   2HE   LYS  34          1HE       LYS  34   5.482  -2.420   8.269
  262   1HZ   LYS  34          1HZ       LYS  34   4.474  -3.138  10.376
  263   2HZ   LYS  34          2HZ       LYS  34   4.912  -4.448   9.396
  264   3HZ   LYS  34          3HZ       LYS  34   3.283  -3.992   9.519
  265    H    CYS  35           H        CYS  35   6.523   1.924   7.304
  266    HA   CYS  35           HA       CYS  35   7.664   0.394   5.251
  267   1HB   CYS  35          2HB       CYS  35   8.735   2.238   6.620
  268   2HB   CYS  35          1HB       CYS  35   8.934   1.058   7.907
  269    H    SER  36           H        SER  36   8.311  -1.707   5.151
  270    HA   SER  36           HA       SER  36   7.386  -3.491   7.260
  271   1HB   SER  36          2HB       SER  36   8.886  -4.319   4.779
  272   2HB   SER  36          1HB       SER  36   7.740  -5.260   5.736
  273    HG   SER  36           HG       SER  36   6.724  -2.922   4.685
  274    H    SER  37           H        SER  37  10.005  -1.600   6.781
  275    HA   SER  37           HA       SER  37  11.863  -3.559   7.913
  276   1HB   SER  37          2HB       SER  37  13.073  -1.055   7.065
  277   2HB   SER  37          1HB       SER  37  13.448  -2.705   6.567
  278    HG   SER  37           HG       SER  37  11.517  -0.925   5.511
  279    H    CYS  38           H        CYS  38  11.074  -0.064   8.237
  280    HA   CYS  38           HA       CYS  38  12.064  -0.300  11.000
  281   1HB   CYS  38          2HB       CYS  38  12.711   1.995  10.930
  282   2HB   CYS  38          1HB       CYS  38  13.335   1.225   9.477
  283    H    GLN  39           H        GLN  39   9.275  -0.185   9.342
  284    HA   GLN  39           HA       GLN  39   7.107   0.112   9.886
  285   1HB   GLN  39          2HB       GLN  39   8.020   0.710  12.701
  286   2HB   GLN  39          1HB       GLN  39   6.409   0.209  12.189
  287   1HG   GLN  39          2HG       GLN  39   8.880  -1.482  11.882
  288   2HG   GLN  39          1HG       GLN  39   7.777  -1.577  13.253
  289   1HE2  GLN  39          1HE2      GLN  39   8.554  -3.466  11.066
  290   2HE2  GLN  39          2HE2      GLN  39   7.037  -4.013  10.420
  291    H    ALA  40           H        ALA  40   8.935   2.440   9.235
  292    HA   ALA  40           HA       ALA  40   8.005   4.775  10.427
  293   1HB   ALA  40          1HB       ALA  40   9.062   4.234   7.658
  294   2HB   ALA  40          2HB       ALA  40   8.662   5.850   8.243
  295   3HB   ALA  40          3HB       ALA  40   9.928   4.913   9.037
  296    H    GLN  41           H        GLN  41   6.158   5.710  10.360
  297    HA   GLN  41           HA       GLN  41   3.924   4.530   9.075
  298   1HB   GLN  41          2HB       GLN  41   4.239   6.131  11.255
  299   2HB   GLN  41          1HB       GLN  41   3.583   7.278  10.092
  300   1HG   GLN  41          2HG       GLN  41   1.849   6.225  11.459
  301   2HG   GLN  41          1HG       GLN  41   1.654   5.883   9.741
  302   1HE2  GLN  41          1HE2      GLN  41   1.525   3.842   9.103
  303   2HE2  GLN  41          2HE2      GLN  41   1.807   2.461  10.108
  304    H    LEU  42           H        LEU  42   4.787   4.632   6.943
  305    HA   LEU  42           HA       LEU  42   5.388   6.813   5.436
  306   1HB   LEU  42          2HB       LEU  42   3.936   4.307   4.604
  307   2HB   LEU  42          1HB       LEU  42   4.684   5.437   3.497
  308    HG   LEU  42           HG       LEU  42   6.125   3.815   5.591
  309   1HD1  LEU  42          1HD1      LEU  42   7.165   2.843   3.447
  310   2HD1  LEU  42          2HD1      LEU  42   5.561   2.294   3.934
  311   3HD1  LEU  42          3HD1      LEU  42   5.732   3.484   2.644
  312   1HD2  LEU  42          1HD2      LEU  42   7.463   5.335   3.399
  313   2HD2  LEU  42          2HD2      LEU  42   6.988   6.170   4.878
  314   3HD2  LEU  42          3HD2      LEU  42   8.102   4.806   4.955
  315    H    GLY  43           H        GLY  43   2.139   5.488   5.987
  316   1HA   GLY  43          1HA       GLY  43   0.985   7.660   4.410
  317   2HA   GLY  43          2HA       GLY  43   0.121   6.272   5.052
  318    H    ASP  44           H        ASP  44   2.203   8.632   6.718
  319    HA   ASP  44           HA       ASP  44  -0.075   9.914   7.935
  320   1HB   ASP  44          2HB       ASP  44   0.420   7.752   9.267
  321   2HB   ASP  44          1HB       ASP  44   1.834   8.618   9.862
  322    H    ILE  45           H        ILE  45   3.452   9.433   8.329
  323    HA   ILE  45           HA       ILE  45   3.728  12.229   9.103
  324    HB   ILE  45           HB       ILE  45   6.177  11.629   9.327
  325   1HG1  ILE  45          2HG1      ILE  45   5.530   8.770   9.486
  326   1HG2  ILE  45          1HG2      ILE  45   5.581   9.989  11.318
  327   2HG2  ILE  45          2HG2      ILE  45   5.165  11.703  11.366
  328   3HG2  ILE  45          3HG2      ILE  45   3.941  10.510  10.924
  329   1HD1  ILE  45          1HD1      ILE  45   7.826  10.419   9.022
  330   2HD1  ILE  45          2HD1      ILE  45   7.735   8.711   9.457
  331   3HD1  ILE  45          3HD1      ILE  45   7.676   9.193   7.761
  332    H    GLY  46           H        GLY  46   2.811  12.208   6.617
  333   1HA   GLY  46          1HA       GLY  46   3.675  13.754   4.885
  334   2HA   GLY  46          2HA       GLY  46   5.166  12.820   4.940
  335    H    THR  47           H        THR  47   4.871  12.461   2.624
  336    HA   THR  47           HA       THR  47   3.121  10.143   2.221
  337    HB   THR  47           HB       THR  47   2.939  11.211  -0.234
  338    HG1  THR  47           1HG      THR  47   2.810  13.486   1.489
  339   1HG2  THR  47          1HG2      THR  47   0.837  10.834   0.411
  340   2HG2  THR  47          2HG2      THR  47   0.838  12.463   1.085
  341   3HG2  THR  47          3HG2      THR  47   1.244  11.086   2.109
  342    H    SER  48           H        SER  48   4.632   8.607   2.019
  343    HA   SER  48           HA       SER  48   6.244   8.553  -0.361
  344   1HB   SER  48          2HB       SER  48   7.845   8.088   2.134
  345   2HB   SER  48          1HB       SER  48   8.390   8.588   0.536
  346    HG   SER  48           HG       SER  48   7.043  10.598   1.187
  347    H    SER  49           H        SER  49   6.973   6.435  -0.830
  348    HA   SER  49           HA       SER  49   6.924   4.308   0.977
  349   1HB   SER  49          2HB       SER  49   4.951   3.059  -0.028
  350   2HB   SER  49          1HB       SER  49   4.531   4.417   1.015
  351    HG   SER  49           HG       SER  49   3.848   4.025  -1.511
  352    H    TYR  50           H        TYR  50   7.572   2.358   0.050
  353    HA   TYR  50           HA       TYR  50   8.094   2.362  -2.826
  354   1HB   TYR  50          2HB       TYR  50  10.087   2.577  -0.690
  355   2HB   TYR  50          1HB       TYR  50  10.403   1.266  -1.824
  356    HD1  TYR  50           1HD      TYR  50  10.387   4.875  -1.337
  357    HD2  TYR  50           2HD      TYR  50  10.670   1.757  -4.229
  358    HE1  TYR  50           1HE      TYR  50  11.318   6.455  -2.947
  359    HE2  TYR  50           2HE      TYR  50  11.610   3.344  -5.847
  360    HH   TYR  50           HH       TYR  50  12.946   6.119  -5.128
  361    H    THR  51           H        THR  51   8.308   0.301  -3.727
  362    HA   THR  51           HA       THR  51   7.867  -1.961  -1.911
  363    HB   THR  51           HB       THR  51   6.248  -1.619  -4.435
  364    HG1  THR  51           1HG      THR  51   5.858  -0.636  -1.866
  365   1HG2  THR  51          1HG2      THR  51   6.227  -3.572  -2.146
  366   2HG2  THR  51          2HG2      THR  51   6.351  -3.904  -3.875
  367   3HG2  THR  51          3HG2      THR  51   4.823  -3.346  -3.190
  368    H    LYS  52           H        LYS  52   9.502  -3.247  -2.235
  369    HA   LYS  52           HA       LYS  52  10.036  -4.313  -4.848
  370   1HB   LYS  52          2HB       LYS  52  11.794  -2.285  -3.688
  371   2HB   LYS  52          1HB       LYS  52  12.638  -3.788  -4.032
  372   1HG   LYS  52          2HG       LYS  52  12.249  -3.638  -6.310
  373   2HG   LYS  52          1HG       LYS  52  10.895  -2.524  -6.108
  374   1HD   LYS  52          2HD       LYS  52  12.292  -0.705  -5.717
  375   2HD   LYS  52          1HD       LYS  52  13.660  -1.728  -5.277
  376   1HE   LYS  52          2HE       LYS  52  14.328  -1.960  -7.406
  377   2HE   LYS  52          1HE       LYS  52  12.680  -2.128  -8.006
  378   1HZ   LYS  52          1HZ       LYS  52  14.062   0.414  -7.332
  379   2HZ   LYS  52          2HZ       LYS  52  12.434   0.296  -7.790
  380   3HZ   LYS  52          3HZ       LYS  52  13.656  -0.139  -8.885
  381    H    SER  53           H        SER  53  11.231  -6.285  -4.708
  382    HA   SER  53           HA       SER  53  11.864  -8.256  -3.761
  383   1HB   SER  53          2HB       SER  53  12.404  -6.393  -1.461
  384   2HB   SER  53          1HB       SER  53  12.580  -8.137  -1.271
  385    HG   SER  53           HG       SER  53  14.476  -7.887  -2.120
  386    H    GLY  54           H        GLY  54   9.075  -6.879  -3.369
  387   1HA   GLY  54          1HA       GLY  54   7.045  -7.811  -2.731
  388   2HA   GLY  54          2HA       GLY  54   7.918  -9.119  -1.942
  389    H    MET  55           H        MET  55   9.274  -6.264  -0.959
  390    HA   MET  55           HA       MET  55   7.505  -6.134   1.385
  391   1HB   MET  55          2HB       MET  55   9.652  -5.095   2.487
  392   2HB   MET  55          1HB       MET  55   9.440  -6.835   2.403
  393   1HG   MET  55          2HG       MET  55  10.767  -6.008   0.041
  394   2HG   MET  55          1HG       MET  55  11.573  -5.248   1.416
  395   1HE   MET  55          1HE       MET  55  13.709  -6.902   2.659
  396   2HE   MET  55          2HE       MET  55  14.126  -7.822   1.215
  397   3HE   MET  55          3HE       MET  55  13.592  -6.147   1.070
  398    H    ILE  56           H        ILE  56   7.607  -4.011   2.496
  399    HA   ILE  56           HA       ILE  56   7.587  -1.842   0.502
  400    HB   ILE  56           HB       ILE  56   5.742  -2.472   2.772
  401   1HG1  ILE  56          2HG1      ILE  56   4.260  -1.259   0.879
  402   1HG2  ILE  56          1HG2      ILE  56   6.455   0.296   1.857
  403   2HG2  ILE  56          2HG2      ILE  56   4.876  -0.080   2.552
  404   3HG2  ILE  56          3HG2      ILE  56   6.342  -0.331   3.502
  405   1HD1  ILE  56          1HD1      ILE  56   5.044  -4.028   0.186
  406   2HD1  ILE  56          2HD1      ILE  56   4.307  -3.739   1.763
  407   3HD1  ILE  56          3HD1      ILE  56   3.444  -3.288   0.291
  408    H    LEU  57           H        LEU  57   8.727  -0.035   0.937
  409    HA   LEU  57           HA       LEU  57  10.137   0.081   3.523
  410   1HB   LEU  57          2HB       LEU  57  11.419   0.989   0.976
  411   2HB   LEU  57          1HB       LEU  57  12.178   0.536   2.489
  412    HG   LEU  57           HG       LEU  57  10.712  -1.573   0.996
  413   1HD1  LEU  57          1HD1      LEU  57  11.863  -0.725  -0.842
  414   2HD1  LEU  57          2HD1      LEU  57  13.271  -0.284   0.125
  415   3HD1  LEU  57          3HD1      LEU  57  12.934  -1.981  -0.218
  416   1HD2  LEU  57          1HD2      LEU  57  11.592  -2.439   2.919
  417   2HD2  LEU  57          2HD2      LEU  57  12.944  -2.712   1.819
  418   3HD2  LEU  57          3HD2      LEU  57  12.965  -1.333   2.920
  419    H    CYS  58           H        CYS  58  11.202   2.224   3.842
  420    HA   CYS  58           HA       CYS  58   9.358   4.383   3.195
  421   1HB   CYS  58          2HB       CYS  58  10.883   5.702   4.731
  422   2HB   CYS  58          1HB       CYS  58  10.029   4.364   5.496
  423    H    ARG  59           H        ARG  59  10.922   6.534   2.987
  424    HA   ARG  59           HA       ARG  59  12.185   6.270   0.430
  425   1HB   ARG  59          2HB       ARG  59  11.251   8.386   0.793
  426   2HB   ARG  59          1HB       ARG  59  11.893   8.496   2.425
  427   1HG   ARG  59          2HG       ARG  59  13.543   9.731   1.624
  428   2HG   ARG  59          1HG       ARG  59  14.127   8.310   0.753
  429   1HD   ARG  59          2HD       ARG  59  12.495   8.919  -1.076
  430   2HD   ARG  59          1HD       ARG  59  12.263  10.454  -0.235
  431    HE   ARG  59           HE       ARG  59  14.467   9.726  -1.898
  432   1HH1  ARG  59          2HH1      ARG  59  13.623  11.633   0.945
  433   2HH1  ARG  59          1HH1      ARG  59  14.965  12.719   0.758
  434   1HH2  ARG  59          2HH2      ARG  59  16.224  11.166  -2.122
  435   2HH2  ARG  59          1HH2      ARG  59  16.435  12.461  -0.974
  436    H    ASN  60           H        ASN  60  13.269   6.643   3.771
  437    HA   ASN  60           HA       ASN  60  16.039   6.767   3.215
  438   1HB   ASN  60          2HB       ASN  60  14.506   7.150   5.430
  439   2HB   ASN  60          1HB       ASN  60  15.226   5.586   5.792
  440   1HD2  ASN  60          1HD2      ASN  60  15.578   8.721   6.349
  441   2HD2  ASN  60          2HD2      ASN  60  17.296   8.833   6.516
  442    H    ASP  61           H        ASP  61  13.947   4.067   4.233
  443    HA   ASP  61           HA       ASP  61  16.065   2.208   4.384
  444   1HB   ASP  61          2HB       ASP  61  13.138   2.099   4.629
  445   2HB   ASP  61          1HB       ASP  61  13.866   0.617   4.021
  446    H    TYR  62           H        TYR  62  14.044   3.221   1.717
  447    HA   TYR  62           HA       TYR  62  14.536   1.029   0.016
  448   1HB   TYR  62          2HB       TYR  62  12.816   2.604  -0.596
  449   2HB   TYR  62          1HB       TYR  62  13.985   3.921  -0.674
  450    HD1  TYR  62           1HD      TYR  62  13.214   0.615  -2.204
  451    HD2  TYR  62           2HD      TYR  62  15.004   4.440  -2.714
  452    HE1  TYR  62           1HE      TYR  62  13.645   0.095  -4.566
  453    HE2  TYR  62           2HE      TYR  62  15.438   3.930  -5.079
  454    HH   TYR  62           HH       TYR  62  15.721   1.397  -6.400
  455    H    ILE  63           H        ILE  63  16.209   4.181   0.219
  456    HA   ILE  63           HA       ILE  63  18.144   3.487  -1.713
  457    HB   ILE  63           HB       ILE  63  18.992   5.461   0.309
  458   1HG1  ILE  63          2HG1      ILE  63  16.431   5.667   0.090
  459   1HG2  ILE  63          1HG2      ILE  63  20.195   5.090  -1.790
  460   2HG2  ILE  63          2HG2      ILE  63  18.753   5.556  -2.697
  461   3HG2  ILE  63          3HG2      ILE  63  19.577   6.739  -1.680
  462   1HD1  ILE  63          1HD1      ILE  63  17.055   7.065  -2.478
  463   2HD1  ILE  63          2HD1      ILE  63  16.491   5.395  -2.440
  464   3HD1  ILE  63          3HD1      ILE  63  15.484   6.679  -1.773
  465    H    ARG  64           H        ARG  64  17.925   2.978   1.709
  466    HA   ARG  64           HA       ARG  64  20.659   2.280   2.128
  467   1HB   ARG  64          2HB       ARG  64  18.249   2.450   3.696
  468   2HB   ARG  64          1HB       ARG  64  19.069   0.929   4.025
  469   1HG   ARG  64          2HG       ARG  64  20.654   1.938   5.210
  470   2HG   ARG  64          1HG       ARG  64  20.910   3.163   3.963
  471   1HD   ARG  64          2HD       ARG  64  18.914   4.362   4.792
  472   2HD   ARG  64          1HD       ARG  64  18.769   3.174   6.088
  473    HE   ARG  64           HE       ARG  64  21.095   4.974   5.762
  474   1HH1  ARG  64          2HH1      ARG  64  18.753   3.298   7.768
  475   2HH1  ARG  64          1HH1      ARG  64  19.445   3.869   9.264
  476   1HH2  ARG  64          2HH2      ARG  64  22.006   5.716   7.732
  477   2HH2  ARG  64          1HH2      ARG  64  21.296   5.220   9.242
  478    H    LEU  65           H        LEU  65  17.697   0.423   1.549
  479    HA   LEU  65           HA       LEU  65  18.967  -2.109   1.700
  480   1HB   LEU  65          2HB       LEU  65  16.307  -1.066   1.243
  481   2HB   LEU  65          1HB       LEU  65  16.642  -2.415   0.174
  482    HG   LEU  65           HG       LEU  65  17.408  -3.621   2.355
  483   1HD1  LEU  65          1HD1      LEU  65  16.315  -1.124   3.358
  484   2HD1  LEU  65          2HD1      LEU  65  15.523  -2.538   4.054
  485   3HD1  LEU  65          3HD1      LEU  65  17.273  -2.354   4.187
  486   1HD2  LEU  65          1HD2      LEU  65  14.705  -3.776   2.780
  487   2HD2  LEU  65          2HD2      LEU  65  14.809  -3.243   1.101
  488   3HD2  LEU  65          3HD2      LEU  65  15.620  -4.724   1.608
  489    H    PHE  66           H        PHE  66  17.536  -0.451  -1.118
  490    HA   PHE  66           HA       PHE  66  19.197  -2.166  -2.830
  491   1HB   PHE  66          2HB       PHE  66  16.734  -0.622  -3.645
  492   2HB   PHE  66          1HB       PHE  66  17.529  -1.919  -4.534
  493    HD1  PHE  66           1HD      PHE  66  17.826  -4.113  -2.920
  494    HD2  PHE  66           2HD      PHE  66  14.736  -1.198  -2.707
  495    HE1  PHE  66           1HE      PHE  66  16.366  -5.748  -1.806
  496    HE2  PHE  66           2HE      PHE  66  13.270  -2.830  -1.595
  497    HZ   PHE  66           HZ       PHE  66  14.085  -5.104  -1.140
  498    H    GLY  67           H        GLY  67  18.170   1.193  -2.409
  499   1HA   GLY  67          1HA       GLY  67  19.663   3.008  -2.773
  500   2HA   GLY  67          2HA       GLY  67  20.592   1.986  -3.856
  501    H    ASN  68           H        ASN  68  19.719   4.634  -4.380
  502    HA   ASN  68           HA       ASN  68  17.501   4.518  -6.219
  503   1HB   ASN  68          2HB       ASN  68  18.149   6.585  -4.938
  504   2HB   ASN  68          1HB       ASN  68  19.598   6.682  -5.928
  505   1HD2  ASN  68          1HD2      ASN  68  16.426   7.658  -5.610
  506   2HD2  ASN  68          2HD2      ASN  68  16.175   8.232  -7.223
  507    H    SER  69           H        SER  69  17.755   3.359  -8.010
  508    HA   SER  69           HA       SER  69  20.255   2.662  -9.061
  509   1HB   SER  69          2HB       SER  69  18.161   2.273 -10.989
  510   2HB   SER  69          1HB       SER  69  19.010   1.073 -10.015
  511    HG   SER  69           HG       SER  69  16.501   1.951  -9.761
  512    H    GLY  70           H        GLY  70  18.483   5.502  -9.500
  513   1HA   GLY  70          1HA       GLY  70  19.409   7.369 -10.557
  514   2HA   GLY  70          2HA       GLY  70  20.398   6.303 -11.536
  515    H    ALA  71           H        ALA  71  17.076   5.508 -11.431
  516    HA   ALA  71           HA       ALA  71  16.771   6.169 -14.226
  517   1HB   ALA  71          1HB       ALA  71  14.446   5.224 -12.656
  518   2HB   ALA  71          2HB       ALA  71  15.024   4.723 -14.244
  519   3HB   ALA  71          3HB       ALA  71  15.823   4.129 -12.788
  520    H    GLY  72           H        GLY  72  17.069   8.516 -13.729
  521   1HA   GLY  72          1HA       GLY  72  15.204  10.203 -14.290
  522   2HA   GLY  72          2HA       GLY  72  14.629   9.781 -12.685
  523    H    GLY  73           H        GLY  73  15.101  12.349 -13.067
  524   1HA   GLY  73          1HA       GLY  73  17.780  12.849 -11.926
  525   2HA   GLY  73          2HA       GLY  73  16.839  14.032 -12.828
  526    H    SER  74           H        SER  74  14.877  12.207 -10.828
  527    HA   SER  74           HA       SER  74  14.077  14.357  -9.237
  528   1HB   SER  74          2HB       SER  74  13.599  11.748  -8.023
  529   2HB   SER  74          1HB       SER  74  12.442  12.925  -8.646
  530    HG   SER  74           HG       SER  74  12.263  11.146  -9.937
  531    H    GLY  75           H        GLY  75  14.872  15.214  -7.423
  532   1HA   GLY  75          1HA       GLY  75  16.015  15.385  -5.415
  533   2HA   GLY  75          2HA       GLY  75  16.369  13.665  -5.507
  534    H    GLY  76           H        GLY  76  17.261  16.790  -6.911
  535   1HA   GLY  76          1HA       GLY  76  19.646  15.819  -8.123
  536   2HA   GLY  76          2HA       GLY  76  19.187  17.503  -7.934
  537    H    HIS  77           H        HIS  77  20.179  14.797  -5.850
  538    HA   HIS  77           HA       HIS  77  22.591  16.027  -5.057
  539   1HB   HIS  77          2HB       HIS  77  20.679  17.280  -3.723
  540   2HB   HIS  77          1HB       HIS  77  20.734  15.841  -2.709
  541    HD1  HIS  77           1HD      HIS  77  22.948  18.687  -3.876
  542    HD2  HIS  77           2HD      HIS  77  22.811  15.767  -0.915
  543    HE1  HIS  77           1HE      HIS  77  24.858  19.200  -2.324
  544    HE2  HIS  77           2HE      HIS  77  24.895  17.285  -0.689
  545    H    MET  78           H        MET  78  23.731  14.708  -3.414
  546    HA   MET  78           HA       MET  78  23.673  12.020  -4.012
  547   1HB   MET  78          2HB       MET  78  25.200  13.701  -2.369
  548   2HB   MET  78          1HB       MET  78  24.637  12.409  -1.320
  549   1HG   MET  78          2HG       MET  78  25.438  10.954  -3.415
  550   2HG   MET  78          1HG       MET  78  26.523  12.334  -3.578
  551   1HE   MET  78          1HE       MET  78  28.966  11.647  -2.762
  552   2HE   MET  78          2HE       MET  78  29.090  10.080  -1.963
  553   3HE   MET  78          3HE       MET  78  28.173  10.237  -3.462
  554    H    GLY  79           H        GLY  79  22.046  10.682  -3.746
  555   1HA   GLY  79          1HA       GLY  79  21.071   9.446  -1.626
  556   2HA   GLY  79          2HA       GLY  79  20.251  10.996  -1.462
  557    H    SER  80           H        SER  80  20.072  11.380  -4.360
  558    HA   SER  80           HA       SER  80  18.235   9.226  -5.117
  559   1HB   SER  80          2HB       SER  80  17.608  12.177  -5.380
  560   2HB   SER  80          1HB       SER  80  16.580  10.846  -5.912
  561    HG   SER  80           HG       SER  80  16.158  10.298  -3.841
  562    H    GLY  81           H        GLY  81  17.499  11.022  -7.495
  563   1HA   GLY  81          1HA       GLY  81  19.660  10.051  -9.175
  564   2HA   GLY  81          2HA       GLY  81  18.147  10.759  -9.719
  565    H    GLY  82           H        GLY  82  20.838  11.904  -7.686
  566   1HA   GLY  82          1HA       GLY  82  20.736  14.496  -8.990
  567   2HA   GLY  82          2HA       GLY  82  21.764  14.046  -7.639
  568    H    ASP  83           H        ASP  83  21.317  13.143 -11.058
  569    HA   ASP  83           HA       ASP  83  24.254  13.082 -11.308
  570   1HB   ASP  83          2HB       ASP  83  22.712  10.964 -11.709
  571   2HB   ASP  83          1HB       ASP  83  22.488  11.710 -13.286
  572    H    VAL  84           H        VAL  84  25.207  14.060 -13.074
  573    HA   VAL  84           HA       VAL  84  23.795  16.291 -14.198
  574    HB   VAL  84           HB       VAL  84  26.526  15.211 -14.924
  575   1HG1  VAL  84          1HG1      VAL  84  26.943  17.421 -15.841
  576   2HG1  VAL  84          2HG1      VAL  84  25.550  16.680 -16.629
  577   3HG1  VAL  84          3HG1      VAL  84  25.311  17.929 -15.407
  578   1HG2  VAL  84          1HG2      VAL  84  26.299  17.656 -13.302
  579   2HG2  VAL  84          2HG2      VAL  84  25.820  16.165 -12.489
  580   3HG2  VAL  84          3HG2      VAL  84  27.435  16.310 -13.181
  581    H    MET  85           H        MET  85  25.573  13.650 -15.802
  582    HA   MET  85           HA       MET  85  23.767  13.872 -18.094
  583   1HB   MET  85          2HB       MET  85  26.500  13.393 -17.887
  584   2HB   MET  85          1HB       MET  85  25.823  11.816 -18.277
  585   1HG   MET  85          2HG       MET  85  26.542  13.264 -20.221
  586   2HG   MET  85          1HG       MET  85  24.919  12.579 -20.297
  587   1HE   MET  85          1HE       MET  85  25.853  16.756 -18.823
  588   2HE   MET  85          2HE       MET  85  26.915  15.347 -18.866
  589   3HE   MET  85          3HE       MET  85  26.745  16.370 -20.293
  590    H    VAL  86           H        VAL  86  21.953  13.012 -16.981
  591    HA   VAL  86           HA       VAL  86  21.954  10.473 -15.744
  592    HB   VAL  86           HB       VAL  86  19.373  10.702 -16.255
  593   1HG1  VAL  86          1HG1      VAL  86  21.146  11.840 -14.246
  594   2HG1  VAL  86          2HG1      VAL  86  19.595  12.672 -14.363
  595   3HG1  VAL  86          3HG1      VAL  86  19.642  10.938 -14.053
  596   1HG2  VAL  86          1HG2      VAL  86  18.671  12.558 -17.263
  597   2HG2  VAL  86          2HG2      VAL  86  19.592  13.568 -16.149
  598   3HG2  VAL  86          3HG2      VAL  86  20.355  12.950 -17.614
  599    H    VAL  87           H        VAL  87  22.161   8.566 -16.687
  600    HA   VAL  87           HA       VAL  87  21.580   8.280 -19.534
  601    HB   VAL  87           HB       VAL  87  22.587   6.047 -17.796
  602   1HG1  VAL  87          1HG1      VAL  87  21.903   5.624 -20.141
  603   2HG1  VAL  87          2HG1      VAL  87  23.143   6.761 -20.672
  604   3HG1  VAL  87          3HG1      VAL  87  23.606   5.279 -19.837
  605   1HG2  VAL  87          1HG2      VAL  87  24.426   8.018 -19.128
  606   2HG2  VAL  87          2HG2      VAL  87  23.921   8.198 -17.448
  607   3HG2  VAL  87          3HG2      VAL  87  24.821   6.768 -17.949
  608    H    GLY  88           H        GLY  88  20.520   7.088 -16.405
  609   1HA   GLY  88          1HA       GLY  88  18.491   5.347 -17.522
  610   2HA   GLY  88          2HA       GLY  88  18.709   5.753 -15.822
  611    H    GLU  89           H        GLU  89  17.070   6.468 -18.727
  612    HA   GLU  89           HA       GLU  89  15.375   7.842 -19.306
  613   1HB   GLU  89          2HB       GLU  89  14.631   6.972 -16.891
  614   2HB   GLU  89          1HB       GLU  89  14.805   8.681 -16.513
  615   1HG   GLU  89          2HG       GLU  89  12.508   7.801 -17.248
  616   2HG   GLU  89          1HG       GLU  89  13.102   9.309 -17.941
  617    HA   PRO  90           HA       PRO  90  18.196  11.496 -18.890
  618   1HB   PRO  90          2HB       PRO  90  17.657  11.658 -21.780
  619   2HB   PRO  90          1HB       PRO  90  19.204  11.629 -20.929
  620   1HG   PRO  90          2HG       PRO  90  18.361   9.536 -22.375
  621   2HG   PRO  90          1HG       PRO  90  19.285   9.322 -20.877
  622   1HD   PRO  90          2HD       PRO  90  16.336   9.067 -21.333
  623   2HD   PRO  90          1HD       PRO  90  17.420   8.034 -20.378
  624    H    THR  91           H        THR  91  15.042  10.855 -20.025
  625    HA   THR  91           HA       THR  91  14.181  13.484 -20.658
  626    HB   THR  91           HB       THR  91  12.258  11.518 -19.521
  627    HG1  THR  91           1HG      THR  91  12.888   9.957 -20.797
  628   1HG2  THR  91          1HG2      THR  91  12.160  13.803 -21.163
  629   2HG2  THR  91          2HG2      THR  91  10.823  12.750 -20.695
  630   3HG2  THR  91          3HG2      THR  91  11.716  12.436 -22.184
  631    H    LEU  92           H        LEU  92  14.631  14.990 -19.124
  632    HA   LEU  92           HA       LEU  92  14.643  14.567 -16.371
  633   1HB   LEU  92          2HB       LEU  92  15.042  16.762 -18.152
  634   2HB   LEU  92          1HB       LEU  92  14.007  17.294 -16.839
  635    HG   LEU  92           HG       LEU  92  15.692  16.543 -15.209
  636   1HD1  LEU  92          1HD1      LEU  92  16.632  14.952 -17.206
  637   2HD1  LEU  92          2HD1      LEU  92  17.820  16.255 -17.201
  638   3HD1  LEU  92          3HD1      LEU  92  17.509  15.340 -15.726
  639   1HD2  LEU  92          1HD2      LEU  92  16.806  18.375 -17.330
  640   2HD2  LEU  92          2HD2      LEU  92  15.708  18.850 -16.034
  641   3HD2  LEU  92          3HD2      LEU  92  17.333  18.282 -15.650
  642    H    MET  93           H        MET  93  12.034  15.478 -18.501
  643    HA   MET  93           HA       MET  93  10.201  15.866 -16.274
  644   1HB   MET  93          2HB       MET  93  10.258  16.789 -18.901
  645   2HB   MET  93          1HB       MET  93   8.969  15.594 -18.896
  646   1HG   MET  93          2HG       MET  93   9.188  17.925 -17.006
  647   2HG   MET  93          1HG       MET  93   8.161  17.860 -18.437
  648   1HE   MET  93          1HE       MET  93   7.015  18.745 -15.902
  649   2HE   MET  93          2HE       MET  93   5.759  18.283 -17.051
  650   3HE   MET  93          3HE       MET  93   5.688  17.701 -15.388
  651    H    GLY  94           H        GLY  94  10.987  13.578 -15.676
  652   1HA   GLY  94          1HA       GLY  94   8.894  11.759 -15.899
  653   2HA   GLY  94          2HA       GLY  94  10.054  11.356 -17.158
  654    H    GLY  95           H        GLY  95  10.477   9.354 -16.143
  655   1HA   GLY  95          1HA       GLY  95  12.338   8.304 -15.022
  656   2HA   GLY  95          2HA       GLY  95  12.302   9.608 -13.841
  657    H    GLU  96           H        GLU  96  12.286   6.833 -13.216
  658    HA   GLU  96           HA       GLU  96   9.590   6.051 -12.600
  659   1HB   GLU  96          2HB       GLU  96  12.116   4.780 -12.739
  660   2HB   GLU  96          1HB       GLU  96  11.519   4.553 -11.099
  661   1HG   GLU  96          2HG       GLU  96  10.769   2.705 -12.354
  662   2HG   GLU  96          1HG       GLU  96   9.368   3.742 -12.099
  663    H    PHE  97           H        PHE  97  12.304   7.404 -10.833
  664    HA   PHE  97           HA       PHE  97  11.017   7.321  -8.270
  665   1HB   PHE  97          2HB       PHE  97  13.335   9.063  -9.148
  666   2HB   PHE  97          1HB       PHE  97  12.885   8.663  -7.494
  667    HD1  PHE  97           1HD      PHE  97  13.527   6.572  -6.505
  668    HD2  PHE  97           2HD      PHE  97  14.342   7.359 -10.606
  669    HE1  PHE  97           1HE      PHE  97  14.990   4.603  -6.588
  670    HE2  PHE  97           2HE      PHE  97  15.810   5.388 -10.689
  671    HZ   PHE  97           HZ       PHE  97  16.134   4.006  -8.681
  672    H    GLY  98           H        GLY  98   9.641   8.764  -7.414
  673   1HA   GLY  98          1HA       GLY  98   8.412  10.567  -9.258
  674   2HA   GLY  98          2HA       GLY  98   7.896  10.252  -7.611
  675    H    ASP  99           H        ASP  99   8.377  11.681  -6.030
  676    HA   ASP  99           HA       ASP  99   9.031  14.321  -6.830
  677   1HB   ASP  99          2HB       ASP  99   7.593  13.472  -4.816
  678   2HB   ASP  99          1HB       ASP  99   9.133  13.444  -3.960
  679    H    GLU 100           H        GLU 100  10.633  12.633  -4.177
  680    HA   GLU 100           HA       GLU 100  13.237  13.460  -5.291
  681   1HB   GLU 100          2HB       GLU 100  12.399  12.698  -2.491
  682   2HB   GLU 100          1HB       GLU 100  14.085  12.746  -2.985
  683   1HG   GLU 100          2HG       GLU 100  13.165  15.184  -3.810
  684   2HG   GLU 100          1HG       GLU 100  12.258  14.917  -2.323
  685    H    ASP 101           H        ASP 101  11.282  10.897  -3.980
  686    HA   ASP 101           HA       ASP 101  12.560   8.948  -5.706
  687   1HB   ASP 101          2HB       ASP 101  12.690   8.837  -2.712
  688   2HB   ASP 101          1HB       ASP 101  12.467   7.333  -3.602
  689    H    GLU 102           H        GLU 102  10.370   9.420  -3.021
  690    HA   GLU 102           HA       GLU 102   8.537   7.445  -3.274
  691   1HB   GLU 102          2HB       GLU 102   7.300  10.039  -2.747
  692   2HB   GLU 102          1HB       GLU 102   7.387   8.608  -1.735
  693   1HG   GLU 102          2HG       GLU 102   8.643   9.985  -0.467
  694   2HG   GLU 102          1HG       GLU 102   9.917   9.388  -1.529
  695    H    ARG 103           H        ARG 103   7.038   6.831  -4.620
  696    HA   ARG 103           HA       ARG 103   5.602   8.625  -6.345
  697   1HB   ARG 103          2HB       ARG 103   7.891   8.041  -7.462
  698   2HB   ARG 103          1HB       ARG 103   7.151   6.476  -7.764
  699   1HG   ARG 103          2HG       ARG 103   5.350   8.542  -8.563
  700   2HG   ARG 103          1HG       ARG 103   6.934   8.818  -9.292
  701   1HD   ARG 103          2HD       ARG 103   6.921   6.759 -10.387
  702   2HD   ARG 103          1HD       ARG 103   5.668   6.102  -9.332
  703    HE   ARG 103           HE       ARG 103   5.291   7.880 -11.620
  704   1HH1  ARG 103          2HH1      ARG 103   3.882   6.136  -8.927
  705   2HH1  ARG 103          1HH1      ARG 103   2.260   6.220  -9.554
  706   1HH2  ARG 103          2HH2      ARG 103   3.171   8.016 -12.441
  707   2HH2  ARG 103          1HH2      ARG 103   1.857   7.294 -11.556
  708    H    LEU 104           H        LEU 104   5.257   6.501  -4.252
  709    HA   LEU 104           HA       LEU 104   3.632   4.597  -5.805
  710   1HB   LEU 104          2HB       LEU 104   5.613   3.848  -4.290
  711   2HB   LEU 104          1HB       LEU 104   4.490   4.129  -2.974
  712    HG   LEU 104           HG       LEU 104   3.109   2.550  -4.852
  713   1HD1  LEU 104          1HD1      LEU 104   5.988   1.867  -4.627
  714   2HD1  LEU 104          2HD1      LEU 104   4.815   0.550  -4.608
  715   3HD1  LEU 104          3HD1      LEU 104   4.876   1.658  -5.980
  716   1HD2  LEU 104          1HD2      LEU 104   3.703   0.819  -2.899
  717   2HD2  LEU 104          2HD2      LEU 104   4.140   2.325  -2.093
  718   3HD2  LEU 104          3HD2      LEU 104   2.506   2.101  -2.715
  719    H    ILE 105           H        ILE 105   3.657   6.736  -2.999
  720    HA   ILE 105           HA       ILE 105   1.063   5.994  -2.110
  721    HB   ILE 105           HB       ILE 105   2.950   8.192  -1.427
  722   1HG1  ILE 105          2HG1      ILE 105   1.483   6.007   0.023
  723   1HG2  ILE 105          1HG2      ILE 105   0.874   8.758   0.237
  724   2HG2  ILE 105          2HG2      ILE 105   1.283   9.681  -1.209
  725   3HG2  ILE 105          3HG2      ILE 105   0.033   8.437  -1.281
  726   1HD1  ILE 105          1HD1      ILE 105   3.184   7.027   1.888
  727   2HD1  ILE 105          2HD1      ILE 105   2.490   8.485   1.177
  728   3HD1  ILE 105          3HD1      ILE 105   1.435   7.250   1.865
  729    H    THR 106           H        THR 106  -0.777   6.399  -3.011
  730    HA   THR 106           HA       THR 106  -1.127   8.847  -4.600
  731    HB   THR 106           HB       THR 106  -2.555   6.185  -4.782
  732    HG1  THR 106           1HG      THR 106  -1.063   5.896  -6.236
  733   1HG2  THR 106          1HG2      THR 106  -3.363   8.869  -5.752
  734   2HG2  THR 106          2HG2      THR 106  -4.353   7.489  -5.270
  735   3HG2  THR 106          3HG2      THR 106  -3.578   7.510  -6.855
  736    H    ARG 107           H        ARG 107  -1.583  10.132  -2.836
  737    HA   ARG 107           HA       ARG 107  -3.293   9.292  -0.743
  738   1HB   ARG 107          2HB       ARG 107  -1.491  11.399  -1.191
  739   2HB   ARG 107          1HB       ARG 107  -3.044  12.160  -0.870
  740   1HG   ARG 107          2HG       ARG 107  -1.832  10.053   0.902
  741   2HG   ARG 107          1HG       ARG 107  -1.602  11.785   1.137
  742   1HD   ARG 107          2HD       ARG 107  -4.180  11.903   1.094
  743   2HD   ARG 107          1HD       ARG 107  -4.109  10.165   1.380
  744    HE   ARG 107           HE       ARG 107  -3.137  12.259   3.195
  745   1HH1  ARG 107          2HH1      ARG 107  -4.096   8.949   2.605
  746   2HH1  ARG 107          1HH1      ARG 107  -3.919   8.459   4.262
  747   1HH2  ARG 107          2HH2      ARG 107  -2.941  11.656   5.375
  748   2HH2  ARG 107          1HH2      ARG 107  -3.285  10.014   5.854
  749    H    LEU 108           H        LEU 108  -5.398   9.175  -0.740
  750    HA   LEU 108           HA       LEU 108  -6.979  11.231  -2.071
  751   1HB   LEU 108          2HB       LEU 108  -6.666   8.517  -3.021
  752   2HB   LEU 108          1HB       LEU 108  -8.335   8.825  -2.580
  753    HG   LEU 108           HG       LEU 108  -7.315  11.015  -4.149
  754   1HD1  LEU 108          1HD1      LEU 108  -5.812   9.705  -5.310
  755   2HD1  LEU 108          2HD1      LEU 108  -6.790   8.247  -5.143
  756   3HD1  LEU 108          3HD1      LEU 108  -7.273   9.509  -6.277
  757   1HD2  LEU 108          1HD2      LEU 108  -9.484   8.960  -4.551
  758   2HD2  LEU 108          2HD2      LEU 108  -9.662  10.579  -3.872
  759   3HD2  LEU 108          3HD2      LEU 108  -9.248  10.376  -5.575
  760    H    GLU 109           H        GLU 109  -8.519  11.888  -0.710
  761    HA   GLU 109           HA       GLU 109  -9.127  10.246   1.609
  762   1HB   GLU 109          2HB       GLU 109  -9.985  12.148   2.630
  763   2HB   GLU 109          1HB       GLU 109  -8.684  12.793   1.645
  764   1HG   GLU 109          2HG       GLU 109 -10.076  14.131   0.579
  765   2HG   GLU 109          1HG       GLU 109 -11.129  12.781   0.154
  766    H    ASN 110           H        ASN 110 -11.415  10.012   2.261
  767    HA   ASN 110           HA       ASN 110 -12.757   8.433   0.476
  768   1HB   ASN 110          2HB       ASN 110 -13.159   8.434   2.900
  769   2HB   ASN 110          1HB       ASN 110 -13.975   9.989   2.768
  770   1HD2  ASN 110          1HD2      ASN 110 -15.961   9.373   3.444
  771   2HD2  ASN 110          2HD2      ASN 110 -16.964   8.246   2.589
  772    H    THR 111           H        THR 111 -13.208  11.898   0.986
  773    HA   THR 111           HA       THR 111 -15.235  11.890  -1.151
  774    HB   THR 111           HB       THR 111 -14.968  14.406   0.270
  775    HG1  THR 111           1HG      THR 111 -14.337  13.012   1.997
  776   1HG2  THR 111          1HG2      THR 111 -17.282  12.474   0.145
  777   2HG2  THR 111          2HG2      THR 111 -16.897  13.635  -1.127
  778   3HG2  THR 111          3HG2      THR 111 -17.349  14.203   0.482
  779    H    GLN 112           H        GLN 112 -12.316  11.826  -1.608
  780    HA   GLN 112           HA       GLN 112 -11.606  14.487  -2.475
  781   1HB   GLN 112          2HB       GLN 112 -10.042  12.535  -1.671
  782   2HB   GLN 112          1HB       GLN 112 -10.113  12.052  -3.361
  783   1HG   GLN 112          2HG       GLN 112  -9.119  14.063  -4.084
  784   2HG   GLN 112          1HG       GLN 112  -9.342  14.828  -2.511
  785   1HE2  GLN 112          1HE2      GLN 112  -7.239  13.125  -4.501
  786   2HE2  GLN 112          2HE2      GLN 112  -6.015  12.758  -3.325
  787    H    PHE 113           H        PHE 113 -13.753  14.389  -3.720
  788    HA   PHE 113           HA       PHE 113 -13.383  13.244  -6.391
  789   1HB   PHE 113          2HB       PHE 113 -15.819  14.699  -5.348
  790   2HB   PHE 113          1HB       PHE 113 -15.711  13.674  -6.775
  791    HD1  PHE 113           1HD      PHE 113 -17.117  13.759  -3.723
  792    HD2  PHE 113           2HD      PHE 113 -14.533  11.249  -5.986
  793    HE1  PHE 113           1HE      PHE 113 -17.814  11.829  -2.369
  794    HE2  PHE 113           2HE      PHE 113 -15.223   9.314  -4.632
  795    HZ   PHE 113           HZ       PHE 113 -16.873   9.603  -2.825
  796    H    ASP 114           H        ASP 114 -14.453  16.326  -4.955
  797    HA   ASP 114           HA       ASP 114 -12.723  17.719  -6.856
  798   1HB   ASP 114          2HB       ASP 114 -15.038  17.735  -7.809
  799   2HB   ASP 114          1HB       ASP 114 -15.573  18.600  -6.371
  800    H    ALA 115           H        ALA 115 -14.895  18.034  -4.084
  801    HA   ALA 115           HA       ALA 115 -13.171  20.159  -3.010
  802   1HB   ALA 115          1HB       ALA 115 -16.026  19.505  -2.755
  803   2HB   ALA 115          2HB       ALA 115 -15.238  20.008  -1.259
  804   3HB   ALA 115          3HB       ALA 115 -15.205  21.064  -2.672
  805    H    ALA 116           H        ALA 116 -12.644  20.042  -0.701
  806    HA   ALA 116           HA       ALA 116 -11.930  17.300   0.029
  807   1HB   ALA 116          1HB       ALA 116 -10.868  18.985   1.950
  808   2HB   ALA 116          2HB       ALA 116 -10.021  18.335   0.545
  809   3HB   ALA 116          3HB       ALA 116 -10.776  19.927   0.462
  810    H    ASN 117           H        ASN 117 -12.517  16.360   1.999
  811    HA   ASN 117           HA       ASN 117 -14.890  17.559   3.250
  812   1HB   ASN 117          2HB       ASN 117 -15.128  15.259   2.431
  813   2HB   ASN 117          1HB       ASN 117 -13.759  14.753   3.414
  814   1HD2  ASN 117          1HD2      ASN 117 -17.106  15.554   3.365
  815   2HD2  ASN 117          2HD2      ASN 117 -17.454  15.123   5.004
  816    H    GLY 118           H        GLY 118 -12.042  15.683   4.289
  817   1HA   GLY 118          1HA       GLY 118 -10.459  16.362   5.878
  818   2HA   GLY 118          2HA       GLY 118 -11.516  17.687   6.337
  819    H    ILE 119           H        ILE 119 -13.597  16.970   7.450
  820    HA   ILE 119           HA       ILE 119 -13.779  14.495   8.733
  821    HB   ILE 119           HB       ILE 119 -11.739  15.238   9.904
  822   1HG1  ILE 119          2HG1      ILE 119 -13.073  15.208  12.300
  823   1HG2  ILE 119          1HG2      ILE 119 -11.864  17.027  11.579
  824   2HG2  ILE 119          2HG2      ILE 119 -12.085  17.625   9.935
  825   3HG2  ILE 119          3HG2      ILE 119 -13.478  17.437  10.999
  826   1HD1  ILE 119          1HD1      ILE 119 -12.156  13.203  12.458
  827   2HD1  ILE 119          2HD1      ILE 119 -13.129  12.580  11.125
  828   3HD1  ILE 119          3HD1      ILE 119 -11.606  13.404  10.793
  829    H    ASP 120           H        ASP 120 -14.421  17.942   8.918
  830    HA   ASP 120           HA       ASP 120 -16.107  19.127   9.942
  831   1HB   ASP 120          2HB       ASP 120 -18.275  18.691   8.579
  832   2HB   ASP 120          1HB       ASP 120 -16.847  19.333   7.789
  833    H    ASP 121           H        ASP 121 -18.248  16.463   9.209
  834    HA   ASP 121           HA       ASP 121 -19.684  15.231  10.470
  835   1HB   ASP 121          2HB       ASP 121 -17.513  15.395  12.192
  836   2HB   ASP 121          1HB       ASP 121 -18.857  15.999  13.159
  837    H    GLU 122           H        GLU 122 -20.343  17.630   9.517
  838    HA   GLU 122           HA       GLU 122 -21.812  19.010  11.644
  839   1HB   GLU 122          2HB       GLU 122 -21.414  19.870   8.771
  840   2HB   GLU 122          1HB       GLU 122 -22.069  20.843  10.081
  841   1HG   GLU 122          2HG       GLU 122 -19.555  19.990  10.958
  842   2HG   GLU 122          1HG       GLU 122 -19.344  20.462   9.273