*HEADER    SIGNALING PROTEIN                       08-JUN-04   1TK7              
*TITLE     NMR STRUCTURE OF WW DOMAINS (WW3-4) FROM SUPPRESSOR OF                
*TITLE    2 DELTEX                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CG4244-PB;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
*SOURCE   4 GENE: SU(DX);                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BCL21;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
*KEYWDS    WW DOMAIN, NOTCH                                                      
*EXPDTA    NMR, 7 STRUCTURES                                                     
*AUTHOR    O.Y.FEDOROFF, J.M.AVIS, A.P.GOLOVANOV, M.BARON, S.A.TOWNSON           
*REVDAT   1   20-JUL-04 1TK7    0                                                

 ASSI {   38}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     6.000     0.000 peak    38 weight  0.10000E+01 volume  0.11272E-04 ppm1     10.409 ppm2      7.852 CV     1
 ASSI {   47}
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     5.900     0.000 peak    47 weight  0.10000E+01 volume  0.75944E-04 ppm1     10.478 ppm2      7.658 CV     1
 ASSI {   50}
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HZ2 ))
      3.200     1.300     1.300 peak    50 weight  0.10000E+01 volume  0.13082E-02 ppm1     10.476 ppm2      7.308 CV     1
 ASSI {   51}
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.800     1.000     1.000 peak    51 weight  0.10000E+01 volume  0.29011E-02 ppm1     10.476 ppm2      7.066 CV     1
 ASSI {   57}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HZ2 ))
      2.900     1.100     1.100 peak    57 weight  0.10000E+01 volume  0.22469E-02 ppm1     10.408 ppm2      7.432 CV     1
 ASSI {   58}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 17   and name HD1 ))
      2.600     0.900     0.900 peak    58 weight  0.10000E+01 volume  0.43996E-02 ppm1     10.408 ppm2      7.070 CV     1
 ASSI {   59}
   (( segid "    " and resid 17   and name HE1 ))
   (  segid "    " and resid 29   and name HD% )
      6.000     5.000     0.000 peak    59 weight  0.10000E+01 volume  0.46467E-04 ppm1     10.405 ppm2      6.709 CV     1
 ASSI {   61}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HB2 ))
      6.000     6.000     0.000 peak    61 weight  0.10000E+01 volume  0.11426E-04 ppm1     10.410 ppm2      2.416 CV     1
 ASSI {   62}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HG2 ))
      3.700     1.700     1.700 peak    62 weight  0.10000E+01 volume  0.50470E-03 ppm1     10.408 ppm2      1.989 CV     1
 ASSI {   63}
   (( segid "    " and resid 17   and name HE1 ))
   (( segid "    " and resid 42   and name HD2 ))
      5.400     3.700     0.600 peak    63 weight  0.10000E+01 volume  0.16248E-03 ppm1     10.408 ppm2      1.418 CV     1
 ASSI {  145}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.500     1.600     1.600 peak   145 weight  0.10000E+01 volume  0.21108E-02 ppm1      8.179 ppm2      1.913 CV     1
 ASSI {  173}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   173 weight  0.10000E+01 volume  0.17192E-02 ppm1      8.955 ppm2      4.423 CV     1
 ASSI {  175}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      2.600     0.800     0.800 peak   175 weight  0.10000E+01 volume  0.15696E-02 ppm1      8.952 ppm2      0.836 CV     1
 ASSI {  176}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.800     0.000 peak   176 weight  0.10000E+01 volume  0.36975E-04 ppm1      8.948 ppm2      9.498 CV     1
 ASSI {  177}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     3.000     3.000 peak   177 weight  0.10000E+01 volume  0.28267E-02 ppm1      8.950 ppm2      1.534 CV     1
 ASSI {  184}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     6.000     0.000 peak   184 weight  0.10000E+01 volume  0.11120E-04 ppm1      8.542 ppm2      5.259 CV     1
 ASSI {  185}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   185 weight  0.10000E+01 volume  0.61802E-02 ppm1      8.536 ppm2      4.417 CV     1
 ASSI {  186}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.300     2.300     1.700 peak   186 weight  0.10000E+01 volume  0.12162E-03 ppm1      8.537 ppm2      1.509 CV     1
 ASSI {  196}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.400     3.700     0.600 peak   196 weight  0.10000E+01 volume  0.15146E-03 ppm1      8.022 ppm2      8.651 CV     1
 ASSI {  212}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 73   and name HD% )
      5.800     4.200     0.200 peak   212 weight  0.10000E+01 volume  0.12336E-03 ppm1      8.021 ppm2      7.020 CV     1
 ASSI {  213}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.200     2.200     3.800 peak   213 weight  0.10000E+01 volume  0.71225E-02 ppm1      8.019 ppm2      4.236 CV     1
 ASSI {  222}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG12))
      3.200     3.200     2.800 peak   222 weight  0.10000E+01 volume  0.37736E-02 ppm1      8.017 ppm2      0.446 CV     1
 ASSI {  245}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.100     0.600     0.600 peak   245 weight  0.10000E+01 volume  0.78377E-02 ppm1      8.888 ppm2      4.523 CV     1
 ASSI {  246}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   246 weight  0.10000E+01 volume  0.15214E-02 ppm1      8.888 ppm2      4.104 CV     1
 ASSI {  248}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.300     1.300     1.300 peak   248 weight  0.10000E+01 volume  0.36263E-02 ppm1      8.888 ppm2      2.188 CV     1
 ASSI {  252}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.400     1.400     1.400 peak   252 weight  0.10000E+01 volume  0.57279E-03 ppm1      8.889 ppm2      0.836 CV     1
 ASSI {  259}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     6.000     0.000 peak   259 weight  0.10000E+01 volume  0.11006E-04 ppm1      8.883 ppm2      9.616 CV     1
 ASSI {  307}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      2.700     0.900     0.900 peak   307 weight  0.10000E+01 volume  0.39557E-02 ppm1      9.010 ppm2      0.907 CV     1
 ASSI {  308}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.000     0.500     0.500 peak   308 weight  0.10000E+01 volume  0.80050E-02 ppm1      9.008 ppm2      4.783 CV     1
 ASSI {  309}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   309 weight  0.10000E+01 volume  0.16388E-02 ppm1      9.007 ppm2      2.720 CV     1
 ASSI {  326}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   326 weight  0.10000E+01 volume  0.28776E-02 ppm1      9.334 ppm2      8.934 CV     1
 ASSI {  327}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      3.600     1.600     1.600 peak   327 weight  0.10000E+01 volume  0.14809E-02 ppm1      9.329 ppm2      7.687 CV     1
 ASSI {  328}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.000     1.100     1.100 peak   328 weight  0.10000E+01 volume  0.13603E-02 ppm1      9.331 ppm2      5.093 CV     1
 ASSI {  329}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak   329 weight  0.10000E+01 volume  0.34858E-02 ppm1      9.329 ppm2      4.695 CV     1
 ASSI {  330}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      4.200     2.200     1.800 peak   330 weight  0.10000E+01 volume  0.56013E-03 ppm1      9.330 ppm2      4.438 CV     1
 ASSI {  337}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.000     2.000     2.000 peak   337 weight  0.10000E+01 volume  0.10761E-02 ppm1      9.326 ppm2      1.917 CV     1
 ASSI {  342}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   342 weight  0.10000E+01 volume  0.11728E-02 ppm1      8.453 ppm2      8.222 CV     1
 ASSI {  345}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.100     3.100     2.900 peak   345 weight  0.10000E+01 volume  0.26014E-02 ppm1      8.452 ppm2      2.688 CV     1
 ASSI {  356}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.900     3.000     1.100 peak   356 weight  0.10000E+01 volume  0.11590E-03 ppm1      8.432 ppm2      8.714 CV     1
 ASSI {  362}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.100     1.200     1.200 peak   362 weight  0.10000E+01 volume  0.21439E-02 ppm1      8.372 ppm2      3.831 CV     1
 OR {  362}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG  ))
 ASSI {  363}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG  ))
      2.100     2.100     3.900 peak   363 weight  0.10000E+01 volume  0.83151E-02 ppm1      8.374 ppm2      1.611 CV     1
 ASSI {  368}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.900     3.000     1.100 peak   368 weight  0.10000E+01 volume  0.25745E-03 ppm1      8.430 ppm2      7.841 CV     1
 ASSI {  369}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.000     0.500     0.500 peak   369 weight  0.10000E+01 volume  0.10296E-01 ppm1      8.431 ppm2      4.448 CV     1
 ASSI {  370}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      2.200     0.600     0.600 peak   370 weight  0.10000E+01 volume  0.75988E-02 ppm1      8.431 ppm2      1.930 CV     1
 ASSI {  373}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.200     3.200     2.800 peak   373 weight  0.10000E+01 volume  0.30728E-02 ppm1      8.432 ppm2      0.756 CV     1
 ASSI {  379}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 29   and name HZ  ))
      3.100     1.200     1.200 peak   379 weight  0.10000E+01 volume  0.20705E-02 ppm1      8.349 ppm2      7.268 CV     1
 ASSI {  380}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 29   and name HE% )
      4.700     2.800     1.300 peak   380 weight  0.10000E+01 volume  0.10044E-03 ppm1      8.345 ppm2      7.033 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak   382 weight  0.10000E+01 volume  0.65615E-02 ppm1      8.349 ppm2      2.674 CV     1
 ASSI {  412}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     6.000     0.000 peak   412 weight  0.10000E+01 volume  0.34691E-04 ppm1      8.373 ppm2      9.149 CV     1
 ASSI {  414}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak   414 weight  0.10000E+01 volume  0.22025E-02 ppm1      8.368 ppm2      7.325 CV     1
 ASSI {  417}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.000     2.000     2.000 peak   417 weight  0.10000E+01 volume  0.84313E-03 ppm1      8.368 ppm2      5.456 CV     1
 ASSI {  418}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   418 weight  0.10000E+01 volume  0.73174E-03 ppm1      8.366 ppm2      3.697 CV     1
 ASSI {  427}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.300     2.400     1.700 peak   427 weight  0.10000E+01 volume  0.17470E-03 ppm1      8.110 ppm2      4.168 CV     1
 ASSI {  428}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   428 weight  0.10000E+01 volume  0.15409E-02 ppm1      8.110 ppm2      3.572 CV     1
 ASSI {  430}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HE  ))
      3.500     1.600     1.600 peak   430 weight  0.10000E+01 volume  0.15050E-02 ppm1      8.107 ppm2      9.203 CV     1
 ASSI {  433}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.900     0.900 peak   433 weight  0.10000E+01 volume  0.28424E-02 ppm1      8.109 ppm2      3.987 CV     1
 ASSI {  434}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.600     0.800     0.800 peak   434 weight  0.10000E+01 volume  0.26560E-02 ppm1      8.109 ppm2      2.732 CV     1
 ASSI {  436}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HD2 ))
      4.100     2.100     1.900 peak   436 weight  0.10000E+01 volume  0.12316E-02 ppm1      8.109 ppm2      0.811 CV     1
 ASSI {  462}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.600     1.400 peak   462 weight  0.10000E+01 volume  0.96060E-04 ppm1      8.562 ppm2      3.862 CV     1
 ASSI {  464}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.200     1.200 peak   464 weight  0.10000E+01 volume  0.14686E-02 ppm1      8.557 ppm2      2.529 CV     1
 ASSI {  468}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     6.000     0.000 peak   468 weight  0.10000E+01 volume  0.10568E-04 ppm1      8.542 ppm2      9.422 CV     1
 ASSI {  469}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.900     2.900     1.100 peak   469 weight  0.10000E+01 volume  0.64496E-04 ppm1      8.540 ppm2      7.551 CV     1
 ASSI {  470}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      5.900     4.400     0.100 peak   470 weight  0.10000E+01 volume  0.89825E-04 ppm1      8.540 ppm2      6.721 CV     1
 ASSI {  489}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     3.300     2.700 peak   489 weight  0.10000E+01 volume  0.12427E-02 ppm1      8.655 ppm2      4.240 CV     1
 ASSI {  490}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.300     1.400     1.400 peak   490 weight  0.10000E+01 volume  0.27805E-02 ppm1      8.653 ppm2      2.222 CV     1
 ASSI {  491}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      3.000     1.100     1.100 peak   491 weight  0.10000E+01 volume  0.38908E-02 ppm1      8.654 ppm2      1.458 CV     1
 ASSI {  501}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak   501 weight  0.10000E+01 volume  0.46360E-02 ppm1      8.655 ppm2      4.803 CV     1
 ASSI {  506}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG12))
      2.500     0.800     0.800 peak   506 weight  0.10000E+01 volume  0.26292E-02 ppm1      8.653 ppm2      0.444 CV     1
 ASSI {  512}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      6.000     4.700     0.000 peak   512 weight  0.10000E+01 volume  0.73191E-04 ppm1      8.938 ppm2      7.687 CV     1
 ASSI {  514}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      5.300     3.500     0.700 peak   514 weight  0.10000E+01 volume  0.13100E-03 ppm1      8.941 ppm2      4.443 CV     1
 ASSI {  518}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      4.100     2.100     1.900 peak   518 weight  0.10000E+01 volume  0.49761E-03 ppm1      8.935 ppm2      8.178 CV     1
 ASSI {  520}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.300     2.300     1.700 peak   520 weight  0.10000E+01 volume  0.93388E-03 ppm1      8.933 ppm2      4.695 CV     1
 ASSI {  524}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      2.400     0.700     0.700 peak   524 weight  0.10000E+01 volume  0.59293E-02 ppm1      8.934 ppm2      1.921 CV     1
 ASSI {  529}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 73   and name HD% )
      5.400     3.700     0.600 peak   529 weight  0.10000E+01 volume  0.50163E-04 ppm1      8.936 ppm2      7.030 CV     1
 ASSI {  530}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      6.000     4.500     0.000 peak   530 weight  0.10000E+01 volume  0.32360E-04 ppm1      8.930 ppm2      3.294 CV     1
 ASSI {  534}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.200     1.200 peak   534 weight  0.10000E+01 volume  0.98053E-03 ppm1      8.763 ppm2      4.122 CV     1
 ASSI {  535}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak   535 weight  0.10000E+01 volume  0.22307E-03 ppm1      8.764 ppm2      3.360 CV     1
 ASSI {  537}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      3.100     1.200     1.200 peak   537 weight  0.10000E+01 volume  0.16110E-02 ppm1      8.764 ppm2      2.263 CV     1
 ASSI {  539}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.400     1.400     1.400 peak   539 weight  0.10000E+01 volume  0.85893E-03 ppm1      8.764 ppm2      0.831 CV     1
 ASSI {  540}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     5.600     0.000 peak   540 weight  0.10000E+01 volume  0.36408E-04 ppm1      8.581 ppm2      4.104 CV     1
 ASSI {  543}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.500     1.500 peak   543 weight  0.10000E+01 volume  0.63839E-03 ppm1      8.536 ppm2      8.051 CV     1
 ASSI {  548}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 43   and name HE  ))
      3.500     3.500     2.500 peak   548 weight  0.10000E+01 volume  0.17302E-03 ppm1      8.842 ppm2      8.760 CV     1
 ASSI {  554}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      2.500     0.800     0.800 peak   554 weight  0.10000E+01 volume  0.94881E-02 ppm1      8.764 ppm2      1.804 CV     1
 ASSI {  560}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   560 weight  0.10000E+01 volume  0.12251E-02 ppm1      8.692 ppm2      4.176 CV     1
 ASSI {  561}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.500     2.500     1.500 peak   561 weight  0.10000E+01 volume  0.15266E-03 ppm1      8.693 ppm2      3.586 CV     1
 ASSI {  563}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.400     1.400     1.400 peak   563 weight  0.10000E+01 volume  0.76004E-03 ppm1      8.691 ppm2      2.725 CV     1
 ASSI {  564}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      3.100     1.200     1.200 peak   564 weight  0.10000E+01 volume  0.19234E-02 ppm1      8.693 ppm2      2.234 CV     1
 ASSI {  565}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   565 weight  0.10000E+01 volume  0.92269E-02 ppm1      8.693 ppm2      1.795 CV     1
 ASSI {  568}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 87   and name HD2 ))
      3.400     1.400     1.400 peak   568 weight  0.10000E+01 volume  0.12924E-02 ppm1      8.693 ppm2      0.803 CV     1
 ASSI {  571}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.000     2.000     4.000 peak   571 weight  0.10000E+01 volume  0.54088E-02 ppm1      8.535 ppm2      4.102 CV     1
 ASSI {  572}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.100     1.200     1.200 peak   572 weight  0.10000E+01 volume  0.18890E-02 ppm1      8.534 ppm2      2.707 CV     1
 ASSI {  573}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.300     1.300     1.300 peak   573 weight  0.10000E+01 volume  0.86040E-03 ppm1      8.536 ppm2      1.838 CV     1
 ASSI {  575}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 60   and name HA2 ))
      6.000     4.700     0.000 peak   575 weight  0.10000E+01 volume  0.11083E-04 ppm1      8.894 ppm2      4.494 CV     1
 ASSI {  581}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HE1 ))
      3.900     1.900     1.900 peak   581 weight  0.10000E+01 volume  0.91433E-03 ppm1      8.883 ppm2      6.857 CV     1
 ASSI {  583}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak   583 weight  0.10000E+01 volume  0.62183E-03 ppm1      8.883 ppm2      6.096 CV     1
 ASSI {  584}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.200     1.200 peak   584 weight  0.10000E+01 volume  0.12451E-02 ppm1      8.884 ppm2      4.295 CV     1
 ASSI {  585}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   585 weight  0.10000E+01 volume  0.33617E-02 ppm1      8.884 ppm2      3.693 CV     1
 ASSI {  586}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak   586 weight  0.10000E+01 volume  0.20073E-02 ppm1      8.884 ppm2      3.296 CV     1
 ASSI {  594}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.600     2.600     1.400 peak   594 weight  0.10000E+01 volume  0.32989E-04 ppm1      8.894 ppm2      7.051 CV     1
 ASSI {  595}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.700     4.100     0.300 peak   595 weight  0.10000E+01 volume  0.10972E-03 ppm1      8.886 ppm2      9.381 CV     1
 ASSI {  602}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD% )
      5.300     3.500     0.700 peak   602 weight  0.10000E+01 volume  0.19261E-03 ppm1      9.366 ppm2      7.028 CV     1
 ASSI {  605}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak   605 weight  0.10000E+01 volume  0.17456E-02 ppm1      9.356 ppm2      4.172 CV     1
 ASSI {  606}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak   606 weight  0.10000E+01 volume  0.17476E-02 ppm1      9.356 ppm2      3.273 CV     1
 ASSI {  607}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      2.700     0.900     0.900 peak   607 weight  0.10000E+01 volume  0.14444E-02 ppm1      9.356 ppm2      1.728 CV     1
 ASSI {  623}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.100     1.200     1.200 peak   623 weight  0.10000E+01 volume  0.22979E-02 ppm1      8.618 ppm2      2.251 CV     1
 ASSI {  625}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 52   and name HG12))
      4.000     2.000     2.000 peak   625 weight  0.10000E+01 volume  0.56366E-03 ppm1      8.619 ppm2      0.895 CV     1
 ASSI {  629}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      5.200     3.400     0.800 peak   629 weight  0.10000E+01 volume  0.57170E-04 ppm1      8.294 ppm2      4.366 CV     1
 ASSI {  633}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.600     0.000 peak   633 weight  0.10000E+01 volume  0.43656E-04 ppm1      8.975 ppm2      9.594 CV     1
 ASSI {  636}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD% )
      2.400     0.700     0.700 peak   636 weight  0.10000E+01 volume  0.26054E-02 ppm1      8.971 ppm2      6.918 CV     1
 ASSI {  637}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      4.100     2.100     1.900 peak   637 weight  0.10000E+01 volume  0.14225E-02 ppm1      8.972 ppm2      6.781 CV     1
 ASSI {  638}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak   638 weight  0.10000E+01 volume  0.12609E-02 ppm1      8.973 ppm2      5.446 CV     1
 ASSI {  639}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.000     0.500     0.500 peak   639 weight  0.10000E+01 volume  0.57572E-02 ppm1      8.972 ppm2      4.105 CV     1
 ASSI {  643}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.100     1.100 peak   643 weight  0.10000E+01 volume  0.95978E-03 ppm1      8.970 ppm2      8.020 CV     1
 ASSI {  649}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     2.600     3.400 peak   649 weight  0.10000E+01 volume  0.94686E-03 ppm1      8.969 ppm2      0.826 CV     1
 ASSI {  651}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.500     2.600     1.500 peak   651 weight  0.10000E+01 volume  0.22840E-03 ppm1      8.613 ppm2      8.437 CV     1
 ASSI {  653}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.200     1.300     1.300 peak   653 weight  0.10000E+01 volume  0.12214E-02 ppm1      8.292 ppm2      4.529 CV     1
 ASSI {  666}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.800     4.200     0.200 peak   666 weight  0.10000E+01 volume  0.56372E-04 ppm1      8.420 ppm2      7.985 CV     1
 ASSI {  668}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.100     2.100     3.900 peak   668 weight  0.10000E+01 volume  0.31434E-02 ppm1      8.421 ppm2      4.554 CV     1
 ASSI {  672}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   672 weight  0.10000E+01 volume  0.35512E-02 ppm1      8.420 ppm2      1.980 CV     1
 ASSI {  677}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.500     1.500 peak   677 weight  0.10000E+01 volume  0.28313E-03 ppm1      9.454 ppm2      5.250 CV     1
 ASSI {  695}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   695 weight  0.10000E+01 volume  0.37986E-02 ppm1      8.396 ppm2      4.694 CV     1
 ASSI {  707}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     6.000     0.000 peak   707 weight  0.10000E+01 volume  0.11006E-04 ppm1      8.886 ppm2      2.548 CV     1
 ASSI {  712}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   712 weight  0.10000E+01 volume  0.11654E-02 ppm1      8.884 ppm2      8.138 CV     1
 ASSI {  714}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   714 weight  0.10000E+01 volume  0.45885E-03 ppm1      8.880 ppm2      6.645 CV     1
 ASSI {  715}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HD2 ))
      3.100     1.200     1.200 peak   715 weight  0.10000E+01 volume  0.13318E-02 ppm1      8.883 ppm2      6.030 CV     1
 ASSI {  717}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   717 weight  0.10000E+01 volume  0.27705E-02 ppm1      8.884 ppm2      3.864 CV     1
 ASSI {  718}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak   718 weight  0.10000E+01 volume  0.48956E-02 ppm1      8.885 ppm2      3.111 CV     1
 ASSI {  721}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   721 weight  0.10000E+01 volume  0.25124E-02 ppm1      8.254 ppm2      4.560 CV     1
 ASSI {  722}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.300     1.300     1.300 peak   722 weight  0.10000E+01 volume  0.13927E-02 ppm1      8.254 ppm2      3.018 CV     1
 ASSI {  725}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 51   and name HG  ))
      4.600     2.600     1.400 peak   725 weight  0.10000E+01 volume  0.34309E-04 ppm1      7.540 ppm2      1.627 CV     1
 ASSI {  737}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.400     1.400 peak   737 weight  0.10000E+01 volume  0.97092E-03 ppm1      8.223 ppm2      8.620 CV     1
 ASSI {  738}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.300     1.300 peak   738 weight  0.10000E+01 volume  0.10601E-02 ppm1      8.225 ppm2      8.429 CV     1
 ASSI {  741}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   741 weight  0.10000E+01 volume  0.43437E-02 ppm1      8.224 ppm2      4.089 CV     1
 ASSI {  744}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HG12))
      2.300     0.700     0.700 peak   744 weight  0.10000E+01 volume  0.74456E-02 ppm1      8.224 ppm2      0.908 CV     1
 ASSI {  749}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     2.700     3.300 peak   749 weight  0.10000E+01 volume  0.79273E-03 ppm1      7.531 ppm2      8.575 CV     1
 ASSI {  751}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   751 weight  0.10000E+01 volume  0.45319E-02 ppm1      7.531 ppm2      7.337 CV     1
 ASSI {  754}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   754 weight  0.10000E+01 volume  0.22401E-02 ppm1      7.533 ppm2      3.937 CV     1
 ASSI {  755}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.700     2.700     3.300 peak   755 weight  0.10000E+01 volume  0.40256E-02 ppm1      7.531 ppm2      2.221 CV     1
 ASSI {  756}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.400     0.700     0.700 peak   756 weight  0.10000E+01 volume  0.71094E-02 ppm1      7.531 ppm2      1.913 CV     1
 ASSI {  758}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak   758 weight  0.10000E+01 volume  0.85557E-03 ppm1      7.528 ppm2      8.477 CV     1
 ASSI {  770}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.600     2.600     1.400 peak   770 weight  0.10000E+01 volume  0.34073E-04 ppm1      8.225 ppm2      4.471 CV     1
 ASSI {  791}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   791 weight  0.10000E+01 volume  0.78301E-03 ppm1      9.045 ppm2      5.169 CV     1
 ASSI {  796}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.600     1.500 peak   796 weight  0.10000E+01 volume  0.36145E-04 ppm1      9.489 ppm2      8.912 CV     1
 ASSI {  801}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   801 weight  0.10000E+01 volume  0.27837E-02 ppm1      9.045 ppm2      8.497 CV     1
 ASSI {  802}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HD1 ))
      3.300     1.400     1.400 peak   802 weight  0.10000E+01 volume  0.98324E-03 ppm1      9.045 ppm2      7.446 CV     1
 ASSI {  803}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.900     0.900 peak   803 weight  0.10000E+01 volume  0.27240E-02 ppm1      9.045 ppm2      4.806 CV     1
 ASSI {  805}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.600     0.900     0.900 peak   805 weight  0.10000E+01 volume  0.28697E-02 ppm1      9.044 ppm2      3.110 CV     1
 ASSI {  815}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      4.500     2.500     1.500 peak   815 weight  0.10000E+01 volume  0.23568E-03 ppm1      8.187 ppm2      4.365 CV     1
 ASSI {  816}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.600     0.600 peak   816 weight  0.10000E+01 volume  0.66761E-02 ppm1      8.181 ppm2      4.150 CV     1
 ASSI {  826}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   826 weight  0.10000E+01 volume  0.25329E-02 ppm1      8.044 ppm2      8.375 CV     1
 ASSI {  829}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.300     2.300     3.700 peak   829 weight  0.10000E+01 volume  0.90825E-02 ppm1      8.044 ppm2      4.364 CV     1
 ASSI {  830}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   830 weight  0.10000E+01 volume  0.29799E-02 ppm1      8.043 ppm2      4.100 CV     1
 ASSI {  832}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.800     0.800 peak   832 weight  0.10000E+01 volume  0.35133E-02 ppm1      8.044 ppm2      1.832 CV     1
 ASSI {  841}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.700     2.800     1.300 peak   841 weight  0.10000E+01 volume  0.18714E-03 ppm1      9.499 ppm2      3.855 CV     1
 ASSI {  842}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.100     3.100     2.900 peak   842 weight  0.10000E+01 volume  0.19708E-02 ppm1      9.499 ppm2      1.813 CV     1
 ASSI {  843}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     6.000     0.000 peak   843 weight  0.10000E+01 volume  0.10523E-04 ppm1      9.497 ppm2      7.843 CV     1
 ASSI {  845}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 32   and name HD2 ))
      2.800     2.800     3.200 peak   845 weight  0.10000E+01 volume  0.49171E-02 ppm1      9.496 ppm2      6.028 CV     1
 ASSI {  846}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   846 weight  0.10000E+01 volume  0.10540E-02 ppm1      9.498 ppm2      4.726 CV     1
 ASSI {  848}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.000     2.000     2.000 peak   848 weight  0.10000E+01 volume  0.14049E-02 ppm1      9.497 ppm2      3.066 CV     1
 ASSI {  849}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      3.000     3.000     3.000 peak   849 weight  0.10000E+01 volume  0.23821E-02 ppm1      9.498 ppm2      1.988 CV     1
 ASSI {  858}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.500     1.500 peak   858 weight  0.10000E+01 volume  0.73381E-03 ppm1      8.491 ppm2      8.183 CV     1
 ASSI {  860}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      5.200     3.400     0.800 peak   860 weight  0.10000E+01 volume  0.16934E-03 ppm1      8.491 ppm2      4.587 CV     1
 ASSI {  861}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak   861 weight  0.10000E+01 volume  0.41796E-02 ppm1      8.491 ppm2      4.372 CV     1
 ASSI {  862}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   862 weight  0.10000E+01 volume  0.11348E-02 ppm1      8.490 ppm2      4.162 CV     1
 ASSI {  871}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   871 weight  0.10000E+01 volume  0.37535E-03 ppm1      8.721 ppm2      8.526 CV     1
 ASSI {  887}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   887 weight  0.10000E+01 volume  0.10773E-02 ppm1      8.549 ppm2      8.901 CV     1
 ASSI {  889}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      5.800     4.200     0.200 peak   889 weight  0.10000E+01 volume  0.68298E-04 ppm1      8.550 ppm2      7.058 CV     1
 ASSI {  890}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   890 weight  0.10000E+01 volume  0.71898E-02 ppm1      8.547 ppm2      4.477 CV     1
 ASSI {  891}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.400     0.700     0.700 peak   891 weight  0.10000E+01 volume  0.56480E-02 ppm1      8.547 ppm2      2.715 CV     1
 ASSI {  893}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak   893 weight  0.10000E+01 volume  0.95164E-03 ppm1      8.547 ppm2      1.988 CV     1
 ASSI {  915}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   915 weight  0.10000E+01 volume  0.15763E-02 ppm1      8.714 ppm2      4.792 CV     1
 ASSI {  927}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   927 weight  0.10000E+01 volume  0.10555E-03 ppm1      7.786 ppm2      8.893 CV     1
 ASSI {  929}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak   929 weight  0.10000E+01 volume  0.36330E-02 ppm1      7.778 ppm2      8.268 CV     1
 ASSI {  931}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      3.500     1.500     1.500 peak   931 weight  0.10000E+01 volume  0.23618E-02 ppm1      7.781 ppm2      6.805 CV     1
 ASSI {  933}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   933 weight  0.10000E+01 volume  0.24935E-02 ppm1      7.779 ppm2      4.523 CV     1
 ASSI {  934}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA1 ))
      3.100     1.200     1.200 peak   934 weight  0.10000E+01 volume  0.18504E-02 ppm1      7.778 ppm2      3.676 CV     1
 ASSI {  936}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      3.300     1.400     1.400 peak   936 weight  0.10000E+01 volume  0.31377E-02 ppm1      7.777 ppm2      1.467 CV     1
 ASSI {  937}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.100     1.100 peak   937 weight  0.10000E+01 volume  0.13024E-02 ppm1      7.775 ppm2      9.604 CV     1
 ASSI {  938}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     5.900     0.000 peak   938 weight  0.10000E+01 volume  0.36421E-04 ppm1      7.775 ppm2      5.453 CV     1
 ASSI {  950}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   950 weight  0.10000E+01 volume  0.10050E-02 ppm1      7.847 ppm2      9.009 CV     1
 ASSI {  953}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak   953 weight  0.10000E+01 volume  0.42007E-03 ppm1      7.847 ppm2      4.817 CV     1
 ASSI {  954}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   954 weight  0.10000E+01 volume  0.21701E-02 ppm1      7.846 ppm2      4.449 CV     1
 ASSI {  955}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   955 weight  0.10000E+01 volume  0.23643E-02 ppm1      7.846 ppm2      4.300 CV     1
 ASSI {  958}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.200     0.600     0.600 peak   958 weight  0.10000E+01 volume  0.45297E-02 ppm1      7.847 ppm2      1.885 CV     1
 ASSI {  960}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.300     2.300     1.700 peak   960 weight  0.10000E+01 volume  0.28817E-03 ppm1      7.840 ppm2      2.990 CV     1
 ASSI {  963}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     6.000     0.000 peak   963 weight  0.10000E+01 volume  0.10574E-04 ppm1      9.386 ppm2      7.654 CV     1
 ASSI {  966}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.400     1.400 peak   966 weight  0.10000E+01 volume  0.65012E-03 ppm1      9.389 ppm2      4.809 CV     1
 ASSI {  967}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.900     3.000     1.100 peak   967 weight  0.10000E+01 volume  0.15058E-03 ppm1      9.390 ppm2      3.692 CV     1
 ASSI {  970}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      2.800     1.000     1.000 peak   970 weight  0.10000E+01 volume  0.14829E-02 ppm1      9.392 ppm2      1.734 CV     1
 ASSI {  972}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   972 weight  0.10000E+01 volume  0.29894E-02 ppm1      9.386 ppm2      6.091 CV     1
 ASSI {  983}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     5.700     0.000 peak   983 weight  0.10000E+01 volume  0.35467E-04 ppm1      9.384 ppm2      8.646 CV     1
 ASSI {  998}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.500     2.500     3.500 peak   998 weight  0.10000E+01 volume  0.43502E-02 ppm1      8.429 ppm2      4.085 CV     1
 ASSI {  999}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.000     1.200     1.200 peak   999 weight  0.10000E+01 volume  0.29589E-02 ppm1      8.429 ppm2      3.832 CV     1
 OR {  999}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG  ))
 ASSI { 1001}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HG12))
      3.700     1.700     1.700 peak  1001 weight  0.10000E+01 volume  0.11710E-02 ppm1      8.428 ppm2      0.902 CV     1
 ASSI { 1006}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak  1006 weight  0.10000E+01 volume  0.25786E-02 ppm1      8.208 ppm2      4.291 CV     1
 ASSI { 1008}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak  1008 weight  0.10000E+01 volume  0.63214E-03 ppm1      8.205 ppm2      8.619 CV     1
 ASSI { 1011}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.800     1.000     1.000 peak  1011 weight  0.10000E+01 volume  0.43040E-02 ppm1      8.206 ppm2      3.896 CV     1
 ASSI { 1012}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak  1012 weight  0.10000E+01 volume  0.23510E-02 ppm1      8.207 ppm2      2.271 CV     1
 ASSI { 1013}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak  1013 weight  0.10000E+01 volume  0.28340E-02 ppm1      8.207 ppm2      1.915 CV     1
 ASSI { 1018}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak  1018 weight  0.10000E+01 volume  0.19663E-02 ppm1      7.906 ppm2      8.325 CV     1
 ASSI { 1020}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.300     1.300 peak  1020 weight  0.10000E+01 volume  0.11177E-02 ppm1      7.905 ppm2      4.576 CV     1
 ASSI { 1043}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.900     1.900     1.900 peak  1043 weight  0.10000E+01 volume  0.61553E-03 ppm1      8.600 ppm2      1.160 CV     1
 ASSI { 1044}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
      4.900     3.000     1.100 peak  1044 weight  0.10000E+01 volume  0.31326E-03 ppm1      8.601 ppm2      0.815 CV     1
 ASSI { 1045}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 29   and name HE% )
      5.600     4.000     0.400 peak  1045 weight  0.10000E+01 volume  0.10958E-04 ppm1      8.595 ppm2      7.032 CV     1
 ASSI { 1046}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.200     1.300     1.300 peak  1046 weight  0.10000E+01 volume  0.16813E-02 ppm1      8.598 ppm2      1.776 CV     1
 ASSI { 1049}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      6.000     6.000     0.000 peak  1049 weight  0.10000E+01 volume  0.11040E-04 ppm1      8.591 ppm2      4.242 CV     1
 ASSI { 1054}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.200     1.200 peak  1054 weight  0.10000E+01 volume  0.13857E-02 ppm1      8.597 ppm2      3.941 CV     1
 ASSI { 1066}
   (( segid "    " and resid 77   and name HD22))
   (( segid "    " and resid 77   and name HN  ))
      6.000     6.000     0.000 peak  1066 weight  0.10000E+01 volume  0.10668E-04 ppm1      7.956 ppm2      8.386 CV     1
 ASSI { 1070}
   (( segid "    " and resid 77   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
      5.300     3.500     0.700 peak  1070 weight  0.10000E+01 volume  0.25046E-03 ppm1      7.863 ppm2      4.299 CV     1
 ASSI { 1081}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1081 weight  0.10000E+01 volume  0.36319E-02 ppm1      8.217 ppm2      4.245 CV     1
 ASSI { 1082}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak  1082 weight  0.10000E+01 volume  0.56974E-02 ppm1      8.216 ppm2      1.614 CV     1
 ASSI { 1084}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      2.800     1.000     1.000 peak  1084 weight  0.10000E+01 volume  0.19351E-02 ppm1      8.217 ppm2      0.770 CV     1
 ASSI { 1085}
   (( segid "    " and resid 77   and name HD22))
   (( segid "    " and resid 61   and name HD1 ))
      3.600     3.600     2.400 peak  1085 weight  0.10000E+01 volume  0.13434E-03 ppm1      7.954 ppm2      7.068 CV     1
 ASSI { 1086}
   (( segid "    " and resid 77   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.800     1.300 peak  1086 weight  0.10000E+01 volume  0.40678E-03 ppm1      7.957 ppm2      4.279 CV     1
 ASSI { 1091}
   (( segid "    " and resid 77   and name HD21))
   (( segid "    " and resid 61   and name HD1 ))
      5.400     3.700     0.600 peak  1091 weight  0.10000E+01 volume  0.12034E-04 ppm1      7.866 ppm2      7.063 CV     1
 ASSI { 1108}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 16   and name HA1 ))
      5.500     3.800     0.500 peak  1108 weight  0.10000E+01 volume  0.10771E-04 ppm1      8.138 ppm2      3.847 CV     1
 ASSI { 1109}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.700     4.000     0.300 peak  1109 weight  0.10000E+01 volume  0.33937E-04 ppm1      8.140 ppm2      3.116 CV     1
 ASSI { 1115}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1115 weight  0.10000E+01 volume  0.11008E-02 ppm1      7.358 ppm2      6.456 CV     1
 ASSI { 1141}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 32   and name HD2 ))
      3.400     3.400     2.600 peak  1141 weight  0.10000E+01 volume  0.11751E-02 ppm1      7.856 ppm2      6.030 CV     1
 ASSI { 1143}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     0.900     0.900 peak  1143 weight  0.10000E+01 volume  0.19872E-02 ppm1      7.852 ppm2      8.899 CV     1
 ASSI { 1145}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.100     1.200     1.200 peak  1145 weight  0.10000E+01 volume  0.18092E-02 ppm1      7.852 ppm2      7.065 CV     1
 ASSI { 1146}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA2 ))
      3.900     1.900     1.900 peak  1146 weight  0.10000E+01 volume  0.33367E-03 ppm1      7.851 ppm2      4.239 CV     1
 ASSI { 1153}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.200     1.300     1.300 peak  1153 weight  0.10000E+01 volume  0.11980E-02 ppm1      7.661 ppm2      9.121 CV     1
 ASSI { 1154}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      3.100     1.200     1.200 peak  1154 weight  0.10000E+01 volume  0.14719E-02 ppm1      7.663 ppm2      7.069 CV     1
 ASSI { 1155}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak  1155 weight  0.10000E+01 volume  0.73707E-03 ppm1      7.663 ppm2      6.096 CV     1
 ASSI { 1159}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     3.300     2.700 peak  1159 weight  0.10000E+01 volume  0.24985E-03 ppm1      7.663 ppm2      1.794 CV     1
 ASSI { 1164}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.300     1.300 peak  1164 weight  0.10000E+01 volume  0.16091E-02 ppm1      7.661 ppm2      4.244 CV     1
 ASSI { 1165}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA1 ))
      6.000     6.000     0.000 peak  1165 weight  0.10000E+01 volume  0.39065E-04 ppm1      7.662 ppm2      3.678 CV     1
 ASSI { 1166}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1166 weight  0.10000E+01 volume  0.22360E-02 ppm1      7.656 ppm2      4.456 CV     1
 ASSI { 1169}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1169 weight  0.10000E+01 volume  0.14357E-02 ppm1      7.657 ppm2      8.268 CV     1
 ASSI { 1170}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      4.300     2.300     1.700 peak  1170 weight  0.10000E+01 volume  0.10220E-02 ppm1      7.655 ppm2      6.812 CV     1
 ASSI { 1173}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      1.900     1.900     4.100 peak  1173 weight  0.10000E+01 volume  0.67402E-02 ppm1      7.657 ppm2      1.440 CV     1
 ASSI { 1186}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     5.300     0.000 peak  1186 weight  0.10000E+01 volume  0.97586E-04 ppm1      7.311 ppm2      6.452 CV     1
 ASSI { 1191}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      6.000     4.500     0.000 peak  1191 weight  0.10000E+01 volume  0.60206E-04 ppm1      7.323 ppm2      4.147 CV     1
 ASSI { 1192}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.400     1.400     1.400 peak  1192 weight  0.10000E+01 volume  0.19760E-02 ppm1      7.316 ppm2      2.288 CV     1
 ASSI { 1213}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak  1213 weight  0.10000E+01 volume  0.21825E-02 ppm1      8.028 ppm2      4.778 CV     1
 ASSI { 1214}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.800     1.000     1.000 peak  1214 weight  0.10000E+01 volume  0.23956E-02 ppm1      8.030 ppm2      1.622 CV     1
 ASSI { 1216}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      3.200     1.300     1.300 peak  1216 weight  0.10000E+01 volume  0.54742E-02 ppm1      8.026 ppm2      0.911 CV     1
 ASSI { 1222}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HD1 ))
      5.700     4.100     0.300 peak  1222 weight  0.10000E+01 volume  0.11249E-03 ppm1      8.502 ppm2      7.447 CV     1
 ASSI { 1224}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  1224 weight  0.10000E+01 volume  0.12500E-02 ppm1      8.503 ppm2      4.811 CV     1
 ASSI { 1225}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak  1225 weight  0.10000E+01 volume  0.10887E-02 ppm1      8.501 ppm2      4.125 CV     1
 ASSI { 1226}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.300     1.400     1.400 peak  1226 weight  0.10000E+01 volume  0.19275E-02 ppm1      8.502 ppm2      3.108 CV     1
 ASSI { 1234}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.600     1.700     1.700 peak  1234 weight  0.10000E+01 volume  0.23347E-03 ppm1      8.502 ppm2      5.168 CV     1
 ASSI { 1255}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.800     1.800     1.800 peak  1255 weight  0.10000E+01 volume  0.12959E-02 ppm1      9.161 ppm2      2.927 CV     1
 ASSI { 1256}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.400     2.500     1.600 peak  1256 weight  0.10000E+01 volume  0.49673E-03 ppm1      9.148 ppm2      9.349 CV     1
 ASSI { 1261}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 83   and name HD% )
      5.500     3.700     0.500 peak  1261 weight  0.10000E+01 volume  0.16025E-03 ppm1      9.168 ppm2      7.694 CV     1
 ASSI { 1264}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HE% )
      4.300     2.400     1.700 peak  1264 weight  0.10000E+01 volume  0.10552E-02 ppm1      9.155 ppm2      6.755 CV     1
 ASSI { 1265}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.000     1.000 peak  1265 weight  0.10000E+01 volume  0.20304E-02 ppm1      9.155 ppm2      5.109 CV     1
 ASSI { 1266}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak  1266 weight  0.10000E+01 volume  0.28952E-02 ppm1      9.158 ppm2      4.735 CV     1
 ASSI { 1267}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      5.400     3.700     0.600 peak  1267 weight  0.10000E+01 volume  0.24364E-03 ppm1      9.155 ppm2      4.141 CV     1
 ASSI { 1270}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      6.000     5.900     0.000 peak  1270 weight  0.10000E+01 volume  0.35057E-04 ppm1      9.148 ppm2      5.451 CV     1
 ASSI { 1271}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.400     0.700     0.700 peak  1271 weight  0.10000E+01 volume  0.22391E-02 ppm1      9.152 ppm2      3.276 CV     1
 ASSI { 1273}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     6.000     0.000 peak  1273 weight  0.10000E+01 volume  0.11905E-04 ppm1      9.116 ppm2      4.708 CV     1
 ASSI { 1276}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HE% )
      3.500     1.600     1.600 peak  1276 weight  0.10000E+01 volume  0.26982E-02 ppm1      9.088 ppm2      7.027 CV     1
 ASSI { 1277}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      2.600     0.800     0.800 peak  1277 weight  0.10000E+01 volume  0.25278E-02 ppm1      9.090 ppm2      6.700 CV     1
 ASSI { 1310}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak  1310 weight  0.10000E+01 volume  0.23065E-02 ppm1      8.394 ppm2      8.886 CV     1
 ASSI { 1312}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HD21))
      2.300     0.700     0.700 peak  1312 weight  0.10000E+01 volume  0.41283E-02 ppm1      8.393 ppm2      7.883 CV     1
 ASSI { 1313}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak  1313 weight  0.10000E+01 volume  0.10346E-02 ppm1      8.395 ppm2      7.344 CV     1
 ASSI { 1314}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1314 weight  0.10000E+01 volume  0.25176E-02 ppm1      8.394 ppm2      6.458 CV     1
 ASSI { 1315}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak  1315 weight  0.10000E+01 volume  0.38501E-02 ppm1      8.394 ppm2      4.322 CV     1
 ASSI { 1316}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak  1316 weight  0.10000E+01 volume  0.94751E-03 ppm1      8.393 ppm2      3.693 CV     1
 ASSI { 1340}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.200     1.200 peak  1340 weight  0.10000E+01 volume  0.10421E-02 ppm1      8.053 ppm2      5.445 CV     1
 ASSI { 1342}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD% )
      2.700     0.900     0.900 peak  1342 weight  0.10000E+01 volume  0.30342E-02 ppm1      8.048 ppm2      6.786 CV     1
 ASSI { 1343}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.600     0.600 peak  1343 weight  0.10000E+01 volume  0.47532E-02 ppm1      8.048 ppm2      4.224 CV     1
 ASSI { 1345}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak  1345 weight  0.10000E+01 volume  0.45994E-02 ppm1      8.048 ppm2      2.643 CV     1
 ASSI { 1347}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      5.800     4.200     0.200 peak  1347 weight  0.10000E+01 volume  0.12108E-03 ppm1      8.044 ppm2      9.587 CV     1
 ASSI { 1355}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.300     0.700     0.700 peak  1355 weight  0.10000E+01 volume  0.37446E-02 ppm1      9.153 ppm2      5.447 CV     1
 ASSI { 1357}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      5.100     3.300     0.900 peak  1357 weight  0.10000E+01 volume  0.52192E-04 ppm1      9.153 ppm2      4.450 CV     1
 ASSI { 1360}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      3.600     1.600     1.600 peak  1360 weight  0.10000E+01 volume  0.16055E-02 ppm1      9.152 ppm2      4.132 CV     1
 ASSI { 1374}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.400     3.700     0.600 peak  1374 weight  0.10000E+01 volume  0.70144E-04 ppm1      9.597 ppm2      8.278 CV     1
 ASSI { 1377}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HE  ))
      3.400     3.400     2.600 peak  1377 weight  0.10000E+01 volume  0.19740E-02 ppm1      9.597 ppm2      6.776 CV     1
 ASSI { 1378}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.100     0.600     0.600 peak  1378 weight  0.10000E+01 volume  0.56665E-02 ppm1      9.597 ppm2      5.448 CV     1
 ASSI { 1380}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.000     1.000 peak  1380 weight  0.10000E+01 volume  0.16400E-02 ppm1      9.597 ppm2      4.599 CV     1
 ASSI { 1381}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak  1381 weight  0.10000E+01 volume  0.25501E-02 ppm1      9.597 ppm2      2.660 CV     1
 ASSI { 1385}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1385 weight  0.10000E+01 volume  0.58452E-03 ppm1      9.595 ppm2      4.111 CV     1
 ASSI { 1388}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 72   and name HZ  ))
      6.000     6.000     0.000 peak  1388 weight  0.10000E+01 volume  0.10952E-04 ppm1      9.598 ppm2      7.112 CV     1
 ASSI { 1425}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak  1425 weight  0.10000E+01 volume  0.24645E-02 ppm1      6.624 ppm2      4.570 CV     1
 ASSI { 1428}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak  1428 weight  0.10000E+01 volume  0.26640E-02 ppm1      6.617 ppm2      8.135 CV     1
 ASSI { 1429}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      1.800     0.400     0.400 peak  1429 weight  0.10000E+01 volume  0.48445E-02 ppm1      6.622 ppm2      7.349 CV     1
 ASSI { 1458}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA2 ))
      2.700     0.900     0.900 peak  1458 weight  0.10000E+01 volume  0.35786E-02 ppm1      9.122 ppm2      4.493 CV     1
 ASSI { 1459}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA1 ))
      2.700     0.900     0.900 peak  1459 weight  0.10000E+01 volume  0.26339E-02 ppm1      9.122 ppm2      4.263 CV     1
 ASSI { 1461}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     2.600     3.400 peak  1461 weight  0.10000E+01 volume  0.95669E-03 ppm1      9.123 ppm2      2.409 CV     1
 ASSI { 1524}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA2 ))
      3.000     1.100     1.100 peak  1524 weight  0.10000E+01 volume  0.19688E-02 ppm1      8.905 ppm2      4.244 CV     1
 ASSI { 1525}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      6.000     6.000     0.000 peak  1525 weight  0.10000E+01 volume  0.32717E-04 ppm1      8.896 ppm2      7.080 CV     1
 ASSI { 1543}
   (( segid "    " and resid 87   and name HE  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.600     0.800     0.800 peak  1543 weight  0.10000E+01 volume  0.30024E-02 ppm1      9.206 ppm2      2.745 CV     1
 ASSI { 1545}
   (( segid "    " and resid 87   and name HE  ))
   (( segid "    " and resid 87   and name HD2 ))
      3.300     1.400     1.400 peak  1545 weight  0.10000E+01 volume  0.71996E-03 ppm1      9.206 ppm2      0.812 CV     1
 ASSI { 1554}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      6.000     6.000     0.000 peak  1554 weight  0.10000E+01 volume  0.11072E-04 ppm1      8.360 ppm2      0.913 CV     1
 ASSI { 1557}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1557 weight  0.10000E+01 volume  0.55541E-02 ppm1      8.328 ppm2      7.870 CV     1
 ASSI { 1560}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.200     0.600     0.600 peak  1560 weight  0.10000E+01 volume  0.77709E-02 ppm1      8.328 ppm2      4.291 CV     1
 ASSI { 1561}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.900     1.100     1.100 peak  1561 weight  0.10000E+01 volume  0.31626E-02 ppm1      8.329 ppm2      2.997 CV     1
 ASSI { 1569}
   (( segid "    " and resid 87   and name HE  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.300     1.400     1.400 peak  1569 weight  0.10000E+01 volume  0.12205E-02 ppm1      9.183 ppm2      1.144 CV     1
 ASSI { 1570}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak  1570 weight  0.10000E+01 volume  0.26852E-02 ppm1      9.178 ppm2      5.550 CV     1
 ASSI { 1574}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.600     1.600     1.600 peak  1574 weight  0.10000E+01 volume  0.13733E-02 ppm1      8.327 ppm2      3.133 CV     1
 ASSI { 1590}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.200     1.200 peak  1590 weight  0.10000E+01 volume  0.11686E-02 ppm1      9.179 ppm2      4.816 CV     1
 ASSI { 1593}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      4.400     2.500     1.600 peak  1593 weight  0.10000E+01 volume  0.44457E-03 ppm1      9.177 ppm2      6.707 CV     1
 ASSI { 1657}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.400     1.500     1.500 peak  1657 weight  0.10000E+01 volume  0.10901E-02 ppm1      8.470 ppm2      2.223 CV     1
 ASSI { 1663}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.300     1.300 peak  1663 weight  0.10000E+01 volume  0.11880E-02 ppm1      8.470 ppm2      8.207 CV     1
 ASSI { 1665}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak  1665 weight  0.10000E+01 volume  0.62345E-02 ppm1      8.471 ppm2      4.259 CV     1
 ASSI { 1666}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.400     0.700     0.700 peak  1666 weight  0.10000E+01 volume  0.82901E-02 ppm1      8.470 ppm2      3.899 CV     1
 ASSI { 1667}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.900     2.900     3.100 peak  1667 weight  0.10000E+01 volume  0.36056E-02 ppm1      8.470 ppm2      1.982 CV     1
 ASSI { 1679}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.600     0.000 peak  1679 weight  0.10000E+01 volume  0.75700E-04 ppm1      8.130 ppm2      9.159 CV     1
 ASSI { 1680}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      5.200     3.400     0.800 peak  1680 weight  0.10000E+01 volume  0.12599E-03 ppm1      8.127 ppm2      7.320 CV     1
 ASSI { 1682}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak  1682 weight  0.10000E+01 volume  0.20736E-02 ppm1      8.126 ppm2      5.449 CV     1
 ASSI { 1683}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB  ))
      3.400     1.400     1.400 peak  1683 weight  0.10000E+01 volume  0.91601E-03 ppm1      8.125 ppm2      4.134 CV     1
 ASSI { 1689}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.100     0.600     0.600 peak  1689 weight  0.10000E+01 volume  0.53656E-02 ppm1      8.121 ppm2      4.862 CV     1
 ASSI { 1705}
   (( segid "    " and resid 43   and name HE  ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1705 weight  0.10000E+01 volume  0.90205E-03 ppm1      8.757 ppm2      8.604 CV     1
 ASSI { 1706}
   (( segid "    " and resid 43   and name HE  ))
   (( segid "    " and resid 61   and name HD1 ))
      6.000     4.600     0.000 peak  1706 weight  0.10000E+01 volume  0.44043E-04 ppm1      8.757 ppm2      7.074 CV     1
 ASSI { 1707}
   (( segid "    " and resid 43   and name HE  ))
   (( segid "    " and resid 43   and name HA  ))
      5.000     3.100     1.000 peak  1707 weight  0.10000E+01 volume  0.22526E-03 ppm1      8.758 ppm2      3.938 CV     1
 ASSI { 1708}
   (( segid "    " and resid 43   and name HE  ))
   (( segid "    " and resid 43   and name HD2 ))
      3.100     1.200     1.200 peak  1708 weight  0.10000E+01 volume  0.11862E-02 ppm1      8.756 ppm2      0.824 CV     1
 ASSI { 1712}
   (( segid "    " and resid 43   and name HE  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.100     1.200     1.200 peak  1712 weight  0.10000E+01 volume  0.16771E-02 ppm1      8.754 ppm2      1.786 CV     1
 ASSI { 1736}
   (( segid "    " and resid 43   and name HE  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.700     1.700     1.700 peak  1736 weight  0.10000E+01 volume  0.86230E-03 ppm1      8.753 ppm2      1.158 CV     1
 ASSI { 1749}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.700     0.700 peak  1749 weight  0.10000E+01 volume  0.68423E-02 ppm1      8.488 ppm2      4.352 CV     1
 ASSI { 1750}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA2 ))
      2.400     0.700     0.700 peak  1750 weight  0.10000E+01 volume  0.55497E-02 ppm1      8.488 ppm2      4.191 CV     1
 ASSI { 1752}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.200     3.200     2.800 peak  1752 weight  0.10000E+01 volume  0.19091E-02 ppm1      8.488 ppm2      3.590 CV     1
 ASSI { 1784}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak  1784 weight  0.10000E+01 volume  0.45457E-02 ppm1      8.082 ppm2      4.857 CV     1
 ASSI { 1785}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.400     0.700     0.700 peak  1785 weight  0.10000E+01 volume  0.61324E-02 ppm1      8.082 ppm2      4.217 CV     1
 ASSI { 1787}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.300     3.300     2.700 peak  1787 weight  0.10000E+01 volume  0.27962E-02 ppm1      8.081 ppm2      0.958 CV     1
 ASSI { 1794}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.100     1.100 peak  1794 weight  0.10000E+01 volume  0.14097E-02 ppm1      8.082 ppm2      5.553 CV     1
 ASSI { 1799}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     6.000     0.000 peak  1799 weight  0.10000E+01 volume  0.10972E-04 ppm1      8.087 ppm2      9.182 CV     1
 ASSI { 1804}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak  1804 weight  0.10000E+01 volume  0.28103E-02 ppm1      7.341 ppm2      4.269 CV     1
 ASSI { 1806}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak  1806 weight  0.10000E+01 volume  0.22953E-02 ppm1      7.339 ppm2      8.596 CV     1
 ASSI { 1815}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 51   and name HG  ))
      2.700     2.700     3.300 peak  1815 weight  0.10000E+01 volume  0.84818E-03 ppm1      7.341 ppm2      1.608 CV     1
 ASSI { 1816}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak  1816 weight  0.10000E+01 volume  0.17973E-02 ppm1      7.340 ppm2      3.942 CV     1
 ASSI { 1827}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  1827 weight  0.10000E+01 volume  0.27341E-02 ppm1      7.967 ppm2      8.215 CV     1
 ASSI { 1830}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA2 ))
      2.300     0.700     0.700 peak  1830 weight  0.10000E+01 volume  0.75732E-02 ppm1      7.966 ppm2      4.190 CV     1
 ASSI { 1831}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA1 ))
      2.600     0.800     0.800 peak  1831 weight  0.10000E+01 volume  0.41746E-02 ppm1      7.967 ppm2      3.897 CV     1
 ASSI { 1833}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     0.900     0.900 peak  1833 weight  0.10000E+01 volume  0.16566E-02 ppm1      7.969 ppm2      1.642 CV     1
 ASSI { 1835}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.600     2.700     1.400 peak  1835 weight  0.10000E+01 volume  0.18911E-03 ppm1      7.965 ppm2      2.701 CV     1
 ASSI { 1836}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.000     2.000     2.000 peak  1836 weight  0.10000E+01 volume  0.78632E-03 ppm1      7.966 ppm2      0.759 CV     1
 ASSI { 1842}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak  1842 weight  0.10000E+01 volume  0.84927E-03 ppm1      7.580 ppm2      7.341 CV     1
 ASSI { 1853}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
      5.300     3.500     0.700 peak  1853 weight  0.10000E+01 volume  0.27575E-03 ppm1      8.272 ppm2      6.808 CV     1
 ASSI { 1854}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     6.000     0.000 peak  1854 weight  0.10000E+01 volume  0.10824E-04 ppm1      8.271 ppm2      4.600 CV     1
 ASSI { 1855}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.900     0.900 peak  1855 weight  0.10000E+01 volume  0.34553E-02 ppm1      8.266 ppm2      4.251 CV     1
 ASSI { 1856}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA1 ))
      2.500     0.800     0.800 peak  1856 weight  0.10000E+01 volume  0.35574E-02 ppm1      8.268 ppm2      3.674 CV     1
 ASSI { 1858}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.500     1.500 peak  1858 weight  0.10000E+01 volume  0.73017E-03 ppm1      8.265 ppm2      4.441 CV     1
assi (resi 18  and name HN) (resi 30  and name HN) 2.80 0.40 0.40
assi (resi 18  and name HN) (resi 31  and name HA) 3.60 0.40 0.40
assi (resi 20  and name HN) (resi 28  and name HN) 2.80 0.40 0.40
assi (resi 20  and name HN) (resi 29  and name HA) 3.60 0.40 0.40
assi (resi 22  and name HN) (resi 26  and name HN) 2.80 0.40 0.40
assi (resi 22  and name HN) (resi 27  and name HA) 3.60 0.40 0.40
assi (resi 32  and name HN) (resi 17  and name HA) 3.60 0.40 0.40
assi (resi 30  and name HN) (resi 19  and name HA) 3.60 0.40 0.40
assi (resi 28  and name HN) (resi 21  and name HA) 3.60 0.40 0.40
assi (resi 29  and name HN) (resi 38  and name HN) 2.80 0.40 0.40
assi (resi 29  and name HN) (resi 39  and name HA) 3.60 0.40 0.40
assi (resi 31  and name HN) (resi 36  and name HN) 2.80 0.40 0.40
assi (resi 31  and name HN) (resi 37  and name HA) 3.60 0.40 0.40
assi (resi 36  and name HN) (resi 32  and name HA) 3.60 0.40 0.40
assi (resi 38  and name HN) (resi 30  and name HA) 3.60 0.40 0.40
assi (resi 62  and name HN) (resi 74  and name HN) 2.80 0.40 0.40
assi (resi 62  and name HN) (resi 75  and name HA) 3.60 0.40 0.40
assi (resi 64  and name HN) (resi 72  and name HN) 2.80 0.40 0.40
assi (resi 64  and name HN) (resi 73  and name HA) 3.60 0.40 0.40
assi (resi 66  and name HN) (resi 70  and name HN) 2.80 0.40 0.40
assi (resi 66  and name HN) (resi 71  and name HA) 3.60 0.40 0.40
assi (resi 76  and name HN) (resi 61  and name HA) 3.60 0.30 0.40
assi (resi 74  and name HN) (resi 63  and name HA) 3.60 0.40 0.40
assi (resi 72  and name HN) (resi 65  and name HA) 3.60 0.40 0.40
assi (resi 73  and name HN) (resi 82  and name HN) 2.80 0.40 0.40
assi (resi 73  and name HN) (resi 83  and name HA) 3.60 0.40 0.40
assi (resi 75  and name HN) (resi 80  and name HN) 2.80 0.40 0.40
assi (resi 75  and name HN) (resi 81  and name HA) 3.60 0.40 0.40
assi (resi 80  and name HN) (resi 76  and name HA) 3.60 0.40 0.40
assi (resi 82  and name HN) (resi 74  and name HA) 3.60 0.40 0.40
assi (resi 17  and name HA) (resi 31  and name HA) 2.00 0.30 1.00
assi (resi 19  and name HA) (resi 29  and name HA) 2.00 0.30 1.00
assi (resi 21  and name HA) (resi 27  and name HA) 2.00 0.30 1.00
assi (resi 32  and name HA) (resi 35  and name HA) 2.00 0.30 1.00
assi (resi 30  and name HA) (resi 37  and name HA) 2.00 0.30 1.00
assi (resi 28  and name HA) (resi 39  and name HA) 2.00 0.30 1.00
assi (resi 61  and name HA) (resi 75  and name HA) 2.00 0.30 1.00
assi (resi 63  and name HA) (resi 73  and name HA) 2.00 0.30 1.00
assi (resi 65  and name HA) (resi 71  and name HA) 2.00 0.30 1.00
assi (resi 76  and name HA) (resi 79  and name HA) 2.00 0.30 1.00
assi (resi 74  and name HA) (resi 81  and name HA) 2.00 0.30 1.00
assi (resi 72  and name HA) (resi 83  and name HA) 2.00 0.30 1.00
assi (resi 45  and name HN) (resi 43  and name HA) 4.00 0.50 0.50
assi (resi 48  and name HN) (resi 46  and name HA1) 4.00 0.50 1.50
assi (resi 48  and name HN) (resi 46  and name HA2) 4.00 0.50 1.50
assi (resi 51  and name HN) (resi 49  and name HA) 4.00 0.50 0.50
assi (resi 52  and name HN) (resi 50  and name HA) 4.00 0.50 0.50
assi (resi 53  and name HN) (resi 51  and name HA) 4.00 0.50 0.50
assi (resi 54  and name HN) (resi 52  and name HA) 5.50 0.50 1.50
assi (resi 55  and name HN) (resi 53  and name HA) 4.00 0.50 0.50
assi (resi 42  and name CB) (resi 17  and name CG)  5.00 2.0 3.0
assi (resi 42  and name CB) (resi 17  and name CD1) 5.00 2.0 3.0
assi (resi 42  and name CB) (resi 17  and name CD2) 5.00 2.0 3.0
assi (resi 42  and name CB) (resi 17  and name CE2) 5.00 2.0 3.0
assi (resi 42  and name CB) (resi 17  and name CE3) 5.00 2.0 3.0
assi (resi 42  and name CB) (resi 17  and name NE1) 5.00 2.0 3.0
assi (resi 42  and name CB) (resi 17  and name CH2) 3.60 0.4 0.4
assi (resi 42  and name CB) (resi 17  and name CZ2) 3.60 0.4 0.4
assi (resi 42  and name CB) (resi 17  and name CZ3) 5.00 2.0 3.0
assi (resi 42  and name CG) (resi 17  and name CG)  4.00 2.0 3.0
assi (resi 42  and name CG) (resi 17  and name CD1) 4.00 2.0 3.0
assi (resi 42  and name CG) (resi 17  and name CD2) 4.00 1.0 1.0
assi (resi 42  and name CG) (resi 17  and name CE2) 4.00 1.0 1.0
assi (resi 42  and name CG) (resi 17  and name CE3) 3.60 0.4 0.4
assi (resi 42  and name CG) (resi 17  and name NE1) 4.00 1.0 1.0
assi (resi 42  and name CG) (resi 17  and name CH2) 3.60 0.4 0.4
assi (resi 42  and name CG) (resi 17  and name CZ2) 3.60 0.4 0.4
assi (resi 42  and name CG) (resi 17  and name CZ3) 3.60 0.4 0.4
assi (resi 42  and name CD) (resi 29  and name CG)   3.60 0.4 0.4
assi (resi 42  and name CD) (resi 29  and name CZ)   4.10 0.4 0.4
assi (resi 42  and name CD) (resi 29  and name CD1)  3.60 0.4 0.4
assi (resi 42  and name CD) (resi 29  and name CD2)  3.60 0.4 0.4
assi (resi 42  and name CD) (resi 29  and name CE1)  4.10 0.4 0.4
assi (resi 42  and name CD) (resi 29  and name CE2)  4.10 0.4 0.4
assi (resi 86  and name CD) (resi 73  and name CG)   3.60 0.4 0.4
assi (resi 86  and name CD) (resi 73  and name CZ)   4.10 0.4 0.4
assi (resi 86  and name CD) (resi 73  and name CD1)  3.60 0.4 0.4
assi (resi 86  and name CD) (resi 73  and name CD2)  3.60 0.4 0.4
assi (resi 86  and name CD) (resi 73  and name CE1)  4.10 0.4 0.4
assi (resi 86  and name CD) (resi 73  and name CE2)  4.10 0.4 0.4
assi (resi 86  and name CB) (resi 61  and name CD1) 5.00 2.0 3.0
assi (resi 86  and name CB) (resi 61  and name CD2) 5.00 2.0 3.0
assi (resi 86  and name CB) (resi 61  and name CE2) 5.00 2.0 3.0
assi (resi 86  and name CB) (resi 61  and name CE3) 5.00 2.0 3.0
assi (resi 86  and name CB) (resi 61  and name NE1) 5.00 2.0 3.0
assi (resi 86  and name CB) (resi 61  and name CH2) 3.60 0.4 0.4
assi (resi 86  and name CB) (resi 61  and name CZ2) 3.60 0.4 0.4
assi (resi 86  and name CB) (resi 61  and name CZ3) 5.00 2.0 3.0
assi (resi 86  and name CG) (resi 61  and name CG)  4.00 1.0 1.0
assi (resi 86  and name CG) (resi 61  and name CD1) 4.00 1.0 1.0
assi (resi 86  and name CG) (resi 61  and name CD2) 4.00 1.0 1.0
assi (resi 86  and name CG) (resi 61  and name CE2) 4.00 1.0 1.0
assi (resi 86  and name CG) (resi 61  and name CE3) 3.60 0.4 0.4
assi (resi 86  and name CG) (resi 61  and name NE1) 4.00 1.0 1.0
assi (resi 86  and name CG) (resi 61  and name CH2) 3.60 0.4 0.4
assi (resi 86  and name CG) (resi 61  and name CZ2) 3.60 0.4 0.4
assi (resi 86  and name CG) (resi 61  and name CZ3) 3.60 0.4 0.4
assi (resi 16  and name N)  (resi 17  and name CD1) 5.00 2.0 2.0
assi (resi 60  and name N)  (resi 61  and name CD1) 5.00 2.0 2.0
assi (resi 17  and name CZ3) (resi 30  and name HN)  4.00 2.0 2.0
assi (resi 17  and name CZ3) (resi 31  and name HN)  4.00 2.0 2.0
assi (resi 61  and name CZ3) (resi 74  and name HN)  4.00 2.0 2.0
assi (resi 61  and name CZ3) (resi 75  and name HN)  4.00 2.0 2.0
assi (resi 41  and name HN)  (resi 29  and name HZ)  3.00 1.0 1.0
assi (resi 41  and name HN)  (resi 29  and name HE2) 4.00 1.0 2.0
assi (resi 39  and name HN)  (resi 39  and name HD1)  3.50 0.5 0.5
assi (resi 40  and name HN)  (resi 39  and name HD1)  4.50 0.5 1.0
assi (resi 55  and name HN)   (resi 52  and name CG2)  3.00 0.5 3.5
assi (resi 55  and name HN)   (resi 52  and name CD1)  3.00 0.5 3.5
assi (resi 54  and name HN)   (resi 52  and name CG2)  3.00 0.5 3.5
assi (resi 54  and name HN)   (resi 52  and name CD1)  3.00 0.5 3.5
assi (resi 53  and name HN)   (resi 52  and name CG2)  3.00 0.5 3.0
assi (resi 53  and name HN)   (resi 52  and name CD1)  3.00 0.5 3.0
assi (resi 55  and name HN)   (resi 87  and name NH1)  3.00 1.0 1.0
assi (resi 55  and name HN)   (resi 87  and name NH2)  3.00 1.0 1.0
assi (resi 55  and name HN)   (resi 87  and name CD1)  4.00 1.0 1.5
assi (resi 61  and name HN)   (resi 58  and name CB)   4.50 0.5 0.8
assi (resi 30  and name HN)   (resi 17  and name HE3)   2.0 0.5 0.5
assi (resi 30  and name HN)   (resi 17  and name HZ3)   3.5 0.5 0.5
assi (resi 31  and name HN)   (resi 17  and name HZ3)   3.5 0.5 0.5
assi (resi 31  and name HN)   (resi 17  and name HE3)   3.8 0.5 0.5
assi (resi 74  and name HN)   (resi 61  and name HE3)   2.0 0.5 0.5
assi (resi 74  and name HN)   (resi 61  and name HZ3)   3.5 0.5 0.5
assi (resi 75  and name HN)   (resi 61  and name HZ3)   3.5 0.5 0.5
assi (resi 75  and name HN)   (resi 61  and name HE3)   3.8 0.5 0.5
assi (resi 18  and name CB) (resi 30  and name HN) 4.00 0.40 0.40
assi (resi 18  and name HN) (resi 30  and name CB) 3.80 0.40 0.40
assi (resi 18  and name CB) (resi 30  and name CB) 3.80 0.40 0.40
assi (resi 20  and name CB) (resi 28  and name HN) 4.00 0.40 0.40
assi (resi 20  and name HN) (resi 28  and name CB) 4.00 0.30 0.30
assi (resi 20  and name CB) (resi 28  and name CB) 4.60 0.40 0.40
assi (resi 22  and name CB) (resi 26  and name HN) 4.00 0.40 0.40
assi (resi 22  and name HN) (resi 26  and name CB) 4.10 0.30 0.30
assi (resi 22  and name CB) (resi 26  and name CB) 4.60 0.40 0.40
assi (resi 36  and name CB) (resi 31  and name HN) 4.00 0.40 0.40
assi (resi 36  and name HN) (resi 31  and name CB) 4.00 0.30 0.30
assi (resi 36  and name CB) (resi 31  and name CB) 4.60 0.40 0.40
assi (resi 38  and name CB) (resi 29  and name HN) 4.00 0.40 0.40
assi (resi 38  and name HN) (resi 29  and name CB) 4.00 0.30 0.30
assi (resi 38  and name CB) (resi 29  and name CB) 4.60 0.40 0.40
assi (resi 62  and name CB) (resi 74  and name HN) 4.00 0.40 0.40
assi (resi 62  and name HN) (resi 74  and name CB) 3.80 0.40 0.40
assi (resi 62  and name CB) (resi 74  and name CB) 3.80 0.40 0.40
assi (resi 64  and name CB) (resi 72  and name HN) 4.00 0.40 0.40
assi (resi 64  and name HN) (resi 72  and name CB) 4.00 0.30 0.30
assi (resi 64  and name CB) (resi 72  and name CB) 4.60 0.40 0.40
assi (resi 66  and name CB) (resi 70  and name HN) 4.00 0.40 0.40
assi (resi 66  and name HN) (resi 70  and name CB) 4.10 0.30 0.30
assi (resi 66  and name CB) (resi 70  and name CB) 4.60 0.40 0.40
assi (resi 80  and name CB) (resi 75  and name HN) 4.00 0.40 0.40
assi (resi 80  and name HN) (resi 75  and name CB) 4.00 0.30 0.30
assi (resi 80  and name CB) (resi 75  and name CB) 4.60 0.40 0.40
assi (resi 82  and name CB) (resi 73  and name HN) 4.00 0.40 0.40
assi (resi 82  and name HN) (resi 73  and name CB) 4.00 0.30 0.30
assi (resi 82  and name CB) (resi 73  and name CB) 4.60 0.40 0.40
 ASSI {  214}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     6.000     0.000 peak   214 weight  0.10000E+01 volume  0.10611E-04 ppm1      8.016 ppm2      9.362 CV     1
 OR {  214}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  243}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HE  ))
      4.100     2.100     1.900 peak   243 weight  0.10000E+01 volume  0.81543E-03 ppm1      8.888 ppm2      6.788 CV     1
 OR {  243}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HE% )
 ASSI {  297}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      5.100     3.200     0.900 peak   297 weight  0.10000E+01 volume  0.71013E-04 ppm1      9.010 ppm2      1.886 CV     1
 OR {  297}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak   344 weight  0.10000E+01 volume  0.12901E-02 ppm1      8.453 ppm2      4.230 CV     1
 OR {  344}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  381}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   381 weight  0.10000E+01 volume  0.38033E-02 ppm1      8.350 ppm2      4.123 CV     1
 OR {  381}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  411}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.400     3.600     0.600 peak   411 weight  0.10000E+01 volume  0.10071E-03 ppm1      8.379 ppm2      9.366 CV     1
 OR {  411}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  499}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak   499 weight  0.10000E+01 volume  0.24033E-03 ppm1      8.654 ppm2      9.374 CV     1
 OR {  499}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  516}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak   516 weight  0.10000E+01 volume  0.10893E-03 ppm1      8.936 ppm2      9.148 CV     1
 OR {  516}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  620}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   620 weight  0.10000E+01 volume  0.32548E-02 ppm1      8.618 ppm2      8.214 CV     1
 OR {  620}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  621}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   621 weight  0.10000E+01 volume  0.63361E-02 ppm1      8.618 ppm2      4.288 CV     1
 OR {  621}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  642}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.000     3.100     1.000 peak   642 weight  0.10000E+01 volume  0.38615E-03 ppm1      8.968 ppm2      9.144 CV     1
 OR {  642}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  669}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak   669 weight  0.10000E+01 volume  0.70399E-02 ppm1      8.420 ppm2      4.352 CV     1
 OR {  669}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  742}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.600     2.600     3.400 peak   742 weight  0.10000E+01 volume  0.11761E-02 ppm1      8.225 ppm2      2.235 CV     1
 OR {  742}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
 ASSI {  753}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   753 weight  0.10000E+01 volume  0.76775E-02 ppm1      7.531 ppm2      4.264 CV     1
 OR {  753}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  856}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      5.400     3.600     0.600 peak   856 weight  0.10000E+01 volume  0.35850E-04 ppm1      8.751 ppm2      8.510 CV     1
 OR {  856}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  939}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     2.700     3.300 peak   939 weight  0.10000E+01 volume  0.13171E-02 ppm1      7.776 ppm2      4.252 CV     1
 OR {  939}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1198}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1198 weight  0.10000E+01 volume  0.77405E-03 ppm1      7.314 ppm2      4.861 CV     1
 OR { 1198}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 1288}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.400     2.400     1.600 peak  1288 weight  0.10000E+01 volume  0.23744E-03 ppm1      7.357 ppm2      2.594 CV     1
 OR { 1288}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1555}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      5.900     4.300     0.100 peak  1555 weight  0.10000E+01 volume  0.11213E-03 ppm1      8.333 ppm2      1.888 CV     1
 OR { 1555}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
assign (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.0  -90.0   20.00   2

assign (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.0  -150.0   20.00   2

assign (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.0  -90.0   20.00   2

assign (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.0  -105.0   20.00   2

assign (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.0  -85.0   20.00   2

assign (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.0  -80.0   20.00   2

assign (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.0  -60.0   20.00   2

assign (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.0  -90.0   20.00   2

assign (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.0  110.0   20.00   2

assign (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.0  -80.0   20.00   2

assign (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.0  -80.0   20.00   2

assign (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.0  -90.0   20.00   2

assign (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.0  -105.0   20.00   2

assign (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.0  -145.0   20.00   2

assign (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.0  -90.0   20.00   2

assign (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.0  -110.0   20.00   2

assign (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.0  -90.0   20.00   2

assign (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.0  -130.0   20.00   2

assign (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.0   40.0   20.00   2

assign (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.0  -150.0   20.00   2

assign (resid   36 and name C ) (resid   37 and name N )
       (resid   37 and name CA) (resid   37 and name C )  1.0  -100.0   20.00   2

assign (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.0  -160.0   20.00   2

assign (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.0  -70.0    20.00   2

assign (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.0  -90.0   20.00   2

assign (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.0  -150.0   20.00   2

assign (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.0  -90.0   20.00   2

assign (resid   63 and name C ) (resid   64 and name N )
       (resid   64 and name CA) (resid   64 and name C )  1.0  -105.0   20.00   2

assign (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.0  -85.0   20.00   2

assign (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.0  -80.0   20.00   2

assign (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.0  -60.0   20.00   2

assign (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.0  -90.0   20.00   2

assign (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.0  110.0   20.00   2

assign (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.0  -80.0   20.00   2

assign (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.0  -80.0   20.00   2

assign (resid   71 and name C ) (resid   72 and name N )
       (resid   72 and name CA) (resid   72 and name C )  1.0  -90.0   20.00   2

assign (resid   72 and name C ) (resid   73 and name N )
       (resid   73 and name CA) (resid   73 and name C )  1.0  -105.0   20.00   2

assign (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.0  -145.0   20.00   2

assign (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.0  -90.0   20.00   2

assign (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.0  -110.0   20.00   2

assign (resid   76 and name C ) (resid   77 and name N )
       (resid   77 and name CA) (resid   77 and name C )  1.0  -90.0   20.00   2

assign (resid   77 and name C ) (resid   78 and name N )
       (resid   78 and name CA) (resid   78 and name C )  1.0  -130.0   20.00   2

assign (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.0   40.0   20.00   2

assign (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.0  -150.0   20.00   2

assign (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.0  -100.0   20.00   2

assign (resid   81 and name C ) (resid   82 and name N )
       (resid   82 and name CA) (resid   82 and name C )  1.0  -160.0   20.00   2

assign (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.0  -70.0    20.00   2

assign (resid   17 and name N ) (resid   17 and name CA)
       (resid   17 and name C) (resid   18 and name N )  1.0   170    20.00   2

assign (resid   18 and name N ) (resid   18 and name CA)
       (resid   18 and name C) (resid   19 and name N )  1.0   140    202.00   2

assign (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name C) (resid   20 and name N )  1.0   110    20.00   2

assign (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.0   140    20.00   2

assign (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name C) (resid   22 and name N )  1.0   130    20.00   2

assign (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.0   160    20.00   2

assign (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.0   120    20.00   2

assign (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.0   110    20.00   2

assign (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.0   180    20.00   2

assign (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.0   150    20.00   2

assign (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.0   120    20.00   2

assign (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.0   150    20.00   2

assign (resid   36 and name N ) (resid   36 and name CA )
       (resid   36 and name C) (resid   37 and name N )  1.0   120    20.00   2

assign (resid   37 and name N ) (resid   37 and name CA )
       (resid   37 and name C) (resid   38 and name N )  1.0   170    20.00   2

assign (resid   38 and name N ) (resid   38 and name CA )
       (resid   38 and name C) (resid   39 and name N )  1.0   150    20.00   2

assign (resid   61 and name N ) (resid   61 and name CA)
       (resid   61 and name C) (resid   62 and name N )  1.0   170    20.00   2

assign (resid   62 and name N ) (resid   62 and name CA)
       (resid   62 and name C) (resid   63 and name N )  1.0   140    20.00   2

assign (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.0   100    20.00   2

assign (resid   64 and name N ) (resid   64 and name CA )
       (resid   64 and name C) (resid   65 and name N )  1.0   140    20.00   2

assign (resid   65 and name N ) (resid   65 and name CA )
       (resid   65 and name C) (resid   66 and name N )  1.0   130    20.00   2

assign (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.0   160    20.00   2

assign (resid   70 and name N ) (resid   70 and name CA )
       (resid   70 and name C) (resid   71 and name N )  1.0   120    20.00   2

assign (resid   71 and name N ) (resid   71 and name CA )
       (resid   71 and name C) (resid   72 and name N )  1.0   110    20.00   2

assign (resid   72 and name N ) (resid   72 and name CA )
       (resid   72 and name C) (resid   73 and name N )  1.0   180    20.00   2

assign (resid   73 and name N ) (resid   73 and name CA )
       (resid   73 and name C) (resid   74 and name N )  1.0   150    20.00   2

assign (resid   74 and name N ) (resid   74 and name CA )
       (resid   74 and name C) (resid   75 and name N )  1.0   130    20.00   2

assign (resid   75 and name N ) (resid   75 and name CA )
       (resid   75 and name C) (resid   76 and name N )  1.0   150    20.00   2

assign (resid   80 and name N ) (resid   80 and name CA )
       (resid   80 and name C) (resid   81 and name N )  1.0   120    20.00   2

assign (resid   81 and name N ) (resid   81 and name CA )
       (resid   81 and name C) (resid   82 and name N )  1.0   170    20.00   2

assign (resid   82 and name N ) (resid   82 and name CA )
       (resid   82 and name C) (resid   83 and name N )  1.0   150    20.00   2
! resid 999 contains the four atoms which define the tensor
! the coordinates of resid 999 are appended to the pdb
! use our pdf file for the tensor
!
! the data are in the format:
! assign (atomselection) value error


assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid   4  and name N   )
       ( resid   4  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid   6  and name N   )
       ( resid   6  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid   7  and name N   )
       ( resid   7  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  8   and name N   )
       ( resid  8   and name HN  )   7.35  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  )   3.81  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )   -3.28  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )   -6.82  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )  -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )   0.26  1.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )   0.26  0.5000 


assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )    2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  )    9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  )    9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )    9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )    5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )    2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  37  and name N   )
       ( resid  37  and name HN  )    2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )    0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )   3.81  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  43  and name N   )
       ( resid  43  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  )   -1.51  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )   2.04  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  )   7.35  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  48  and name N   )
       ( resid  48  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )   3.81  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )   7.35  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  54  and name N   )
       ( resid  54  and name HN  )   0.26  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  57  and name N   )
       ( resid  57  and name HN  )   5.58  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )   -12.13  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )   -3.28  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )   7.35  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )   3.81  2.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )   -6.82  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  )   7.35  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  )   -6.82  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )   7.35  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  72  and name N   )
       ( resid  72  and name HN  )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  )   -3.28  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  )   -13.67  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  75  and name N   )
       ( resid  75  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  76  and name N   )
       ( resid  76  and name HN  )   -13.67  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  77  and name N   )
       ( resid  77  and name HN  )   3.81  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  78  and name N   )
       ( resid  78  and name HN  )   -3.91  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  79  and name N   )
       ( resid  79  and name HN  )   -12.13  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  80  and name N   )
       ( resid  80  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  81  and name N   )
       ( resid  81  and name HN  )   -10.36  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  82  and name N   )
       ( resid  82  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  83  and name N   )
       ( resid  83  and name HN  )   -8.59  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  84  and name N   )
       ( resid  84  and name HN  )   -12.13  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  85  and name N   )
       ( resid  85  and name HN  )   14.43  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  61  and name NE1 )
       ( resid  61  and name HE1 )   9.12  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  17  and name NE1 )
       ( resid  17  and name HE1 )  -1.51  0.5000 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -31.520   1.899   3.622
    2   2H    GLY   1          2H        GLY   1 -30.804   0.670   2.703
    3   3H    GLY   1          3H        GLY   1 -32.453   1.023   2.506
    4   1HA   GLY   1          2HA       GLY   1 -31.358   1.984   0.666
    5   2HA   GLY   1          1HA       GLY   1 -31.812   3.291   1.751
    6    H    SER   2           H        SER   2 -29.098   0.981   1.543
    7    HA   SER   2           HA       SER   2 -27.228   2.917   2.510
    8   1HB   SER   2          2HB       SER   2 -26.796   0.218   1.206
    9   2HB   SER   2          3HB       SER   2 -25.542   1.172   2.002
   10    HG   SER   2           HG       SER   2 -26.954   1.092   3.906
   11    HA   PRO   3           HA       PRO   3 -26.409   4.924  -1.370
   12   1HB   PRO   3          2HB       PRO   3 -24.088   6.151  -0.643
   13   2HB   PRO   3          3HB       PRO   3 -25.684   6.735  -0.163
   14   1HG   PRO   3          2HG       PRO   3 -23.717   5.110   1.393
   15   2HG   PRO   3          3HG       PRO   3 -24.726   6.465   1.932
   16   1HD   PRO   3          2HD       PRO   3 -25.354   3.883   2.447
   17   2HD   PRO   3          3HD       PRO   3 -26.591   5.134   2.200
   18    H    GLU   4           H        GLU   4 -25.165   4.534  -3.170
   19    HA   GLU   4           HA       GLU   4 -23.465   2.187  -3.091
   20   1HB   GLU   4          2HB       GLU   4 -24.323   3.999  -5.350
   21   2HB   GLU   4          3HB       GLU   4 -23.316   2.575  -5.565
   22   1HG   GLU   4          2HG       GLU   4 -26.077   2.518  -4.379
   23   2HG   GLU   4          3HG       GLU   4 -25.727   2.244  -6.083
   24    H    PHE   5           H        PHE   5 -22.429   4.266  -1.585
   25    HA   PHE   5           HA       PHE   5 -19.829   4.642  -2.767
   26   1HB   PHE   5          2HB       PHE   5 -21.417   6.532  -3.603
   27   2HB   PHE   5          3HB       PHE   5 -21.338   7.125  -1.950
   28    HD1  PHE   5           HD1      PHE   5 -20.187   9.127  -2.149
   29    HD2  PHE   5           HD2      PHE   5 -18.625   5.631  -4.001
   30    HE1  PHE   5           HE1      PHE   5 -18.132  10.351  -2.712
   31    HE2  PHE   5           HE2      PHE   5 -16.565   6.849  -4.564
   32    HZ   PHE   5           HZ       PHE   5 -16.312   9.210  -3.919
   33    H    HIS   6           H        HIS   6 -18.354   5.618  -1.142
   34    HA   HIS   6           HA       HIS   6 -17.454   5.716   0.937
   35   1HB   HIS   6          2HB       HIS   6 -20.326   6.136   1.804
   36   2HB   HIS   6          3HB       HIS   6 -18.929   6.318   2.856
   37    HD1  HIS   6           HD1      HIS   6 -17.266   8.334   2.223
   38    HD2  HIS   6           HD2      HIS   6 -20.973   8.334   0.342
   39    HE1  HIS   6           HE1      HIS   6 -17.534  10.635   1.251
   40    HE2  HIS   6           HE2      HIS   6 -19.842  10.660   0.247
   41    H    MET   7           H        MET   7 -18.265   3.144  -0.217
   42    HA   MET   7           HA       MET   7 -19.343   1.492   1.826
   43   1HB   MET   7          2HB       MET   7 -19.390   0.831  -0.533
   44   2HB   MET   7          3HB       MET   7 -17.634   0.774  -0.566
   45   1HG   MET   7          2HG       MET   7 -18.462  -1.454  -0.399
   46   2HG   MET   7          3HG       MET   7 -17.710  -1.023   1.137
   47   1HE   MET   7          1HE       MET   7 -20.826  -0.314  -0.699
   48   2HE   MET   7          2HE       MET   7 -21.624  -1.849  -0.357
   49   3HE   MET   7          3HE       MET   7 -22.114  -0.389   0.500
   50    H    ASP   8           H        ASP   8 -16.049   2.062   0.671
   51    HA   ASP   8           HA       ASP   8 -15.045   1.285   3.316
   52   1HB   ASP   8          2HB       ASP   8 -13.765   0.511   0.676
   53   2HB   ASP   8          3HB       ASP   8 -13.075   0.224   2.268
   54    H    ALA   9           H        ALA   9 -15.605   3.760   2.863
   55    HA   ALA   9           HA       ALA   9 -13.544   5.231   1.488
   56   1HB   ALA   9          1HB       ALA   9 -16.161   5.770   2.497
   57   2HB   ALA   9          2HB       ALA   9 -15.036   6.990   3.093
   58   3HB   ALA   9          3HB       ALA   9 -15.191   6.705   1.360
   59    H    LEU  10           H        LEU  10 -12.723   3.554   3.750
   60    HA   LEU  10           HA       LEU  10 -11.775   5.528   5.686
   61   1HB   LEU  10          2HB       LEU  10 -10.987   3.714   7.014
   62   2HB   LEU  10          3HB       LEU  10 -12.598   3.303   6.473
   63    HG   LEU  10           HG       LEU  10 -10.220   2.258   4.983
   64   1HD1  LEU  10          1HD1      LEU  10  -9.550   1.349   6.943
   65   2HD1  LEU  10          2HD1      LEU  10 -11.142   1.502   7.685
   66   3HD1  LEU  10          3HD1      LEU  10 -10.817   0.182   6.562
   67   1HD2  LEU  10          1HD2      LEU  10 -12.665   2.083   4.211
   68   2HD2  LEU  10          2HD2      LEU  10 -11.691   0.614   4.215
   69   3HD2  LEU  10          3HD2      LEU  10 -12.847   0.909   5.514
   70    H    GLY  11           H        GLY  11 -10.704   3.370   3.158
   71   1HA   GLY  11          1HA       GLY  11  -7.916   3.797   3.454
   72   2HA   GLY  11          2HA       GLY  11  -8.716   3.160   2.027
   73    HA   PRO  12           HA       PRO  12  -8.163   6.922  -0.168
   74   1HB   PRO  12          2HB       PRO  12 -10.611   7.880  -0.900
   75   2HB   PRO  12          3HB       PRO  12  -9.845   6.478  -1.653
   76   1HG   PRO  12          2HG       PRO  12 -11.954   6.573   0.463
   77   2HG   PRO  12          3HG       PRO  12 -11.832   5.506  -0.948
   78   1HD   PRO  12          2HD       PRO  12 -11.145   4.700   1.538
   79   2HD   PRO  12          3HD       PRO  12 -10.316   4.107   0.085
   80    H    LEU  13           H        LEU  13  -7.335   8.599   0.836
   81    HA   LEU  13           HA       LEU  13  -7.110  10.561   1.961
   82   1HB   LEU  13          2HB       LEU  13 -10.039  10.703   1.299
   83   2HB   LEU  13          3HB       LEU  13  -9.206  11.995   2.141
   84    HG   LEU  13           HG       LEU  13  -8.356  10.978  -0.567
   85   1HD1  LEU  13          1HD1      LEU  13  -9.920  13.488  -0.043
   86   2HD1  LEU  13          2HD1      LEU  13  -9.566  12.715  -1.587
   87   3HD1  LEU  13          3HD1      LEU  13 -10.698  11.964  -0.464
   88   1HD2  LEU  13          1HD2      LEU  13  -6.558  12.200  -0.077
   89   2HD2  LEU  13          2HD2      LEU  13  -7.601  13.611  -0.241
   90   3HD2  LEU  13          3HD2      LEU  13  -7.322  12.901   1.348
   91    HA   PRO  14           HA       PRO  14  -8.751   8.642   5.909
   92   1HB   PRO  14          2HB       PRO  14  -5.965   8.235   6.636
   93   2HB   PRO  14          3HB       PRO  14  -7.259   7.042   6.501
   94   1HG   PRO  14          2HG       PRO  14  -5.160   7.143   4.786
   95   2HG   PRO  14          3HG       PRO  14  -6.768   6.565   4.314
   96   1HD   PRO  14          2HD       PRO  14  -5.498   9.236   3.833
   97   2HD   PRO  14          3HD       PRO  14  -6.477   8.239   2.734
   98    H    ASP  15           H        ASP  15  -5.895  10.633   5.314
   99    HA   ASP  15           HA       ASP  15  -6.809  12.631   7.192
  100   1HB   ASP  15          2HB       ASP  15  -5.627  11.042   8.663
  101   2HB   ASP  15          3HB       ASP  15  -4.175  11.227   7.682
  102    H    GLY  16           H        GLY  16  -4.193  11.518   5.036
  103   1HA   GLY  16          1HA       GLY  16  -4.046  14.252   4.008
  104   2HA   GLY  16          2HA       GLY  16  -2.555  13.493   4.561
  105    H    TRP  17           H        TRP  17  -2.863  10.961   3.772
  106    HA   TRP  17           HA       TRP  17  -2.093  11.038   1.113
  107   1HB   TRP  17          2HB       TRP  17  -2.979   8.732   2.831
  108   2HB   TRP  17          3HB       TRP  17  -2.508   8.495   1.154
  109    HD1  TRP  17           HD1      TRP  17  -1.114   8.545   4.539
  110    HE1  TRP  17           HE1      TRP  17   1.448   8.517   4.459
  111    HE3  TRP  17           HE3      TRP  17  -0.446   9.701  -0.410
  112    HZ2  TRP  17           HZ2      TRP  17   3.494   8.983   2.578
  113    HZ3  TRP  17           HZ3      TRP  17   1.861   9.890  -1.253
  114    HH2  TRP  17           HH2      TRP  17   3.783   9.541   0.204
  115    H    GLU  18           H        GLU  18  -2.973  10.399  -0.765
  116    HA   GLU  18           HA       GLU  18  -5.825   9.756  -0.879
  117   1HB   GLU  18          2HB       GLU  18  -5.485  12.166  -1.492
  118   2HB   GLU  18          3HB       GLU  18  -4.445  11.637  -2.810
  119   1HG   GLU  18          2HG       GLU  18  -6.270  10.496  -3.869
  120   2HG   GLU  18          3HG       GLU  18  -7.328  10.832  -2.501
  121    H    LYS  19           H        LYS  19  -6.036   7.860  -1.848
  122    HA   LYS  19           HA       LYS  19  -3.846   6.991  -3.598
  123   1HB   LYS  19          2HB       LYS  19  -4.361   4.703  -2.975
  124   2HB   LYS  19          3HB       LYS  19  -4.044   5.687  -1.558
  125   1HG   LYS  19          2HG       LYS  19  -6.470   5.843  -1.158
  126   2HG   LYS  19          3HG       LYS  19  -6.742   4.777  -2.540
  127   1HD   LYS  19          2HD       LYS  19  -5.218   4.110  -0.018
  128   2HD   LYS  19          3HD       LYS  19  -6.801   3.484  -0.489
  129   1HE   LYS  19          2HE       LYS  19  -5.825   2.351  -2.389
  130   2HE   LYS  19          3HE       LYS  19  -4.248   3.056  -2.037
  131   1HZ   LYS  19          1HZ       LYS  19  -3.824   1.497  -0.526
  132   2HZ   LYS  19          2HZ       LYS  19  -5.137   0.643  -1.171
  133   3HZ   LYS  19          3HZ       LYS  19  -5.354   1.631   0.194
  134    H    LYS  20           H        LYS  20  -4.168   6.584  -5.638
  135    HA   LYS  20           HA       LYS  20  -6.891   6.001  -6.598
  136   1HB   LYS  20          2HB       LYS  20  -6.417   8.301  -7.178
  137   2HB   LYS  20          3HB       LYS  20  -4.850   7.856  -7.837
  138   1HG   LYS  20          2HG       LYS  20  -5.907   6.659  -9.647
  139   2HG   LYS  20          3HG       LYS  20  -7.502   6.976  -8.957
  140   1HD   LYS  20          2HD       LYS  20  -7.310   9.307  -9.361
  141   2HD   LYS  20          3HD       LYS  20  -5.594   9.166  -9.746
  142   1HE   LYS  20          2HE       LYS  20  -7.824   7.927 -11.350
  143   2HE   LYS  20          3HE       LYS  20  -7.039   9.457 -11.739
  144   1HZ   LYS  20          1HZ       LYS  20  -6.168   6.808 -12.278
  145   2HZ   LYS  20          2HZ       LYS  20  -4.988   7.659 -11.408
  146   3HZ   LYS  20          3HZ       LYS  20  -5.570   8.275 -12.874
  147    H    ILE  21           H        ILE  21  -6.956   4.078  -7.597
  148    HA   ILE  21           HA       ILE  21  -4.499   2.679  -8.098
  149    HB   ILE  21           HB       ILE  21  -6.287   1.449  -7.085
  150   1HG1  ILE  21          2HG1      ILE  21  -5.860   0.524  -9.936
  151   2HG1  ILE  21          3HG1      ILE  21  -4.809   0.179  -8.567
  152   1HG2  ILE  21          1HG2      ILE  21  -8.401   0.982  -8.235
  153   2HG2  ILE  21          2HG2      ILE  21  -8.179   2.707  -7.936
  154   3HG2  ILE  21          3HG2      ILE  21  -7.911   2.050  -9.550
  155   1HD1  ILE  21          1HD1      ILE  21  -6.646  -1.527  -9.454
  156   2HD1  ILE  21          2HD1      ILE  21  -6.163  -1.434  -7.759
  157   3HD1  ILE  21          3HD1      ILE  21  -7.636  -0.628  -8.303
  158    H    GLN  22           H        GLN  22  -3.601   2.070  -9.977
  159    HA   GLN  22           HA       GLN  22  -4.768   3.084 -12.473
  160   1HB   GLN  22          2HB       GLN  22  -1.935   2.305 -11.772
  161   2HB   GLN  22          3HB       GLN  22  -2.468   2.665 -13.408
  162   1HG   GLN  22          2HG       GLN  22  -2.563   4.564 -11.076
  163   2HG   GLN  22          3HG       GLN  22  -1.344   4.562 -12.352
  164   1HE2  GLN  22          1HE2      GLN  22  -1.711   5.727 -14.110
  165   2HE2  GLN  22          2HE2      GLN  22  -3.226   6.467 -14.530
  166    H    SER  23           H        SER  23  -4.827   1.645 -14.283
  167    HA   SER  23           HA       SER  23  -5.928  -0.818 -13.765
  168   1HB   SER  23          2HB       SER  23  -4.550  -0.030 -16.334
  169   2HB   SER  23          3HB       SER  23  -5.854  -1.206 -16.143
  170    HG   SER  23           HG       SER  23  -7.125   0.600 -15.302
  171    H    ASP  24           H        ASP  24  -2.590  -0.118 -13.753
  172    HA   ASP  24           HA       ASP  24  -1.690  -2.787 -14.427
  173   1HB   ASP  24          2HB       ASP  24  -0.223  -0.873 -14.858
  174   2HB   ASP  24          3HB       ASP  24  -0.216  -0.474 -13.143
  175    H    ASN  25           H        ASN  25  -2.984  -1.190 -11.797
  176    HA   ASN  25           HA       ASN  25  -3.712  -1.995  -9.758
  177   1HB   ASN  25          2HB       ASN  25  -3.216  -4.382 -10.525
  178   2HB   ASN  25          3HB       ASN  25  -1.612  -4.168  -9.830
  179   1HD2  ASN  25          1HD2      ASN  25  -1.405  -4.881  -7.836
  180   2HD2  ASN  25          2HD2      ASN  25  -2.659  -4.987  -6.651
  181    H    ARG  26           H        ARG  26  -1.700  -0.162 -10.604
  182    HA   ARG  26           HA       ARG  26   0.115  -0.106  -8.286
  183   1HB   ARG  26          2HB       ARG  26   1.428   0.211 -10.211
  184   2HB   ARG  26          3HB       ARG  26   0.191   1.167 -11.012
  185   1HG   ARG  26          2HG       ARG  26   0.648   3.048  -9.578
  186   2HG   ARG  26          3HG       ARG  26   1.783   2.089  -8.628
  187   1HD   ARG  26          2HD       ARG  26   2.150   2.539 -11.576
  188   2HD   ARG  26          3HD       ARG  26   2.756   3.681 -10.376
  189    HE   ARG  26           HE       ARG  26   3.627   1.111  -9.677
  190   1HH1  ARG  26          2HH1      ARG  26   4.136   3.394 -12.305
  191   2HH1  ARG  26          1HH1      ARG  26   5.806   2.943 -12.514
  192   1HH2  ARG  26          2HH2      ARG  26   5.805   0.557  -9.957
  193   2HH2  ARG  26          1HH2      ARG  26   6.746   1.342 -11.195
  194    H    VAL  27           H        VAL  27  -0.702   1.083  -6.574
  195    HA   VAL  27           HA       VAL  27  -2.731   3.061  -7.222
  196    HB   VAL  27           HB       VAL  27  -1.621   2.280  -4.527
  197   1HG1  VAL  27          1HG1      VAL  27  -3.603   4.250  -5.441
  198   2HG1  VAL  27          2HG1      VAL  27  -4.119   3.231  -4.094
  199   3HG1  VAL  27          3HG1      VAL  27  -2.650   4.203  -3.957
  200   1HG2  VAL  27          1HG2      VAL  27  -3.434   0.942  -6.312
  201   2HG2  VAL  27          2HG2      VAL  27  -2.807   0.409  -4.752
  202   3HG2  VAL  27          3HG2      VAL  27  -4.263   1.401  -4.826
  203    H    TYR  28           H        TYR  28  -2.387   5.211  -7.351
  204    HA   TYR  28           HA       TYR  28   0.317   6.171  -6.739
  205   1HB   TYR  28          2HB       TYR  28  -2.050   7.413  -8.145
  206   2HB   TYR  28          3HB       TYR  28  -0.699   8.390  -7.589
  207    HD1  TYR  28           HD1      TYR  28   0.147   9.172  -9.618
  208    HD2  TYR  28           HD2      TYR  28  -0.490   4.998  -9.102
  209    HE1  TYR  28           HE1      TYR  28   1.331   8.738 -11.728
  210    HE2  TYR  28           HE2      TYR  28   0.692   4.554 -11.208
  211    HH   TYR  28           HH       TYR  28   2.335   7.105 -12.978
  212    H    PHE  29           H        PHE  29   0.615   7.820  -5.181
  213    HA   PHE  29           HA       PHE  29  -1.720   8.335  -3.484
  214   1HB   PHE  29          2HB       PHE  29   1.056   7.876  -2.391
  215   2HB   PHE  29          3HB       PHE  29  -0.408   8.185  -1.467
  216    HD1  PHE  29           HD1      PHE  29   0.989   5.835  -3.918
  217    HD2  PHE  29           HD2      PHE  29  -1.570   6.407  -0.589
  218    HE1  PHE  29           HE1      PHE  29   0.584   3.434  -3.850
  219    HE2  PHE  29           HE2      PHE  29  -1.986   3.956  -0.516
  220    HZ   PHE  29           HZ       PHE  29  -0.885   2.480  -2.161
  221    H    VAL  30           H        VAL  30  -1.868  10.268  -2.630
  222    HA   VAL  30           HA       VAL  30   0.268  12.185  -3.079
  223    HB   VAL  30           HB       VAL  30  -2.656  12.792  -3.636
  224   1HG1  VAL  30          1HG1      VAL  30  -0.200  14.520  -3.935
  225   2HG1  VAL  30          2HG1      VAL  30  -1.845  14.974  -4.381
  226   3HG1  VAL  30          3HG1      VAL  30  -1.438  14.686  -2.690
  227   1HG2  VAL  30          1HG2      VAL  30  -0.749  11.597  -5.326
  228   2HG2  VAL  30          2HG2      VAL  30  -2.341  12.219  -5.760
  229   3HG2  VAL  30          3HG2      VAL  30  -0.929  13.266  -5.868
  230    H    ASN  31           H        ASN  31   0.797  12.683  -1.034
  231    HA   ASN  31           HA       ASN  31  -1.344  12.980   0.967
  232   1HB   ASN  31          2HB       ASN  31   0.669  11.704   1.680
  233   2HB   ASN  31          3HB       ASN  31   1.664  13.110   1.322
  234   1HD2  ASN  31          1HD2      ASN  31   0.287  11.448   3.744
  235   2HD2  ASN  31          2HD2      ASN  31   0.141  12.708   4.928
  236    H    HIS  32           H        HIS  32  -2.131  14.985   1.258
  237    HA   HIS  32           HA       HIS  32  -0.807  17.117  -0.162
  238   1HB   HIS  32          2HB       HIS  32  -2.909  18.388   0.252
  239   2HB   HIS  32          3HB       HIS  32  -3.164  16.850  -0.560
  240    HD1  HIS  32           HD1      HIS  32  -3.455  18.350   2.936
  241    HD2  HIS  32           HD2      HIS  32  -5.048  15.285   0.606
  242    HE1  HIS  32           HE1      HIS  32  -5.247  17.277   4.341
  243    HE2  HIS  32           HE2      HIS  32  -6.153  15.383   2.945
  244    H    LYS  33           H        LYS  33  -1.020  16.117   3.080
  245    HA   LYS  33           HA       LYS  33  -0.758  18.674   4.326
  246   1HB   LYS  33          2HB       LYS  33   0.071  15.952   5.368
  247   2HB   LYS  33          3HB       LYS  33  -0.139  17.411   6.329
  248   1HG   LYS  33          2HG       LYS  33  -2.517  17.424   5.831
  249   2HG   LYS  33          3HG       LYS  33  -2.323  16.002   4.807
  250   1HD   LYS  33          2HD       LYS  33  -3.173  15.265   6.911
  251   2HD   LYS  33          3HD       LYS  33  -1.484  14.769   6.817
  252   1HE   LYS  33          2HE       LYS  33  -0.823  16.627   8.220
  253   2HE   LYS  33          3HE       LYS  33  -2.478  17.234   8.242
  254   1HZ   LYS  33          1HZ       LYS  33  -1.275  15.250   9.887
  255   2HZ   LYS  33          2HZ       LYS  33  -2.645  14.622   9.110
  256   3HZ   LYS  33          3HZ       LYS  33  -2.772  16.021  10.057
  257    H    ASN  34           H        ASN  34   1.509  16.075   3.547
  258    HA   ASN  34           HA       ASN  34   3.734  17.901   4.009
  259   1HB   ASN  34          2HB       ASN  34   3.725  14.913   3.502
  260   2HB   ASN  34          3HB       ASN  34   5.133  15.867   3.951
  261   1HD2  ASN  34          1HD2      ASN  34   5.665  15.635   6.001
  262   2HD2  ASN  34          2HD2      ASN  34   4.571  15.375   7.315
  263    H    ARG  35           H        ARG  35   1.904  16.846   1.472
  264    HA   ARG  35           HA       ARG  35   2.020  17.009  -0.780
  265   1HB   ARG  35          2HB       ARG  35   2.752  19.325  -0.287
  266   2HB   ARG  35          3HB       ARG  35   4.424  18.777  -0.285
  267   1HG   ARG  35          2HG       ARG  35   4.246  18.146  -2.621
  268   2HG   ARG  35          3HG       ARG  35   2.547  18.616  -2.635
  269   1HD   ARG  35          2HD       ARG  35   3.223  20.932  -2.093
  270   2HD   ARG  35          3HD       ARG  35   4.913  20.432  -2.183
  271    HE   ARG  35           HE       ARG  35   3.158  21.002  -4.372
  272   1HH1  ARG  35          2HH1      ARG  35   6.053  19.272  -3.408
  273   2HH1  ARG  35          1HH1      ARG  35   6.547  18.933  -5.045
  274   1HH2  ARG  35          2HH2      ARG  35   3.800  20.561  -6.519
  275   2HH2  ARG  35          1HH2      ARG  35   5.255  19.654  -6.809
  276    H    THR  36           H        THR  36   2.484  14.839  -1.100
  277    HA   THR  36           HA       THR  36   5.053  14.347  -2.312
  278    HB   THR  36           HB       THR  36   5.657  13.909  -0.012
  279    HG1  THR  36           HG1      THR  36   6.542  11.933  -0.364
  280   1HG2  THR  36          1HG2      THR  36   3.367  11.948   0.037
  281   2HG2  THR  36          2HG2      THR  36   3.437  13.483   0.903
  282   3HG2  THR  36          3HG2      THR  36   4.553  12.183   1.320
  283    H    THR  37           H        THR  37   5.054  12.608  -3.702
  284    HA   THR  37           HA       THR  37   2.474  11.226  -4.044
  285    HB   THR  37           HB       THR  37   4.481  11.802  -6.235
  286    HG1  THR  37           HG1      THR  37   2.948  13.548  -5.094
  287   1HG2  THR  37          1HG2      THR  37   1.885  11.412  -7.246
  288   2HG2  THR  37          2HG2      THR  37   2.152  10.127  -6.068
  289   3HG2  THR  37          3HG2      THR  37   3.276  10.339  -7.411
  290    H    GLN  38           H        GLN  38   2.595   8.987  -4.405
  291    HA   GLN  38           HA       GLN  38   5.235   7.709  -4.378
  292   1HB   GLN  38          2HB       GLN  38   3.135   7.434  -2.234
  293   2HB   GLN  38          3HB       GLN  38   4.346   6.191  -2.507
  294   1HG   GLN  38          2HG       GLN  38   5.003   9.063  -1.910
  295   2HG   GLN  38          3HG       GLN  38   4.870   7.803  -0.680
  296   1HE2  GLN  38          1HE2      GLN  38   6.919   9.402  -2.734
  297   2HE2  GLN  38          2HE2      GLN  38   8.258   8.301  -2.699
  298    H    TRP  39           H        TRP  39   5.304   5.925  -5.581
  299    HA   TRP  39           HA       TRP  39   2.901   5.005  -6.838
  300   1HB   TRP  39          2HB       TRP  39   4.582   3.495  -8.089
  301   2HB   TRP  39          3HB       TRP  39   4.652   5.232  -8.352
  302    HD1  TRP  39           HD1      TRP  39   6.348   3.005  -5.632
  303    HE1  TRP  39           HE1      TRP  39   8.869   3.563  -5.626
  304    HE3  TRP  39           HE3      TRP  39   6.426   6.411  -9.445
  305    HZ2  TRP  39           HZ2      TRP  39  10.642   5.223  -7.065
  306    HZ3  TRP  39           HZ3      TRP  39   8.573   7.433 -10.070
  307    HH2  TRP  39           HH2      TRP  39  10.638   6.850  -8.903
  308    H    GLU  40           H        GLU  40   1.960   3.081  -6.792
  309    HA   GLU  40           HA       GLU  40   1.307   0.977  -6.192
  310   1HB   GLU  40          2HB       GLU  40   4.170   0.881  -5.578
  311   2HB   GLU  40          3HB       GLU  40   3.197  -0.194  -4.587
  312   1HG   GLU  40          2HG       GLU  40   3.803  -1.522  -6.367
  313   2HG   GLU  40          3HG       GLU  40   2.186  -0.984  -6.811
  314    H    ASP  41           H        ASP  41   3.173   2.400  -3.589
  315    HA   ASP  41           HA       ASP  41   1.189   2.786  -1.705
  316   1HB   ASP  41          2HB       ASP  41   1.251   0.287  -1.586
  317   2HB   ASP  41          3HB       ASP  41   2.953   0.375  -1.157
  318    HA   PRO  42           HA       PRO  42   4.538   5.438  -0.710
  319   1HB   PRO  42          2HB       PRO  42   3.541   5.824   2.018
  320   2HB   PRO  42          3HB       PRO  42   3.603   6.963   0.671
  321   1HG   PRO  42          2HG       PRO  42   1.285   5.924   1.571
  322   2HG   PRO  42          3HG       PRO  42   1.540   6.333  -0.137
  323   1HD   PRO  42          2HD       PRO  42   1.653   3.654   1.217
  324   2HD   PRO  42          3HD       PRO  42   0.959   4.094  -0.358
  325    H    ARG  43           H        ARG  43   5.928   3.358  -0.621
  326    HA   ARG  43           HA       ARG  43   6.788   2.503   1.974
  327   1HB   ARG  43          2HB       ARG  43   8.616   1.351   0.735
  328   2HB   ARG  43          3HB       ARG  43   6.996   0.937   0.200
  329   1HG   ARG  43          2HG       ARG  43   7.230   2.315  -1.755
  330   2HG   ARG  43          3HG       ARG  43   8.789   2.921  -1.184
  331   1HD   ARG  43          2HD       ARG  43   9.106   1.187  -2.859
  332   2HD   ARG  43          3HD       ARG  43   9.708   0.657  -1.290
  333    HE   ARG  43           HE       ARG  43   6.999  -0.139  -1.947
  334   1HH1  ARG  43          2HH1      ARG  43  10.386  -1.002  -1.794
  335   2HH1  ARG  43          1HH1      ARG  43  10.089  -2.704  -1.986
  336   1HH2  ARG  43          2HH2      ARG  43   6.598  -2.384  -2.150
  337   2HH2  ARG  43          1HH2      ARG  43   7.940  -3.492  -2.146
  338    H    THR  44           H        THR  44   6.979   5.169   2.106
  339    HA   THR  44           HA       THR  44   8.369   6.936   2.561
  340    HB   THR  44           HB       THR  44  10.438   4.885   3.311
  341    HG1  THR  44           HG1      THR  44   7.842   5.251   4.331
  342   1HG2  THR  44          1HG2      THR  44  11.297   6.877   4.007
  343   2HG2  THR  44          2HG2      THR  44  10.243   6.579   5.389
  344   3HG2  THR  44          3HG2      THR  44   9.715   7.650   4.093
  345    H    GLN  45           H        GLN  45   8.435   6.179  -0.105
  346    HA   GLN  45           HA       GLN  45   9.580   6.281  -2.050
  347   1HB   GLN  45          2HB       GLN  45  11.283   8.086  -2.262
  348   2HB   GLN  45          3HB       GLN  45   9.731   8.600  -1.628
  349   1HG   GLN  45          2HG       GLN  45  10.784   8.428   0.677
  350   2HG   GLN  45          3HG       GLN  45  12.329   8.289  -0.164
  351   1HE2  GLN  45          1HE2      GLN  45  10.533  10.147  -2.131
  352   2HE2  GLN  45          2HE2      GLN  45  10.961  11.718  -1.540
  353    H    GLY  46           H        GLY  46  12.667   7.114  -1.481
  354   1HA   GLY  46          1HA       GLY  46  13.637   4.505  -2.148
  355   2HA   GLY  46          2HA       GLY  46  14.621   5.921  -1.813
  356    H    GLN  47           H        GLN  47  13.702   6.486   0.755
  357    HA   GLN  47           HA       GLN  47  15.444   5.068   2.336
  358   1HB   GLN  47          2HB       GLN  47  12.907   6.413   3.288
  359   2HB   GLN  47          3HB       GLN  47  14.329   6.068   4.261
  360   1HG   GLN  47          2HG       GLN  47  14.272   7.923   1.894
  361   2HG   GLN  47          3HG       GLN  47  14.174   8.421   3.583
  362   1HE2  GLN  47          1HE2      GLN  47  16.203   7.975   1.021
  363   2HE2  GLN  47          2HE2      GLN  47  17.713   7.875   1.873
  364    H    GLU  48           H        GLU  48  11.991   4.578   1.985
  365    HA   GLU  48           HA       GLU  48  10.560   2.872   2.596
  366   1HB   GLU  48          2HB       GLU  48  12.163   1.877   0.877
  367   2HB   GLU  48          3HB       GLU  48  12.982   1.110   2.228
  368   1HG   GLU  48          2HG       GLU  48  11.018  -0.150   2.777
  369   2HG   GLU  48          3HG       GLU  48  10.074   0.722   1.569
  370    H    VAL  49           H        VAL  49  10.916   3.978   4.767
  371    HA   VAL  49           HA       VAL  49  11.796   2.056   6.814
  372    HB   VAL  49           HB       VAL  49  12.638   4.957   6.632
  373   1HG1  VAL  49          1HG1      VAL  49  13.621   4.823   8.736
  374   2HG1  VAL  49          2HG1      VAL  49  12.071   4.011   8.960
  375   3HG1  VAL  49          3HG1      VAL  49  13.546   3.060   8.767
  376   1HG2  VAL  49          1HG2      VAL  49  14.782   4.260   6.172
  377   2HG2  VAL  49          2HG2      VAL  49  14.522   2.657   6.856
  378   3HG2  VAL  49          3HG2      VAL  49  13.828   3.069   5.290
  379    H    SER  50           H        SER  50  10.024   5.074   6.224
  380    HA   SER  50           HA       SER  50   9.096   5.429   8.841
  381   1HB   SER  50          2HB       SER  50   9.003   7.051   6.825
  382   2HB   SER  50          3HB       SER  50   7.492   6.236   6.422
  383    HG   SER  50           HG       SER  50   8.134   7.755   8.725
  384    H    LEU  51           H        LEU  51   7.608   3.787   6.069
  385    HA   LEU  51           HA       LEU  51   5.472   2.764   7.770
  386   1HB   LEU  51          2HB       LEU  51   6.044   2.245   4.852
  387   2HB   LEU  51          3HB       LEU  51   4.643   1.659   5.726
  388    HG   LEU  51           HG       LEU  51   5.274   4.439   4.812
  389   1HD1  LEU  51          1HD1      LEU  51   3.356   4.266   3.631
  390   2HD1  LEU  51          2HD1      LEU  51   3.717   2.544   3.761
  391   3HD1  LEU  51          3HD1      LEU  51   2.554   3.286   4.860
  392   1HD2  LEU  51          1HD2      LEU  51   3.601   3.677   7.190
  393   2HD2  LEU  51          2HD2      LEU  51   4.824   4.942   7.057
  394   3HD2  LEU  51          3HD2      LEU  51   3.268   5.129   6.246
  395    H    ILE  52           H        ILE  52   8.425   2.050   7.907
  396    HA   ILE  52           HA       ILE  52   8.132  -0.896   7.853
  397    HB   ILE  52           HB       ILE  52  10.737   0.623   8.040
  398   1HG1  ILE  52          2HG1      ILE  52   9.824   1.237   5.906
  399   2HG1  ILE  52          3HG1      ILE  52  11.046  -0.003   5.634
  400   1HG2  ILE  52          1HG2      ILE  52  11.112  -1.533   8.804
  401   2HG2  ILE  52          2HG2      ILE  52   9.978  -2.244   7.652
  402   3HG2  ILE  52          3HG2      ILE  52  11.540  -1.642   7.095
  403   1HD1  ILE  52          1HD1      ILE  52   8.749  -0.104   4.417
  404   2HD1  ILE  52          2HD1      ILE  52   9.527  -1.575   5.003
  405   3HD1  ILE  52          3HD1      ILE  52   8.218  -0.842   5.929
  406    H    ASN  53           H        ASN  53   8.420   1.931   9.701
  407    HA   ASN  53           HA       ASN  53   9.893   1.001  11.934
  408   1HB   ASN  53          2HB       ASN  53   9.731   3.384  11.302
  409   2HB   ASN  53          3HB       ASN  53   8.022   3.369  11.727
  410   1HD2  ASN  53          1HD2      ASN  53   7.635   4.258  13.608
  411   2HD2  ASN  53          2HD2      ASN  53   8.677   4.219  14.995
  412    H    GLU  54           H        GLU  54   6.484   1.008  11.135
  413    HA   GLU  54           HA       GLU  54   6.001  -0.720  13.388
  414   1HB   GLU  54          2HB       GLU  54   4.376   1.805  12.999
  415   2HB   GLU  54          3HB       GLU  54   3.958   0.501  14.096
  416   1HG   GLU  54          2HG       GLU  54   5.992   0.942  15.380
  417   2HG   GLU  54          3HG       GLU  54   6.384   2.269  14.284
  418    H    GLY  55           H        GLY  55   6.032  -0.626  10.362
  419   1HA   GLY  55          1HA       GLY  55   3.197  -1.150   9.836
  420   2HA   GLY  55          2HA       GLY  55   4.386  -0.646   8.648
  421    HA   PRO  56           HA       PRO  56   4.675  -5.384   9.001
  422   1HB   PRO  56          2HB       PRO  56   2.794  -6.697  10.358
  423   2HB   PRO  56          3HB       PRO  56   4.153  -5.945  11.197
  424   1HG   PRO  56          2HG       PRO  56   1.321  -5.051  10.998
  425   2HG   PRO  56          3HG       PRO  56   2.469  -4.872  12.335
  426   1HD   PRO  56          2HD       PRO  56   1.814  -2.923  10.392
  427   2HD   PRO  56          3HD       PRO  56   3.135  -2.842  11.571
  428    H    LEU  57           H        LEU  57   2.949  -3.518   7.458
  429    HA   LEU  57           HA       LEU  57   1.471  -5.486   5.927
  430   1HB   LEU  57          2HB       LEU  57   0.170  -3.165   7.324
  431   2HB   LEU  57          3HB       LEU  57  -0.532  -3.867   5.880
  432    HG   LEU  57           HG       LEU  57   0.036  -5.441   8.394
  433   1HD1  LEU  57          1HD1      LEU  57  -2.124  -3.602   7.751
  434   2HD1  LEU  57          2HD1      LEU  57  -2.698  -5.226   8.129
  435   3HD1  LEU  57          3HD1      LEU  57  -1.695  -4.354   9.288
  436   1HD2  LEU  57          1HD2      LEU  57  -0.085  -6.891   6.527
  437   2HD2  LEU  57          2HD2      LEU  57  -1.657  -6.977   7.322
  438   3HD2  LEU  57          3HD2      LEU  57  -1.461  -6.024   5.850
  439    HA   PRO  58           HA       PRO  58   2.000  -1.720   3.215
  440   1HB   PRO  58          2HB       PRO  58   1.919   0.759   4.196
  441   2HB   PRO  58          3HB       PRO  58   0.504  -0.299   4.244
  442   1HG   PRO  58          2HG       PRO  58   2.237   0.609   6.442
  443   2HG   PRO  58          3HG       PRO  58   0.588  -0.031   6.504
  444   1HD   PRO  58          2HD       PRO  58   3.113  -1.425   6.932
  445   2HD   PRO  58          3HD       PRO  58   1.457  -2.004   7.221
  446    HA   PRO  59           HA       PRO  59   6.557  -0.531   3.969
  447   1HB   PRO  59          2HB       PRO  59   7.609  -2.976   2.990
  448   2HB   PRO  59          3HB       PRO  59   7.651  -2.411   4.658
  449   1HG   PRO  59          2HG       PRO  59   6.261  -4.639   3.723
  450   2HG   PRO  59          3HG       PRO  59   6.004  -3.832   5.279
  451   1HD   PRO  59          2HD       PRO  59   4.474  -3.570   2.727
  452   2HD   PRO  59          3HD       PRO  59   3.888  -3.549   4.405
  453    H    GLY  60           H        GLY  60   4.685  -0.013   1.954
  454   1HA   GLY  60          1HA       GLY  60   4.628   0.580  -0.279
  455   2HA   GLY  60          2HA       GLY  60   6.274  -0.019  -0.451
  456    H    TRP  61           H        TRP  61   3.873  -2.000   0.970
  457    HA   TRP  61           HA       TRP  61   3.701  -3.651  -1.469
  458   1HB   TRP  61          2HB       TRP  61   3.603  -4.380   1.468
  459   2HB   TRP  61          3HB       TRP  61   2.907  -5.431   0.242
  460    HD1  TRP  61           HD1      TRP  61   6.334  -3.633   0.486
  461    HE1  TRP  61           HE1      TRP  61   8.146  -5.296  -0.123
  462    HE3  TRP  61           HE3      TRP  61   3.356  -7.679  -0.256
  463    HZ2  TRP  61           HZ2      TRP  61   8.302  -8.134  -0.691
  464    HZ3  TRP  61           HZ3      TRP  61   4.374  -9.818  -0.855
  465    HH2  TRP  61           HH2      TRP  61   6.805 -10.055  -1.052
  466    H    GLU  62           H        GLU  62   1.523  -4.713  -1.669
  467    HA   GLU  62           HA       GLU  62  -0.543  -3.056  -0.383
  468   1HB   GLU  62          2HB       GLU  62  -0.391  -2.411  -2.714
  469   2HB   GLU  62          3HB       GLU  62  -0.501  -4.093  -3.223
  470   1HG   GLU  62          2HG       GLU  62  -2.764  -4.196  -2.212
  471   2HG   GLU  62          3HG       GLU  62  -2.646  -2.475  -1.865
  472    H    ILE  63           H        ILE  63  -2.303  -4.025   0.360
  473    HA   ILE  63           HA       ILE  63  -2.419  -6.934   0.388
  474    HB   ILE  63           HB       ILE  63  -4.588  -6.600   1.633
  475   1HG1  ILE  63          2HG1      ILE  63  -3.645  -3.730   1.867
  476   2HG1  ILE  63          3HG1      ILE  63  -4.964  -4.254   0.824
  477   1HG2  ILE  63          1HG2      ILE  63  -2.293  -6.995   2.647
  478   2HG2  ILE  63          2HG2      ILE  63  -2.289  -5.275   3.039
  479   3HG2  ILE  63          3HG2      ILE  63  -3.532  -6.329   3.711
  480   1HD1  ILE  63          1HD1      ILE  63  -6.168  -3.611   2.625
  481   2HD1  ILE  63          2HD1      ILE  63  -5.844  -5.274   3.108
  482   3HD1  ILE  63          3HD1      ILE  63  -4.868  -3.961   3.762
  483    H    ARG  64           H        ARG  64  -3.594  -8.021  -1.070
  484    HA   ARG  64           HA       ARG  64  -5.303  -6.439  -2.867
  485   1HB   ARG  64          2HB       ARG  64  -3.217  -7.540  -3.906
  486   2HB   ARG  64          3HB       ARG  64  -4.018  -9.073  -3.605
  487   1HG   ARG  64          2HG       ARG  64  -5.246  -6.870  -5.243
  488   2HG   ARG  64          3HG       ARG  64  -4.245  -8.149  -5.927
  489   1HD   ARG  64          2HD       ARG  64  -6.851  -8.487  -4.450
  490   2HD   ARG  64          3HD       ARG  64  -6.577  -8.715  -6.177
  491    HE   ARG  64           HE       ARG  64  -6.056 -10.588  -4.090
  492   1HH1  ARG  64          2HH1      ARG  64  -5.063  -9.580  -7.298
  493   2HH1  ARG  64          1HH1      ARG  64  -4.266 -11.083  -7.662
  494   1HH2  ARG  64          2HH2      ARG  64  -5.008 -12.559  -4.568
  495   2HH2  ARG  64          1HH2      ARG  64  -4.251 -12.779  -6.113
  496    H    TYR  65           H        TYR  65  -7.372  -6.849  -2.407
  497    HA   TYR  65           HA       TYR  65  -7.987  -9.345  -1.021
  498   1HB   TYR  65          2HB       TYR  65 -10.195  -8.183  -0.540
  499   2HB   TYR  65          3HB       TYR  65  -8.768  -7.466   0.196
  500    HD1  TYR  65           HD1      TYR  65  -8.071  -5.255  -0.362
  501    HD2  TYR  65           HD2      TYR  65 -11.300  -7.059  -2.462
  502    HE1  TYR  65           HE1      TYR  65  -8.661  -3.069  -1.317
  503    HE2  TYR  65           HE2      TYR  65 -11.895  -4.878  -3.431
  504    HH   TYR  65           HH       TYR  65 -10.578  -1.936  -2.279
  505    H    THR  66           H        THR  66  -9.154 -10.935  -1.906
  506    HA   THR  66           HA       THR  66 -10.193 -10.529  -4.611
  507    HB   THR  66           HB       THR  66 -10.501 -13.066  -4.478
  508    HG1  THR  66           HG1      THR  66  -9.644 -14.124  -2.782
  509   1HG2  THR  66          1HG2      THR  66  -7.865 -13.370  -4.541
  510   2HG2  THR  66          2HG2      THR  66  -7.909 -11.605  -4.576
  511   3HG2  THR  66          3HG2      THR  66  -8.729 -12.534  -5.832
  512    H    ALA  67           H        ALA  67 -12.332 -10.883  -5.051
  513    HA   ALA  67           HA       ALA  67 -14.231  -9.948  -3.511
  514   1HB   ALA  67          1HB       ALA  67 -14.410 -10.774  -5.910
  515   2HB   ALA  67          2HB       ALA  67 -14.949 -12.305  -5.218
  516   3HB   ALA  67          3HB       ALA  67 -15.870 -10.829  -4.922
  517    H    ALA  68           H        ALA  68 -13.171 -13.317  -3.184
  518    HA   ALA  68           HA       ALA  68 -15.266 -14.148  -1.477
  519   1HB   ALA  68          1HB       ALA  68 -12.996 -15.625  -0.771
  520   2HB   ALA  68          2HB       ALA  68 -14.251 -16.074  -1.925
  521   3HB   ALA  68          3HB       ALA  68 -12.802 -15.240  -2.479
  522    H    GLY  69           H        GLY  69 -12.788 -11.967  -0.970
  523   1HA   GLY  69          1HA       GLY  69 -12.695 -10.574   0.924
  524   2HA   GLY  69          2HA       GLY  69 -13.445 -11.846   1.874
  525    H    GLU  70           H        GLU  70 -10.725 -12.534  -0.195
  526    HA   GLU  70           HA       GLU  70  -9.114 -12.985   2.226
  527   1HB   GLU  70          2HB       GLU  70  -9.459 -14.925   0.696
  528   2HB   GLU  70          3HB       GLU  70  -8.622 -14.032  -0.568
  529   1HG   GLU  70          2HG       GLU  70  -7.034 -15.499   0.349
  530   2HG   GLU  70          3HG       GLU  70  -6.649 -13.907   0.999
  531    H    ARG  71           H        ARG  71  -7.353 -11.783   2.616
  532    HA   ARG  71           HA       ARG  71  -6.562  -9.846   0.556
  533   1HB   ARG  71          2HB       ARG  71  -6.037  -9.887   3.535
  534   2HB   ARG  71          3HB       ARG  71  -5.312  -8.723   2.435
  535   1HG   ARG  71          2HG       ARG  71  -7.109  -7.560   3.291
  536   2HG   ARG  71          3HG       ARG  71  -7.749  -8.180   1.768
  537   1HD   ARG  71          2HD       ARG  71  -8.615 -10.151   3.146
  538   2HD   ARG  71          3HD       ARG  71  -8.269  -9.158   4.561
  539    HE   ARG  71           HE       ARG  71  -9.837  -7.729   2.666
  540   1HH1  ARG  71          2HH1      ARG  71  -9.991 -10.049   5.286
  541   2HH1  ARG  71          1HH1      ARG  71 -11.718  -9.909   5.477
  542   1HH2  ARG  71          2HH2      ARG  71 -12.111  -7.545   2.900
  543   2HH2  ARG  71          1HH2      ARG  71 -12.915  -8.471   4.131
  544    H    PHE  72           H        PHE  72  -4.663 -10.015  -0.455
  545    HA   PHE  72           HA       PHE  72  -2.704 -11.957   0.558
  546   1HB   PHE  72          2HB       PHE  72  -3.148 -11.088  -2.317
  547   2HB   PHE  72          3HB       PHE  72  -1.914 -12.211  -1.763
  548    HD1  PHE  72           HD1      PHE  72  -5.584 -11.744  -2.032
  549    HD2  PHE  72           HD2      PHE  72  -2.362 -14.490  -1.598
  550    HE1  PHE  72           HE1      PHE  72  -7.140 -13.619  -2.381
  551    HE2  PHE  72           HE2      PHE  72  -3.907 -16.369  -1.951
  552    HZ   PHE  72           HZ       PHE  72  -6.300 -15.935  -2.343
  553    H    PHE  73           H        PHE  73  -0.465 -11.276  -0.571
  554    HA   PHE  73           HA       PHE  73  -0.094  -8.408  -0.043
  555   1HB   PHE  73          2HB       PHE  73   1.786 -10.747   0.189
  556   2HB   PHE  73          3HB       PHE  73   2.389  -9.100   0.045
  557    HD1  PHE  73           HD1      PHE  73   1.952  -7.462   1.819
  558    HD2  PHE  73           HD2      PHE  73   0.830 -11.547   2.212
  559    HE1  PHE  73           HE1      PHE  73   1.766  -7.173   4.255
  560    HE2  PHE  73           HE2      PHE  73   0.635 -11.263   4.646
  561    HZ   PHE  73           HZ       PHE  73   1.103  -9.074   5.671
  562    H    VAL  74           H        VAL  74   1.208  -7.228  -1.458
  563    HA   VAL  74           HA       VAL  74   1.864  -8.441  -4.048
  564    HB   VAL  74           HB       VAL  74   0.287  -5.869  -3.750
  565   1HG1  VAL  74          1HG1      VAL  74   0.519  -5.469  -6.020
  566   2HG1  VAL  74          2HG1      VAL  74   2.122  -6.056  -5.581
  567   3HG1  VAL  74          3HG1      VAL  74   0.973  -7.135  -6.373
  568   1HG2  VAL  74          1HG2      VAL  74  -1.446  -7.299  -3.749
  569   2HG2  VAL  74          2HG2      VAL  74  -1.112  -7.442  -5.476
  570   3HG2  VAL  74          3HG2      VAL  74  -0.469  -8.640  -4.349
  571    H    ASP  75           H        ASP  75   3.912  -7.978  -4.535
  572    HA   ASP  75           HA       ASP  75   5.077  -5.499  -3.450
  573   1HB   ASP  75          2HB       ASP  75   7.109  -6.541  -3.133
  574   2HB   ASP  75          3HB       ASP  75   6.017  -7.879  -2.815
  575    H    HIS  76           H        HIS  76   6.074  -4.098  -4.860
  576    HA   HIS  76           HA       HIS  76   5.553  -4.651  -7.655
  577   1HB   HIS  76          2HB       HIS  76   5.846  -2.347  -8.121
  578   2HB   HIS  76          3HB       HIS  76   4.936  -2.457  -6.626
  579    HD1  HIS  76           HD1      HIS  76   6.090   0.168  -7.083
  580    HD2  HIS  76           HD2      HIS  76   8.349  -2.854  -5.322
  581    HE1  HIS  76           HE1      HIS  76   7.921   1.333  -5.803
  582    HE2  HIS  76           HE2      HIS  76   9.393  -0.516  -4.937
  583    H    ASN  77           H        ASN  77   8.163  -5.150  -5.709
  584    HA   ASN  77           HA       ASN  77  10.300  -4.316  -7.412
  585   1HB   ASN  77          2HB       ASN  77  10.650  -6.585  -5.501
  586   2HB   ASN  77          3HB       ASN  77  11.707  -5.211  -5.814
  587   1HD2  ASN  77          1HD2      ASN  77   9.504  -6.563  -3.733
  588   2HD2  ASN  77          2HD2      ASN  77   9.184  -5.174  -2.749
  589    H    THR  78           H        THR  78   8.660  -7.339  -6.796
  590    HA   THR  78           HA       THR  78  10.007  -8.538  -9.135
  591    HB   THR  78           HB       THR  78   8.495 -10.189  -7.151
  592    HG1  THR  78           HG1      THR  78   9.853  -8.948  -5.836
  593   1HG2  THR  78          1HG2      THR  78  11.127 -10.993  -8.206
  594   2HG2  THR  78          2HG2      THR  78   9.854 -10.806  -9.413
  595   3HG2  THR  78          3HG2      THR  78   9.632 -11.918  -8.061
  596    H    ARG  79           H        ARG  79   7.135  -7.185  -8.123
  597    HA   ARG  79           HA       ARG  79   5.052  -7.015  -9.025
  598   1HB   ARG  79          2HB       ARG  79   6.693  -7.360 -11.207
  599   2HB   ARG  79          3HB       ARG  79   5.550  -8.681 -11.400
  600   1HG   ARG  79          2HG       ARG  79   4.605  -5.883 -10.914
  601   2HG   ARG  79          3HG       ARG  79   5.052  -6.433 -12.529
  602   1HD   ARG  79          2HD       ARG  79   3.413  -8.251 -12.348
  603   2HD   ARG  79          3HD       ARG  79   2.953  -7.664 -10.749
  604    HE   ARG  79           HE       ARG  79   2.690  -5.505 -12.449
  605   1HH1  ARG  79          2HH1      ARG  79   1.321  -8.732 -12.292
  606   2HH1  ARG  79          1HH1      ARG  79  -0.207  -8.251 -12.972
  607   1HH2  ARG  79          2HH2      ARG  79   0.690  -4.872 -13.332
  608   2HH2  ARG  79          1HH2      ARG  79  -0.580  -6.048 -13.523
  609    H    ARG  80           H        ARG  80   5.029  -8.626  -7.113
  610    HA   ARG  80           HA       ARG  80   3.895 -11.196  -8.027
  611   1HB   ARG  80          2HB       ARG  80   5.627 -10.652  -5.616
  612   2HB   ARG  80          3HB       ARG  80   4.818 -12.176  -5.934
  613   1HG   ARG  80          2HG       ARG  80   6.155 -12.487  -7.937
  614   2HG   ARG  80          3HG       ARG  80   6.947 -10.930  -7.659
  615   1HD   ARG  80          2HD       ARG  80   7.059 -13.385  -5.912
  616   2HD   ARG  80          3HD       ARG  80   8.385 -12.656  -6.821
  617    HE   ARG  80           HE       ARG  80   7.387 -10.703  -5.092
  618   1HH1  ARG  80          2HH1      ARG  80   8.987 -13.814  -4.845
  619   2HH1  ARG  80          1HH1      ARG  80   9.749 -13.441  -3.328
  620   1HH2  ARG  80          2HH2      ARG  80   8.368 -10.206  -3.133
  621   2HH2  ARG  80          1HH2      ARG  80   9.396 -11.367  -2.340
  622    H    THR  81           H        THR  81   2.161 -12.002  -6.976
  623    HA   THR  81           HA       THR  81   1.216 -10.537  -4.622
  624    HB   THR  81           HB       THR  81  -0.462 -10.323  -6.459
  625    HG1  THR  81           HG1      THR  81  -0.960 -10.599  -4.097
  626   1HG2  THR  81          1HG2      THR  81  -1.563 -12.958  -6.351
  627   2HG2  THR  81          2HG2      THR  81   0.119 -13.058  -6.867
  628   3HG2  THR  81          3HG2      THR  81  -1.017 -12.045  -7.756
  629    H    THR  82           H        THR  82   0.633 -11.890  -2.877
  630    HA   THR  82           HA       THR  82   1.070 -14.751  -3.025
  631    HB   THR  82           HB       THR  82   3.347 -14.016  -3.168
  632    HG1  THR  82           HG1      THR  82   4.072 -14.701  -0.918
  633   1HG2  THR  82          1HG2      THR  82   2.460 -11.949  -1.320
  634   2HG2  THR  82          2HG2      THR  82   3.813 -11.953  -2.452
  635   3HG2  THR  82          3HG2      THR  82   3.998 -12.676  -0.854
  636    H    PHE  83           H        PHE  83   0.695 -15.810  -0.975
  637    HA   PHE  83           HA       PHE  83  -1.399 -14.660   0.483
  638   1HB   PHE  83          2HB       PHE  83  -0.975 -17.105   0.275
  639   2HB   PHE  83          3HB       PHE  83   0.392 -16.934   1.372
  640    HD1  PHE  83           HD1      PHE  83  -3.184 -15.843   1.306
  641    HD2  PHE  83           HD2      PHE  83  -0.017 -17.647   3.504
  642    HE1  PHE  83           HE1      PHE  83  -4.690 -16.133   3.230
  643    HE2  PHE  83           HE2      PHE  83  -1.517 -17.942   5.431
  644    HZ   PHE  83           HZ       PHE  83  -3.858 -17.188   5.295
  645    H    GLU  84           H        GLU  84   2.031 -14.986   1.282
  646    HA   GLU  84           HA       GLU  84   1.703 -12.846   3.248
  647   1HB   GLU  84          2HB       GLU  84   3.321 -14.107   4.764
  648   2HB   GLU  84          3HB       GLU  84   1.668 -14.699   4.696
  649   1HG   GLU  84          2HG       GLU  84   2.366 -16.456   3.144
  650   2HG   GLU  84          3HG       GLU  84   4.023 -15.856   3.222
  651    H    ASP  85           H        ASP  85   4.686 -14.175   3.632
  652    HA   ASP  85           HA       ASP  85   6.708 -14.086   2.610
  653   1HB   ASP  85          2HB       ASP  85   5.287 -12.463   0.572
  654   2HB   ASP  85          3HB       ASP  85   7.038 -12.320   0.673
  655    HA   PRO  86           HA       PRO  86   8.125  -9.703   3.362
  656   1HB   PRO  86          2HB       PRO  86   6.412  -7.664   3.948
  657   2HB   PRO  86          3HB       PRO  86   6.958  -8.068   2.318
  658   1HG   PRO  86          2HG       PRO  86   4.380  -8.682   3.664
  659   2HG   PRO  86          3HG       PRO  86   4.701  -8.295   1.965
  660   1HD   PRO  86          2HD       PRO  86   4.235 -10.827   2.913
  661   2HD   PRO  86          3HD       PRO  86   5.151 -10.470   1.438
  662    H    ARG  87           H        ARG  87   5.150  -9.719   5.374
  663    HA   ARG  87           HA       ARG  87   6.729 -10.327   7.705
  664   1HB   ARG  87          2HB       ARG  87   6.796  -7.754   7.283
  665   2HB   ARG  87          3HB       ARG  87   5.131  -7.785   7.851
  666   1HG   ARG  87          2HG       ARG  87   5.953  -8.930   9.917
  667   2HG   ARG  87          3HG       ARG  87   7.594  -8.618   9.355
  668   1HD   ARG  87          2HD       ARG  87   5.481  -6.577  10.018
  669   2HD   ARG  87          3HD       ARG  87   6.938  -6.927  10.940
  670    HE   ARG  87           HE       ARG  87   7.464  -6.096   8.234
  671   1HH1  ARG  87          2HH1      ARG  87   6.878  -5.050  11.525
  672   2HH1  ARG  87          1HH1      ARG  87   7.603  -3.486  11.303
  673   1HH2  ARG  87          2HH2      ARG  87   8.387  -4.020   7.917
  674   2HH2  ARG  87          1HH2      ARG  87   8.465  -2.902   9.246
  675    HA   PRO  88           HA       PRO  88   2.817 -12.253   8.547
  676   1HB   PRO  88          2HB       PRO  88   3.382 -13.162  11.038
  677   2HB   PRO  88          3HB       PRO  88   4.025 -13.913   9.574
  678   1HG   PRO  88          2HG       PRO  88   5.345 -12.020  11.472
  679   2HG   PRO  88          3HG       PRO  88   6.012 -13.452  10.667
  680   1HD   PRO  88          2HD       PRO  88   6.469 -10.900   9.815
  681   2HD   PRO  88          3HD       PRO  88   6.464 -12.304   8.732
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -27.151   9.909   5.790
    2   2H    GLY   1          2H        GLY   1 -26.079  11.101   5.244
    3   3H    GLY   1          3H        GLY   1 -26.296   9.677   4.346
    4   1HA   GLY   1          2HA       GLY   1 -28.797  10.496   4.396
    5   2HA   GLY   1          1HA       GLY   1 -27.980  12.049   4.514
    6    H    SER   2           H        SER   2 -28.769  12.632   2.451
    7    HA   SER   2           HA       SER   2 -28.288  11.059   0.149
    8   1HB   SER   2          2HB       SER   2 -28.775  14.037   0.188
    9   2HB   SER   2          3HB       SER   2 -29.175  12.887  -1.092
   10    HG   SER   2           HG       SER   2 -30.970  13.512   0.298
   11    HA   PRO   3           HA       PRO   3 -24.464  13.760  -0.746
   12   1HB   PRO   3          2HB       PRO   3 -23.933  15.696   1.283
   13   2HB   PRO   3          3HB       PRO   3 -24.482  15.995  -0.368
   14   1HG   PRO   3          2HG       PRO   3 -25.967  16.484   1.920
   15   2HG   PRO   3          3HG       PRO   3 -26.635  16.298   0.289
   16   1HD   PRO   3          2HD       PRO   3 -26.485  14.314   2.519
   17   2HD   PRO   3          3HD       PRO   3 -27.780  14.585   1.331
   18    H    GLU   4           H        GLU   4 -24.589  11.495   0.747
   19    HA   GLU   4           HA       GLU   4 -22.040  11.451   2.071
   20   1HB   GLU   4          2HB       GLU   4 -23.581  12.290   3.843
   21   2HB   GLU   4          3HB       GLU   4 -24.552  10.838   3.648
   22   1HG   GLU   4          2HG       GLU   4 -22.627   9.480   4.315
   23   2HG   GLU   4          3HG       GLU   4 -21.689  10.953   4.555
   24    H    PHE   5           H        PHE   5 -21.187   9.436   2.003
   25    HA   PHE   5           HA       PHE   5 -22.688   7.071   1.942
   26   1HB   PHE   5          2HB       PHE   5 -22.123   6.288  -0.342
   27   2HB   PHE   5          3HB       PHE   5 -23.220   7.659  -0.363
   28    HD1  PHE   5           HD1      PHE   5 -22.672   9.634  -1.504
   29    HD2  PHE   5           HD2      PHE   5 -19.687   6.664  -0.877
   30    HE1  PHE   5           HE1      PHE   5 -21.186  10.799  -3.078
   31    HE2  PHE   5           HE2      PHE   5 -18.190   7.835  -2.439
   32    HZ   PHE   5           HZ       PHE   5 -18.939   9.902  -3.546
   33    H    HIS   6           H        HIS   6 -21.357   5.306   2.341
   34    HA   HIS   6           HA       HIS   6 -18.686   6.024   3.149
   35   1HB   HIS   6          2HB       HIS   6 -20.136   4.450   4.469
   36   2HB   HIS   6          3HB       HIS   6 -19.946   3.274   3.172
   37    HD1  HIS   6           HD1      HIS   6 -17.508   5.405   5.204
   38    HD2  HIS   6           HD2      HIS   6 -18.029   1.500   3.860
   39    HE1  HIS   6           HE1      HIS   6 -15.500   4.127   6.028
   40    HE2  HIS   6           HE2      HIS   6 -15.797   1.779   5.149
   41    H    MET   7           H        MET   7 -16.826   5.519   2.171
   42    HA   MET   7           HA       MET   7 -16.710   3.669  -0.051
   43   1HB   MET   7          2HB       MET   7 -17.527   5.721  -1.129
   44   2HB   MET   7          3HB       MET   7 -16.183   6.625  -0.445
   45   1HG   MET   7          2HG       MET   7 -14.631   5.177  -1.725
   46   2HG   MET   7          3HG       MET   7 -16.029   4.420  -2.485
   47   1HE   MET   7          1HE       MET   7 -13.890   7.968  -2.457
   48   2HE   MET   7          2HE       MET   7 -15.341   8.932  -2.736
   49   3HE   MET   7          3HE       MET   7 -15.228   7.900  -1.310
   50    H    ASP   8           H        ASP   8 -15.078   6.286   1.712
   51    HA   ASP   8           HA       ASP   8 -12.467   5.446   1.169
   52   1HB   ASP   8          2HB       ASP   8 -11.765   7.052   2.741
   53   2HB   ASP   8          3HB       ASP   8 -13.266   7.697   2.088
   54    H    ALA   9           H        ALA   9 -10.914   4.944   3.004
   55    HA   ALA   9           HA       ALA   9 -10.081   3.541   4.588
   56   1HB   ALA   9          1HB       ALA   9 -11.400   3.443   6.366
   57   2HB   ALA   9          2HB       ALA   9 -12.847   3.659   5.382
   58   3HB   ALA   9          3HB       ALA   9 -12.183   2.044   5.633
   59    H    LEU  10           H        LEU  10 -12.943   1.790   3.296
   60    HA   LEU  10           HA       LEU  10 -11.407  -0.550   2.771
   61   1HB   LEU  10          2HB       LEU  10 -13.400  -1.424   1.733
   62   2HB   LEU  10          3HB       LEU  10 -13.824  -0.596   3.213
   63    HG   LEU  10           HG       LEU  10 -14.269   1.404   1.473
   64   1HD1  LEU  10          1HD1      LEU  10 -14.949  -1.097  -0.066
   65   2HD1  LEU  10          2HD1      LEU  10 -15.335   0.560  -0.528
   66   3HD1  LEU  10          3HD1      LEU  10 -13.654   0.028  -0.470
   67   1HD2  LEU  10          1HD2      LEU  10 -16.121   1.113   2.678
   68   2HD2  LEU  10          2HD2      LEU  10 -16.658   0.054   1.372
   69   3HD2  LEU  10          3HD2      LEU  10 -15.875  -0.630   2.797
   70    H    GLY  11           H        GLY  11 -12.545   2.142   0.876
   71   1HA   GLY  11          1HA       GLY  11 -11.074   1.167  -1.473
   72   2HA   GLY  11          2HA       GLY  11 -12.299   2.429  -1.483
   73    HA   PRO  12           HA       PRO  12  -8.701   5.085  -1.793
   74   1HB   PRO  12          2HB       PRO  12 -10.697   7.234  -1.604
   75   2HB   PRO  12          3HB       PRO  12  -9.564   6.867  -2.909
   76   1HG   PRO  12          2HG       PRO  12 -12.212   6.447  -3.155
   77   2HG   PRO  12          3HG       PRO  12 -11.012   5.399  -3.931
   78   1HD   PRO  12          2HD       PRO  12 -12.609   4.937  -1.444
   79   2HD   PRO  12          3HD       PRO  12 -12.181   3.799  -2.738
   80    H    LEU  13           H        LEU  13  -7.522   6.284  -0.377
   81    HA   LEU  13           HA       LEU  13  -6.795   7.122   1.596
   82   1HB   LEU  13          2HB       LEU  13  -9.675   7.990   1.818
   83   2HB   LEU  13          3HB       LEU  13  -8.387   8.556   2.862
   84    HG   LEU  13           HG       LEU  13  -8.520   8.995  -0.125
   85   1HD1  LEU  13          1HD1      LEU  13  -9.740  10.391   2.080
   86   2HD1  LEU  13          2HD1      LEU  13  -8.597  11.429   1.226
   87   3HD1  LEU  13          3HD1      LEU  13  -9.914  10.655   0.345
   88   1HD2  LEU  13          1HD2      LEU  13  -6.616  10.056   1.957
   89   2HD2  LEU  13          2HD2      LEU  13  -6.235   8.893   0.689
   90   3HD2  LEU  13          3HD2      LEU  13  -6.665  10.549   0.264
   91    HA   PRO  14           HA       PRO  14  -8.500   3.411   3.943
   92   1HB   PRO  14          2HB       PRO  14  -5.627   2.764   4.109
   93   2HB   PRO  14          3HB       PRO  14  -6.984   1.733   3.641
   94   1HG   PRO  14          2HG       PRO  14  -5.201   2.608   1.839
   95   2HG   PRO  14          3HG       PRO  14  -6.918   2.424   1.438
   96   1HD   PRO  14          2HD       PRO  14  -5.380   4.910   2.089
   97   2HD   PRO  14          3HD       PRO  14  -6.624   4.646   0.849
   98    H    ASP  15           H        ASP  15  -5.372   5.010   4.498
   99    HA   ASP  15           HA       ASP  15  -6.340   6.121   6.992
  100   1HB   ASP  15          2HB       ASP  15  -5.336   3.834   7.529
  101   2HB   ASP  15          3HB       ASP  15  -3.784   4.505   7.045
  102    H    GLY  16           H        GLY  16  -5.418   6.934   4.300
  103   1HA   GLY  16          1HA       GLY  16  -4.464   9.357   4.508
  104   2HA   GLY  16          2HA       GLY  16  -3.014   8.472   4.963
  105    H    TRP  17           H        TRP  17  -3.667   6.294   3.084
  106    HA   TRP  17           HA       TRP  17  -2.070   7.238   1.002
  107   1HB   TRP  17          2HB       TRP  17  -3.671   4.740   1.397
  108   2HB   TRP  17          3HB       TRP  17  -2.920   5.052  -0.162
  109    HD1  TRP  17           HD1      TRP  17  -2.269   3.015   2.599
  110    HE1  TRP  17           HE1      TRP  17   0.241   2.632   3.000
  111    HE3  TRP  17           HE3      TRP  17  -0.381   6.890  -0.182
  112    HZ2  TRP  17           HZ2      TRP  17   2.682   3.803   2.278
  113    HZ3  TRP  17           HZ3      TRP  17   2.058   7.180  -0.249
  114    HH2  TRP  17           HH2      TRP  17   3.554   5.670   0.949
  115    H    GLU  18           H        GLU  18  -2.431   7.958  -0.959
  116    HA   GLU  18           HA       GLU  18  -5.081   7.758  -2.188
  117   1HB   GLU  18          2HB       GLU  18  -4.809  10.008  -1.193
  118   2HB   GLU  18          3HB       GLU  18  -3.308  10.214  -2.080
  119   1HG   GLU  18          2HG       GLU  18  -4.500  10.184  -4.178
  120   2HG   GLU  18          3HG       GLU  18  -6.017   9.864  -3.336
  121    H    LYS  19           H        LYS  19  -4.649   6.409  -3.801
  122    HA   LYS  19           HA       LYS  19  -2.072   6.670  -5.186
  123   1HB   LYS  19          2HB       LYS  19  -2.460   4.262  -5.835
  124   2HB   LYS  19          3HB       LYS  19  -2.180   4.566  -4.130
  125   1HG   LYS  19          2HG       LYS  19  -3.904   3.084  -4.009
  126   2HG   LYS  19          3HG       LYS  19  -4.808   4.600  -4.030
  127   1HD   LYS  19          2HD       LYS  19  -5.066   4.344  -6.490
  128   2HD   LYS  19          3HD       LYS  19  -4.282   2.768  -6.373
  129   1HE   LYS  19          2HE       LYS  19  -6.051   1.959  -4.935
  130   2HE   LYS  19          3HE       LYS  19  -6.812   3.551  -4.933
  131   1HZ   LYS  19          1HZ       LYS  19  -7.764   1.831  -6.501
  132   2HZ   LYS  19          2HZ       LYS  19  -6.361   2.023  -7.431
  133   3HZ   LYS  19          3HZ       LYS  19  -7.395   3.343  -7.178
  134    H    LYS  20           H        LYS  20  -1.984   7.244  -7.232
  135    HA   LYS  20           HA       LYS  20  -4.442   7.053  -8.847
  136   1HB   LYS  20          2HB       LYS  20  -3.958   9.355  -8.103
  137   2HB   LYS  20          3HB       LYS  20  -2.375   9.255  -8.860
  138   1HG   LYS  20          2HG       LYS  20  -3.920  10.491 -10.254
  139   2HG   LYS  20          3HG       LYS  20  -3.433   8.991 -11.044
  140   1HD   LYS  20          2HD       LYS  20  -5.518   7.936 -10.344
  141   2HD   LYS  20          3HD       LYS  20  -6.005   9.425  -9.529
  142   1HE   LYS  20          2HE       LYS  20  -5.450   9.165 -12.479
  143   2HE   LYS  20          3HE       LYS  20  -7.054   9.142 -11.749
  144   1HZ   LYS  20          1HZ       LYS  20  -6.876  11.324 -12.309
  145   2HZ   LYS  20          2HZ       LYS  20  -5.194  11.382 -12.093
  146   3HZ   LYS  20          3HZ       LYS  20  -6.221  11.397 -10.745
  147    H    ILE  21           H        ILE  21  -4.208   5.827 -10.615
  148    HA   ILE  21           HA       ILE  21  -1.621   4.966 -11.461
  149    HB   ILE  21           HB       ILE  21  -3.503   3.441 -11.584
  150   1HG1  ILE  21          2HG1      ILE  21  -2.509   4.147 -14.356
  151   2HG1  ILE  21          3HG1      ILE  21  -1.627   3.177 -13.180
  152   1HG2  ILE  21          1HG2      ILE  21  -4.935   4.215 -13.853
  153   2HG2  ILE  21          2HG2      ILE  21  -5.503   4.193 -12.182
  154   3HG2  ILE  21          3HG2      ILE  21  -4.805   5.666 -12.858
  155   1HD1  ILE  21          1HD1      ILE  21  -3.122   2.128 -15.122
  156   2HD1  ILE  21          2HD1      ILE  21  -2.876   1.339 -13.564
  157   3HD1  ILE  21          3HD1      ILE  21  -4.347   2.262 -13.862
  158    H    GLN  22           H        GLN  22  -0.417   5.579 -13.137
  159    HA   GLN  22           HA       GLN  22  -1.252   7.893 -14.738
  160   1HB   GLN  22          2HB       GLN  22   0.839   8.178 -13.450
  161   2HB   GLN  22          3HB       GLN  22   1.502   6.737 -14.200
  162   1HG   GLN  22          2HG       GLN  22   2.431   8.731 -15.199
  163   2HG   GLN  22          3HG       GLN  22   1.465   7.843 -16.374
  164   1HE2  GLN  22          1HE2      GLN  22   0.513   9.208 -17.671
  165   2HE2  GLN  22          2HE2      GLN  22  -0.296  10.670 -17.202
  166    H    SER  23           H        SER  23  -1.035   7.728 -17.022
  167    HA   SER  23           HA       SER  23  -1.895   5.345 -18.101
  168   1HB   SER  23          2HB       SER  23  -2.121   7.672 -19.061
  169   2HB   SER  23          3HB       SER  23  -0.483   7.489 -19.691
  170    HG   SER  23           HG       SER  23  -1.188   5.745 -20.927
  171    H    ASP  24           H        ASP  24   1.266   5.930 -17.140
  172    HA   ASP  24           HA       ASP  24   2.558   4.225 -19.117
  173   1HB   ASP  24          2HB       ASP  24   3.536   5.517 -16.567
  174   2HB   ASP  24          3HB       ASP  24   4.498   4.334 -17.441
  175    H    ASN  25           H        ASN  25   0.574   3.886 -16.519
  176    HA   ASN  25           HA       ASN  25  -0.286   2.046 -15.490
  177   1HB   ASN  25          2HB       ASN  25   1.088   0.730 -17.407
  178   2HB   ASN  25          3HB       ASN  25   2.000   0.228 -15.986
  179   1HD2  ASN  25          1HD2      ASN  25  -0.406  -0.647 -17.949
  180   2HD2  ASN  25          2HD2      ASN  25  -1.361  -1.611 -16.872
  181    H    ARG  26           H        ARG  26   1.701   4.049 -14.604
  182    HA   ARG  26           HA       ARG  26   2.900   2.634 -12.317
  183   1HB   ARG  26          2HB       ARG  26   3.434   5.414 -13.397
  184   2HB   ARG  26          3HB       ARG  26   4.199   4.724 -11.975
  185   1HG   ARG  26          2HG       ARG  26   4.427   3.267 -14.551
  186   2HG   ARG  26          3HG       ARG  26   5.386   4.726 -14.312
  187   1HD   ARG  26          2HD       ARG  26   6.729   2.883 -13.644
  188   2HD   ARG  26          3HD       ARG  26   6.227   3.720 -12.179
  189    HE   ARG  26           HE       ARG  26   5.280   1.777 -11.499
  190   1HH1  ARG  26          2HH1      ARG  26   5.498   1.699 -15.000
  191   2HH1  ARG  26          1HH1      ARG  26   4.795   0.113 -15.134
  192   1HH2  ARG  26          2HH2      ARG  26   4.369  -0.309 -11.677
  193   2HH2  ARG  26          1HH2      ARG  26   4.137  -1.015 -13.248
  194    H    VAL  27           H        VAL  27   1.832   2.825 -10.398
  195    HA   VAL  27           HA       VAL  27  -0.224   4.896 -10.204
  196    HB   VAL  27           HB       VAL  27   0.350   2.601  -8.337
  197   1HG1  VAL  27          1HG1      VAL  27  -1.991   3.115  -7.543
  198   2HG1  VAL  27          2HG1      VAL  27  -0.752   4.292  -7.106
  199   3HG1  VAL  27          3HG1      VAL  27  -1.863   4.634  -8.433
  200   1HG2  VAL  27          1HG2      VAL  27  -0.416   1.566 -10.271
  201   2HG2  VAL  27          2HG2      VAL  27  -1.894   1.803  -9.341
  202   3HG2  VAL  27          3HG2      VAL  27  -1.505   2.896 -10.670
  203    H    TYR  28           H        TYR  28   0.283   6.817  -9.286
  204    HA   TYR  28           HA       TYR  28   2.651   6.893  -7.626
  205   1HB   TYR  28          2HB       TYR  28   2.544   9.229  -7.652
  206   2HB   TYR  28          3HB       TYR  28   2.009   8.753  -9.247
  207    HD1  TYR  28           HD1      TYR  28   0.334   9.402  -5.936
  208    HD2  TYR  28           HD2      TYR  28   0.440  10.139 -10.123
  209    HE1  TYR  28           HE1      TYR  28  -1.552  10.959  -5.703
  210    HE2  TYR  28           HE2      TYR  28  -1.454  11.692  -9.902
  211    HH   TYR  28           HH       TYR  28  -2.749  12.572  -6.721
  212    H    PHE  29           H        PHE  29   2.596   7.671  -5.402
  213    HA   PHE  29           HA       PHE  29  -0.001   7.239  -4.184
  214   1HB   PHE  29          2HB       PHE  29   1.092   6.061  -2.261
  215   2HB   PHE  29          3HB       PHE  29   0.915   5.159  -3.746
  216    HD1  PHE  29           HD1      PHE  29   3.031   4.919  -5.220
  217    HD2  PHE  29           HD2      PHE  29   3.071   6.125  -1.149
  218    HE1  PHE  29           HE1      PHE  29   5.330   4.055  -4.979
  219    HE2  PHE  29           HE2      PHE  29   5.361   5.282  -0.912
  220    HZ   PHE  29           HZ       PHE  29   6.485   4.231  -2.832
  221    H    VAL  30           H        VAL  30  -0.483   8.368  -2.423
  222    HA   VAL  30           HA       VAL  30   1.481  10.328  -1.477
  223    HB   VAL  30           HB       VAL  30  -1.387  10.992  -2.210
  224   1HG1  VAL  30          1HG1      VAL  30  -0.684  12.253  -0.285
  225   2HG1  VAL  30          2HG1      VAL  30   0.823  12.705  -1.081
  226   3HG1  VAL  30          3HG1      VAL  30  -0.716  13.318  -1.689
  227   1HG2  VAL  30          1HG2      VAL  30  -0.257  12.566  -3.846
  228   2HG2  VAL  30          2HG2      VAL  30   1.216  11.637  -3.568
  229   3HG2  VAL  30          3HG2      VAL  30  -0.207  10.849  -4.245
  230    H    ASN  31           H        ASN  31   1.592  10.188   0.652
  231    HA   ASN  31           HA       ASN  31  -0.670   8.974   2.084
  232   1HB   ASN  31          2HB       ASN  31   1.539   7.873   2.349
  233   2HB   ASN  31          3HB       ASN  31   2.201   9.378   2.976
  234   1HD2  ASN  31          1HD2      ASN  31   0.804   6.470   3.758
  235   2HD2  ASN  31          2HD2      ASN  31   0.405   6.802   5.412
  236    H    HIS  32           H        HIS  32  -1.928  10.297   3.237
  237    HA   HIS  32           HA       HIS  32  -1.125  13.060   3.406
  238   1HB   HIS  32          2HB       HIS  32  -3.750  11.731   4.124
  239   2HB   HIS  32          3HB       HIS  32  -3.469  13.465   4.122
  240    HD1  HIS  32           HD1      HIS  32  -5.502  13.487   2.407
  241    HD2  HIS  32           HD2      HIS  32  -1.996  11.726   1.019
  242    HE1  HIS  32           HE1      HIS  32  -5.780  13.296  -0.088
  243    HE2  HIS  32           HE2      HIS  32  -3.570  12.428  -0.924
  244    H    LYS  33           H        LYS  33  -0.849  10.444   5.435
  245    HA   LYS  33           HA       LYS  33  -1.403  11.750   7.937
  246   1HB   LYS  33          2HB       LYS  33  -1.458   9.241   7.545
  247   2HB   LYS  33          3HB       LYS  33   0.297   9.292   7.483
  248   1HG   LYS  33          2HG       LYS  33   0.312  10.207   9.782
  249   2HG   LYS  33          3HG       LYS  33  -1.442  10.022   9.830
  250   1HD   LYS  33          2HD       LYS  33   0.550   7.793   9.411
  251   2HD   LYS  33          3HD       LYS  33  -0.289   8.148  10.921
  252   1HE   LYS  33          2HE       LYS  33  -1.658   7.440   8.330
  253   2HE   LYS  33          3HE       LYS  33  -1.292   6.285   9.611
  254   1HZ   LYS  33          1HZ       LYS  33  -3.590   7.134   9.680
  255   2HZ   LYS  33          2HZ       LYS  33  -2.989   8.696   9.968
  256   3HZ   LYS  33          3HZ       LYS  33  -2.720   7.467  11.101
  257    H    ASN  34           H        ASN  34   1.512  10.793   6.166
  258    HA   ASN  34           HA       ASN  34   3.103  12.589   7.857
  259   1HB   ASN  34          2HB       ASN  34   3.723  10.169   7.660
  260   2HB   ASN  34          3HB       ASN  34   4.037  10.423   5.950
  261   1HD2  ASN  34          1HD2      ASN  34   5.338  10.431   9.041
  262   2HD2  ASN  34          2HD2      ASN  34   6.859  11.177   8.680
  263    H    ARG  35           H        ARG  35   1.603  12.622   4.909
  264    HA   ARG  35           HA       ARG  35   1.673  13.970   3.083
  265   1HB   ARG  35          2HB       ARG  35   3.381  15.566   4.969
  266   2HB   ARG  35          3HB       ARG  35   3.205  16.068   3.297
  267   1HG   ARG  35          2HG       ARG  35   1.658  17.270   4.702
  268   2HG   ARG  35          3HG       ARG  35   0.777  16.209   3.603
  269   1HD   ARG  35          2HD       ARG  35   0.430  14.602   5.366
  270   2HD   ARG  35          3HD       ARG  35   1.433  15.542   6.466
  271    HE   ARG  35           HE       ARG  35  -0.413  16.739   6.988
  272   1HH1  ARG  35          2HH1      ARG  35  -0.864  15.552   3.706
  273   2HH1  ARG  35          1HH1      ARG  35  -2.478  16.181   3.572
  274   1HH2  ARG  35          2HH2      ARG  35  -2.542  17.533   6.819
  275   2HH2  ARG  35          1HH2      ARG  35  -3.430  17.302   5.344
  276    H    THR  36           H        THR  36   2.615  12.288   1.898
  277    HA   THR  36           HA       THR  36   5.295  12.902   0.912
  278    HB   THR  36           HB       THR  36   4.639  10.104   1.858
  279    HG1  THR  36           HG1      THR  36   5.559  12.290   3.255
  280   1HG2  THR  36          1HG2      THR  36   7.421  11.032   1.515
  281   2HG2  THR  36          2HG2      THR  36   6.479  10.855   0.034
  282   3HG2  THR  36          3HG2      THR  36   6.687   9.478   1.119
  283    H    THR  37           H        THR  37   5.552  12.326  -1.247
  284    HA   THR  37           HA       THR  37   3.425  10.687  -2.428
  285    HB   THR  37           HB       THR  37   3.072  13.071  -3.065
  286    HG1  THR  37           HG1      THR  37   2.325  11.574  -4.529
  287   1HG2  THR  37          1HG2      THR  37   5.167  13.231  -5.035
  288   2HG2  THR  37          2HG2      THR  37   5.845  13.095  -3.411
  289   3HG2  THR  37          3HG2      THR  37   4.708  14.391  -3.788
  290    H    GLN  38           H        GLN  38   4.098   9.253  -4.027
  291    HA   GLN  38           HA       GLN  38   6.876   9.156  -4.896
  292   1HB   GLN  38          2HB       GLN  38   5.629   7.026  -3.144
  293   2HB   GLN  38          3HB       GLN  38   7.096   6.782  -4.078
  294   1HG   GLN  38          2HG       GLN  38   8.175   8.591  -2.790
  295   2HG   GLN  38          3HG       GLN  38   6.711   8.732  -1.817
  296   1HE2  GLN  38          1HE2      GLN  38   6.640   7.588  -0.021
  297   2HE2  GLN  38          2HE2      GLN  38   7.601   6.199   0.348
  298    H    TRP  39           H        TRP  39   7.007   8.184  -6.892
  299    HA   TRP  39           HA       TRP  39   4.496   7.204  -8.015
  300   1HB   TRP  39          2HB       TRP  39   7.080   8.163  -9.172
  301   2HB   TRP  39          3HB       TRP  39   6.018   7.164 -10.157
  302    HD1  TRP  39           HD1      TRP  39   5.109  10.142  -7.791
  303    HE1  TRP  39           HE1      TRP  39   3.717  11.817  -9.147
  304    HE3  TRP  39           HE3      TRP  39   5.264   7.810 -12.335
  305    HZ2  TRP  39           HZ2      TRP  39   2.807  12.114 -11.806
  306    HZ3  TRP  39           HZ3      TRP  39   4.101   8.855 -14.233
  307    HH2  TRP  39           HH2      TRP  39   2.901  10.963 -13.972
  308    H    GLU  40           H        GLU  40   4.014   5.122  -7.841
  309    HA   GLU  40           HA       GLU  40   5.298   3.087  -9.152
  310   1HB   GLU  40          2HB       GLU  40   7.170   3.428  -7.527
  311   2HB   GLU  40          3HB       GLU  40   6.080   2.942  -6.235
  312   1HG   GLU  40          2HG       GLU  40   7.454   1.083  -6.831
  313   2HG   GLU  40          3HG       GLU  40   5.800   0.756  -7.348
  314    H    ASP  41           H        ASP  41   3.981   3.483  -5.931
  315    HA   ASP  41           HA       ASP  41   1.767   3.103  -5.288
  316   1HB   ASP  41          2HB       ASP  41   0.346   2.002  -6.591
  317   2HB   ASP  41          3HB       ASP  41   1.683   1.592  -7.657
  318    HA   PRO  42           HA       PRO  42   3.331   0.270  -2.211
  319   1HB   PRO  42          2HB       PRO  42   2.256   1.521  -0.126
  320   2HB   PRO  42          3HB       PRO  42   3.513   2.323  -1.078
  321   1HG   PRO  42          2HG       PRO  42   0.606   2.857  -0.971
  322   2HG   PRO  42          3HG       PRO  42   1.936   3.946  -1.390
  323   1HD   PRO  42          2HD       PRO  42   0.218   2.436  -3.148
  324   2HD   PRO  42          3HD       PRO  42   1.484   3.602  -3.589
  325    H    ARG  43           H        ARG  43   0.310   0.426  -3.547
  326    HA   ARG  43           HA       ARG  43  -0.700  -1.929  -2.539
  327   1HB   ARG  43          2HB       ARG  43  -2.558  -1.215  -1.119
  328   2HB   ARG  43          3HB       ARG  43  -1.012  -0.803  -0.397
  329   1HG   ARG  43          2HG       ARG  43  -1.356   1.435  -0.591
  330   2HG   ARG  43          3HG       ARG  43  -2.369   1.270  -2.028
  331   1HD   ARG  43          2HD       ARG  43  -3.661   1.993  -0.072
  332   2HD   ARG  43          3HD       ARG  43  -4.195   0.427  -0.677
  333    HE   ARG  43           HE       ARG  43  -2.273   0.368   1.506
  334   1HH1  ARG  43          2HH1      ARG  43  -5.620   0.166   0.502
  335   2HH1  ARG  43          1HH1      ARG  43  -6.164  -0.545   1.988
  336   1HH2  ARG  43          2HH2      ARG  43  -2.989  -0.575   3.478
  337   2HH2  ARG  43          1HH2      ARG  43  -4.667  -0.957   3.688
  338    H    THR  44           H        THR  44  -2.827  -2.371  -3.203
  339    HA   THR  44           HA       THR  44  -4.496  -2.468  -4.741
  340    HB   THR  44           HB       THR  44  -4.663   0.511  -4.338
  341    HG1  THR  44           HG1      THR  44  -5.676   0.023  -2.343
  342   1HG2  THR  44          1HG2      THR  44  -7.133  -0.198  -4.165
  343   2HG2  THR  44          2HG2      THR  44  -6.604  -1.725  -4.869
  344   3HG2  THR  44          3HG2      THR  44  -6.384  -0.218  -5.760
  345    H    GLN  45           H        GLN  45  -2.590  -2.824  -6.303
  346    HA   GLN  45           HA       GLN  45  -3.200  -1.121  -8.611
  347   1HB   GLN  45          2HB       GLN  45  -0.890  -0.548  -8.010
  348   2HB   GLN  45          3HB       GLN  45  -0.448  -2.253  -8.032
  349   1HG   GLN  45          2HG       GLN  45  -1.007  -2.356 -10.417
  350   2HG   GLN  45          3HG       GLN  45  -1.411  -0.645 -10.392
  351   1HE2  GLN  45          1HE2      GLN  45   1.128  -0.900  -8.354
  352   2HE2  GLN  45          2HE2      GLN  45   2.413  -0.599  -9.470
  353    H    GLY  46           H        GLY  46  -3.614  -2.230 -10.478
  354   1HA   GLY  46          1HA       GLY  46  -4.652  -4.780 -10.349
  355   2HA   GLY  46          2HA       GLY  46  -4.109  -4.027 -11.842
  356    H    GLN  47           H        GLN  47  -1.549  -3.987 -11.913
  357    HA   GLN  47           HA       GLN  47  -0.669  -6.542 -12.316
  358   1HB   GLN  47          2HB       GLN  47   1.035  -4.141 -11.626
  359   2HB   GLN  47          3HB       GLN  47   1.624  -5.621 -12.365
  360   1HG   GLN  47          2HG       GLN  47  -0.398  -3.759 -13.587
  361   2HG   GLN  47          3HG       GLN  47   1.320  -3.804 -13.979
  362   1HE2  GLN  47          1HE2      GLN  47   1.784  -4.868 -15.739
  363   2HE2  GLN  47          2HE2      GLN  47   0.902  -6.207 -16.400
  364    H    GLU  48           H        GLU  48  -0.448  -4.676  -9.336
  365    HA   GLU  48           HA       GLU  48   1.008  -6.879  -8.073
  366   1HB   GLU  48          2HB       GLU  48   0.507  -4.131  -6.922
  367   2HB   GLU  48          3HB       GLU  48   1.645  -5.338  -6.347
  368   1HG   GLU  48          2HG       GLU  48   1.816  -3.688  -8.849
  369   2HG   GLU  48          3HG       GLU  48   2.889  -3.661  -7.452
  370    H    VAL  49           H        VAL  49  -0.368  -5.001  -5.758
  371    HA   VAL  49           HA       VAL  49  -1.883  -7.053  -4.706
  372    HB   VAL  49           HB       VAL  49  -2.184  -4.144  -3.972
  373   1HG1  VAL  49          1HG1      VAL  49  -3.777  -5.320  -2.755
  374   2HG1  VAL  49          2HG1      VAL  49  -2.741  -6.736  -2.582
  375   3HG1  VAL  49          3HG1      VAL  49  -2.396  -5.274  -1.659
  376   1HG2  VAL  49          1HG2      VAL  49  -0.352  -5.477  -2.272
  377   2HG2  VAL  49          2HG2      VAL  49   0.167  -5.731  -3.941
  378   3HG2  VAL  49          3HG2      VAL  49  -0.066  -4.092  -3.328
  379    H    SER  50           H        SER  50  -3.550  -4.006  -4.853
  380    HA   SER  50           HA       SER  50  -5.716  -3.534  -5.172
  381   1HB   SER  50          2HB       SER  50  -5.129  -5.165  -7.603
  382   2HB   SER  50          3HB       SER  50  -6.800  -4.710  -7.263
  383    HG   SER  50           HG       SER  50  -6.066  -3.040  -8.421
  384    H    LEU  51           H        LEU  51  -5.304  -5.187  -3.220
  385    HA   LEU  51           HA       LEU  51  -6.235  -6.749  -1.851
  386   1HB   LEU  51          2HB       LEU  51  -8.728  -6.279  -3.481
  387   2HB   LEU  51          3HB       LEU  51  -8.618  -6.711  -1.783
  388    HG   LEU  51           HG       LEU  51  -7.638  -4.083  -2.916
  389   1HD1  LEU  51          1HD1      LEU  51  -9.903  -3.792  -1.211
  390   2HD1  LEU  51          2HD1      LEU  51  -9.735  -3.343  -2.910
  391   3HD1  LEU  51          3HD1      LEU  51 -10.307  -4.955  -2.475
  392   1HD2  LEU  51          1HD2      LEU  51  -7.428  -3.380  -0.660
  393   2HD2  LEU  51          2HD2      LEU  51  -8.235  -4.829  -0.056
  394   3HD2  LEU  51          3HD2      LEU  51  -6.628  -4.949  -0.775
  395    H    ILE  52           H        ILE  52  -4.741  -7.935  -3.512
  396    HA   ILE  52           HA       ILE  52  -5.478  -9.503  -5.586
  397    HB   ILE  52           HB       ILE  52  -3.724 -10.871  -3.629
  398   1HG1  ILE  52          2HG1      ILE  52  -2.673  -8.409  -5.037
  399   2HG1  ILE  52          3HG1      ILE  52  -3.345  -8.330  -3.403
  400   1HG2  ILE  52          1HG2      ILE  52  -3.354 -11.916  -5.567
  401   2HG2  ILE  52          2HG2      ILE  52  -4.036 -10.593  -6.512
  402   3HG2  ILE  52          3HG2      ILE  52  -2.357 -10.521  -5.978
  403   1HD1  ILE  52          1HD1      ILE  52  -1.166  -8.635  -2.892
  404   2HD1  ILE  52          2HD1      ILE  52  -1.657 -10.324  -3.012
  405   3HD1  ILE  52          3HD1      ILE  52  -0.832  -9.548  -4.362
  406    H    ASN  53           H        ASN  53  -5.914 -10.246  -2.188
  407    HA   ASN  53           HA       ASN  53  -7.237 -11.735  -1.097
  408   1HB   ASN  53          2HB       ASN  53  -8.912 -11.554  -2.923
  409   2HB   ASN  53          3HB       ASN  53  -8.046 -12.798  -3.814
  410   1HD2  ASN  53          1HD2      ASN  53 -10.524 -12.180  -1.699
  411   2HD2  ASN  53          2HD2      ASN  53 -10.798 -13.796  -1.128
  412    H    GLU  54           H        GLU  54  -5.862 -12.921  -0.047
  413    HA   GLU  54           HA       GLU  54  -4.442 -14.561   0.563
  414   1HB   GLU  54          2HB       GLU  54  -5.756 -15.894  -1.787
  415   2HB   GLU  54          3HB       GLU  54  -4.508 -16.699  -0.847
  416   1HG   GLU  54          2HG       GLU  54  -5.899 -16.342   1.183
  417   2HG   GLU  54          3HG       GLU  54  -7.173 -15.721   0.135
  418    H    GLY  55           H        GLY  55  -3.115 -12.574  -0.589
  419   1HA   GLY  55          1HA       GLY  55  -1.113 -13.968  -2.265
  420   2HA   GLY  55          2HA       GLY  55  -1.443 -12.244  -2.411
  421    HA   PRO  56           HA       PRO  56   2.007 -12.541   0.620
  422   1HB   PRO  56          2HB       PRO  56   3.462 -10.478  -0.318
  423   2HB   PRO  56          3HB       PRO  56   3.542 -12.090  -1.036
  424   1HG   PRO  56          2HG       PRO  56   2.098  -9.658  -1.988
  425   2HG   PRO  56          3HG       PRO  56   2.954 -10.895  -2.923
  426   1HD   PRO  56          2HD       PRO  56   0.211 -10.776  -2.594
  427   2HD   PRO  56          3HD       PRO  56   1.118 -12.237  -3.030
  428    H    LEU  57           H        LEU  57  -0.620 -10.930   0.508
  429    HA   LEU  57           HA       LEU  57  -1.634  -9.094   1.433
  430   1HB   LEU  57          2HB       LEU  57  -0.689 -10.918   3.280
  431   2HB   LEU  57          3HB       LEU  57  -0.223  -9.368   3.954
  432    HG   LEU  57           HG       LEU  57  -3.031 -10.163   3.175
  433   1HD1  LEU  57          1HD1      LEU  57  -3.201  -9.745   5.779
  434   2HD1  LEU  57          2HD1      LEU  57  -2.770 -11.320   5.108
  435   3HD1  LEU  57          3HD1      LEU  57  -1.510 -10.244   5.716
  436   1HD2  LEU  57          1HD2      LEU  57  -2.073  -7.694   4.610
  437   2HD2  LEU  57          2HD2      LEU  57  -2.543  -7.750   2.911
  438   3HD2  LEU  57          3HD2      LEU  57  -3.734  -8.092   4.166
  439    HA   PRO  58           HA       PRO  58   1.759  -5.971   1.626
  440   1HB   PRO  58          2HB       PRO  58   2.341  -5.525  -0.952
  441   2HB   PRO  58          3HB       PRO  58   2.964  -6.936  -0.089
  442   1HG   PRO  58          2HG       PRO  58   0.970  -6.817  -2.230
  443   2HG   PRO  58          3HG       PRO  58   1.836  -8.222  -1.589
  444   1HD   PRO  58          2HD       PRO  58  -0.848  -7.210  -0.904
  445   2HD   PRO  58          3HD       PRO  58  -0.139  -8.816  -0.610
  446    HA   PRO  59           HA       PRO  59  -1.511  -3.063  -0.110
  447   1HB   PRO  59          2HB       PRO  59  -3.538  -3.038   1.688
  448   2HB   PRO  59          3HB       PRO  59  -3.457  -4.193   0.355
  449   1HG   PRO  59          2HG       PRO  59  -3.137  -4.662   3.215
  450   2HG   PRO  59          3HG       PRO  59  -3.360  -5.834   1.909
  451   1HD   PRO  59          2HD       PRO  59  -0.893  -4.984   3.225
  452   2HD   PRO  59          3HD       PRO  59  -1.171  -6.371   2.153
  453    H    GLY  60           H        GLY  60   0.049  -1.479   0.417
  454   1HA   GLY  60          1HA       GLY  60   0.174   0.682   1.424
  455   2HA   GLY  60          2HA       GLY  60  -0.609   0.026   2.857
  456    H    TRP  61           H        TRP  61   2.067  -1.302   1.042
  457    HA   TRP  61           HA       TRP  61   3.761  -1.002   3.425
  458   1HB   TRP  61          2HB       TRP  61   3.854  -3.104   1.256
  459   2HB   TRP  61          3HB       TRP  61   5.107  -2.889   2.466
  460    HD1  TRP  61           HD1      TRP  61   1.363  -3.872   2.277
  461    HE1  TRP  61           HE1      TRP  61   0.934  -5.584   4.174
  462    HE3  TRP  61           HE3      TRP  61   5.852  -3.591   4.662
  463    HZ2  TRP  61           HZ2      TRP  61   2.249  -6.510   6.475
  464    HZ3  TRP  61           HZ3      TRP  61   6.188  -4.883   6.716
  465    HH2  TRP  61           HH2      TRP  61   4.422  -6.325   7.608
  466    H    GLU  62           H        GLU  62   5.921  -0.453   3.081
  467    HA   GLU  62           HA       GLU  62   6.608   0.606   0.429
  468   1HB   GLU  62          2HB       GLU  62   7.158   1.852   3.128
  469   2HB   GLU  62          3HB       GLU  62   7.969   2.348   1.651
  470   1HG   GLU  62          2HG       GLU  62   5.511   2.645   0.783
  471   2HG   GLU  62          3HG       GLU  62   5.156   2.773   2.505
  472    H    ILE  63           H        ILE  63   8.906   0.583  -0.008
  473    HA   ILE  63           HA       ILE  63  10.223  -1.637   1.382
  474    HB   ILE  63           HB       ILE  63  11.868  -1.487  -0.569
  475   1HG1  ILE  63          2HG1      ILE  63   9.598   0.164  -1.715
  476   2HG1  ILE  63          3HG1      ILE  63  11.227   0.737  -1.377
  477   1HG2  ILE  63          1HG2      ILE  63   9.007  -2.275  -1.124
  478   2HG2  ILE  63          2HG2      ILE  63  10.422  -2.822  -2.022
  479   3HG2  ILE  63          3HG2      ILE  63  10.225  -3.271  -0.328
  480   1HD1  ILE  63          1HD1      ILE  63  10.359  -0.111  -3.792
  481   2HD1  ILE  63          2HD1      ILE  63  12.046  -0.103  -3.280
  482   3HD1  ILE  63          3HD1      ILE  63  11.096  -1.583  -3.159
  483    H    ARG  64           H        ARG  64  11.680  -1.165   2.847
  484    HA   ARG  64           HA       ARG  64  12.933   1.493   2.781
  485   1HB   ARG  64          2HB       ARG  64  11.732   0.968   4.847
  486   2HB   ARG  64          3HB       ARG  64  12.681  -0.497   5.046
  487   1HG   ARG  64          2HG       ARG  64  13.502   1.221   6.520
  488   2HG   ARG  64          3HG       ARG  64  14.710   0.869   5.284
  489   1HD   ARG  64          2HD       ARG  64  13.768   2.842   4.002
  490   2HD   ARG  64          3HD       ARG  64  12.870   3.245   5.465
  491    HE   ARG  64           HE       ARG  64  15.579   2.902   6.125
  492   1HH1  ARG  64          2HH1      ARG  64  13.439   5.160   4.505
  493   2HH1  ARG  64          1HH1      ARG  64  14.543   6.500   4.647
  494   1HH2  ARG  64          2HH2      ARG  64  17.023   4.648   6.306
  495   2HH2  ARG  64          1HH2      ARG  64  16.568   6.218   5.711
  496    H    TYR  65           H        TYR  65  14.942   1.603   2.043
  497    HA   TYR  65           HA       TYR  65  16.472  -0.780   1.602
  498   1HB   TYR  65          2HB       TYR  65  18.272   1.126   1.064
  499   2HB   TYR  65          3HB       TYR  65  17.028   0.636  -0.075
  500    HD1  TYR  65           HD1      TYR  65  17.415   3.075   2.759
  501    HD2  TYR  65           HD2      TYR  65  15.897   2.305  -1.141
  502    HE1  TYR  65           HE1      TYR  65  16.605   5.392   2.621
  503    HE2  TYR  65           HE2      TYR  65  15.087   4.618  -1.285
  504    HH   TYR  65           HH       TYR  65  15.427   6.747  -0.338
  505    H    THR  66           H        THR  66  17.725  -1.748   2.954
  506    HA   THR  66           HA       THR  66  18.684  -0.249   5.313
  507    HB   THR  66           HB       THR  66  18.572  -3.252   5.026
  508    HG1  THR  66           HG1      THR  66  16.466  -2.256   4.906
  509   1HG2  THR  66          1HG2      THR  66  18.387  -2.780   7.652
  510   2HG2  THR  66          2HG2      THR  66  19.289  -1.339   7.183
  511   3HG2  THR  66          3HG2      THR  66  19.939  -2.940   6.832
  512    H    ALA  67           H        ALA  67  20.813  -0.030   5.648
  513    HA   ALA  67           HA       ALA  67  22.566   0.285   3.810
  514   1HB   ALA  67          1HB       ALA  67  24.333   0.272   5.350
  515   2HB   ALA  67          2HB       ALA  67  22.882   0.649   6.279
  516   3HB   ALA  67          3HB       ALA  67  23.569  -0.973   6.337
  517    H    ALA  68           H        ALA  68  22.095  -3.008   5.063
  518    HA   ALA  68           HA       ALA  68  24.339  -4.114   3.684
  519   1HB   ALA  68          1HB       ALA  68  22.065  -5.175   5.226
  520   2HB   ALA  68          2HB       ALA  68  22.770  -6.264   4.032
  521   3HB   ALA  68          3HB       ALA  68  23.780  -5.576   5.303
  522    H    GLY  69           H        GLY  69  21.593  -2.792   2.489
  523   1HA   GLY  69          1HA       GLY  69  21.239  -2.547   0.194
  524   2HA   GLY  69          2HA       GLY  69  22.044  -4.084  -0.076
  525    H    GLU  70           H        GLU  70  19.725  -4.217   2.408
  526    HA   GLU  70           HA       GLU  70  17.946  -5.670   0.582
  527   1HB   GLU  70          2HB       GLU  70  18.914  -6.810   2.616
  528   2HB   GLU  70          3HB       GLU  70  17.915  -5.740   3.593
  529   1HG   GLU  70          2HG       GLU  70  16.846  -7.896   3.309
  530   2HG   GLU  70          3HG       GLU  70  15.910  -6.626   2.517
  531    H    ARG  71           H        ARG  71  15.835  -5.171   0.330
  532    HA   ARG  71           HA       ARG  71  14.957  -2.655   1.532
  533   1HB   ARG  71          2HB       ARG  71  13.269  -2.529  -0.199
  534   2HB   ARG  71          3HB       ARG  71  14.846  -2.794  -0.919
  535   1HG   ARG  71          2HG       ARG  71  12.767  -4.933  -0.500
  536   2HG   ARG  71          3HG       ARG  71  13.034  -4.062  -2.009
  537   1HD   ARG  71          2HD       ARG  71  14.968  -5.890  -0.594
  538   2HD   ARG  71          3HD       ARG  71  14.134  -6.200  -2.117
  539    HE   ARG  71           HE       ARG  71  15.612  -3.845  -2.402
  540   1HH1  ARG  71          2HH1      ARG  71  16.316  -7.200  -1.703
  541   2HH1  ARG  71          1HH1      ARG  71  17.710  -7.262  -2.742
  542   1HH2  ARG  71          2HH2      ARG  71  17.460  -3.891  -3.734
  543   2HH2  ARG  71          1HH2      ARG  71  18.382  -5.364  -3.881
  544    H    PHE  72           H        PHE  72  14.129  -3.021   3.458
  545    HA   PHE  72           HA       PHE  72  12.604  -5.315   4.174
  546   1HB   PHE  72          2HB       PHE  72  13.007  -2.640   5.532
  547   2HB   PHE  72          3HB       PHE  72  12.110  -3.970   6.254
  548    HD1  PHE  72           HD1      PHE  72  13.800  -3.672   8.141
  549    HD2  PHE  72           HD2      PHE  72  14.865  -5.002   4.243
  550    HE1  PHE  72           HE1      PHE  72  15.880  -4.620   9.041
  551    HE2  PHE  72           HE2      PHE  72  16.950  -5.949   5.137
  552    HZ   PHE  72           HZ       PHE  72  17.495  -5.640   7.570
  553    H    PHE  73           H        PHE  73  10.352  -5.196   4.989
  554    HA   PHE  73           HA       PHE  73   8.724  -3.526   3.207
  555   1HB   PHE  73          2HB       PHE  73   8.141  -6.072   4.706
  556   2HB   PHE  73          3HB       PHE  73   6.840  -5.055   4.102
  557    HD1  PHE  73           HD1      PHE  73   6.270  -5.034   1.793
  558    HD2  PHE  73           HD2      PHE  73   9.707  -7.148   3.138
  559    HE1  PHE  73           HE1      PHE  73   6.444  -6.138  -0.399
  560    HE2  PHE  73           HE2      PHE  73   9.891  -8.255   0.949
  561    HZ   PHE  73           HZ       PHE  73   8.234  -7.720  -0.841
  562    H    VAL  74           H        VAL  74   7.344  -2.030   4.000
  563    HA   VAL  74           HA       VAL  74   7.105  -1.714   6.919
  564    HB   VAL  74           HB       VAL  74   7.550   0.618   5.051
  565   1HG1  VAL  74          1HG1      VAL  74   6.581   0.490   7.637
  566   2HG1  VAL  74          2HG1      VAL  74   8.273   0.942   7.844
  567   3HG1  VAL  74          3HG1      VAL  74   7.216   1.924   6.826
  568   1HG2  VAL  74          1HG2      VAL  74   9.829   0.579   6.471
  569   2HG2  VAL  74          2HG2      VAL  74   9.529  -1.154   6.339
  570   3HG2  VAL  74          3HG2      VAL  74   9.663  -0.171   4.883
  571    H    ASP  75           H        ASP  75   4.961  -1.924   7.297
  572    HA   ASP  75           HA       ASP  75   3.021  -0.869   5.362
  573   1HB   ASP  75          2HB       ASP  75   2.575  -3.122   6.206
  574   2HB   ASP  75          3HB       ASP  75   2.666  -2.547   7.867
  575    H    HIS  76           H        HIS  76   2.126   1.098   5.668
  576    HA   HIS  76           HA       HIS  76   2.784   2.459   8.159
  577   1HB   HIS  76          2HB       HIS  76   1.680   3.472   5.534
  578   2HB   HIS  76          3HB       HIS  76   1.980   4.502   6.928
  579    HD1  HIS  76           HD1      HIS  76   3.519   5.550   4.816
  580    HD2  HIS  76           HD2      HIS  76   4.898   2.178   6.814
  581    HE1  HIS  76           HE1      HIS  76   5.959   5.392   4.279
  582    HE2  HIS  76           HE2      HIS  76   6.817   3.448   5.619
  583    H    ASN  77           H        ASN  77   0.141   0.871   6.851
  584    HA   ASN  77           HA       ASN  77  -1.962   2.511   7.885
  585   1HB   ASN  77          2HB       ASN  77  -2.249  -0.424   7.302
  586   2HB   ASN  77          3HB       ASN  77  -3.425   0.867   7.069
  587   1HD2  ASN  77          1HD2      ASN  77  -0.960  -0.990   5.692
  588   2HD2  ASN  77          2HD2      ASN  77  -0.890  -0.198   4.160
  589    H    THR  78           H        THR  78  -0.347  -0.451   8.880
  590    HA   THR  78           HA       THR  78  -1.741  -0.339  11.470
  591    HB   THR  78           HB       THR  78  -1.004  -2.736  11.688
  592    HG1  THR  78           HG1      THR  78  -0.174  -2.255   8.995
  593   1HG2  THR  78          1HG2      THR  78  -2.987  -1.638   9.850
  594   2HG2  THR  78          2HG2      THR  78  -3.143  -2.924  11.046
  595   3HG2  THR  78          3HG2      THR  78  -2.506  -3.285   9.442
  596    H    ARG  79           H        ARG  79   1.127   0.506  10.093
  597    HA   ARG  79           HA       ARG  79   3.202   1.035  10.835
  598   1HB   ARG  79          2HB       ARG  79   1.861   0.814  13.535
  599   2HB   ARG  79          3HB       ARG  79   3.494   1.419  13.295
  600   1HG   ARG  79          2HG       ARG  79   1.041   2.640  12.054
  601   2HG   ARG  79          3HG       ARG  79   1.779   3.188  13.561
  602   1HD   ARG  79          2HD       ARG  79   3.120   3.105  10.861
  603   2HD   ARG  79          3HD       ARG  79   2.490   4.546  11.659
  604    HE   ARG  79           HE       ARG  79   4.318   3.283  13.384
  605   1HH1  ARG  79          2HH1      ARG  79   4.266   5.050  10.358
  606   2HH1  ARG  79          1HH1      ARG  79   5.883   5.671  10.549
  607   1HH2  ARG  79          2HH2      ARG  79   6.454   4.106  13.619
  608   2HH2  ARG  79          1HH2      ARG  79   7.106   5.147  12.393
  609    H    ARG  80           H        ARG  80   4.014  -0.902   9.986
  610    HA   ARG  80           HA       ARG  80   5.146  -2.705  11.955
  611   1HB   ARG  80          2HB       ARG  80   2.971  -3.733  11.557
  612   2HB   ARG  80          3HB       ARG  80   3.232  -3.674   9.820
  613   1HG   ARG  80          2HG       ARG  80   5.074  -5.264  10.041
  614   2HG   ARG  80          3HG       ARG  80   4.813  -5.319  11.787
  615   1HD   ARG  80          2HD       ARG  80   2.809  -6.111   9.673
  616   2HD   ARG  80          3HD       ARG  80   3.763  -7.223  10.654
  617    HE   ARG  80           HE       ARG  80   2.434  -5.614  12.443
  618   1HH1  ARG  80          2HH1      ARG  80   1.557  -7.904   9.935
  619   2HH1  ARG  80          1HH1      ARG  80   0.019  -8.284  10.661
  620   1HH2  ARG  80          2HH2      ARG  80   0.445  -6.129  13.392
  621   2HH2  ARG  80          1HH2      ARG  80  -0.604  -7.290  12.628
  622    H    THR  81           H        THR  81   7.070  -3.578  11.248
  623    HA   THR  81           HA       THR  81   7.667  -3.271   8.391
  624    HB   THR  81           HB       THR  81   8.927  -1.536   9.589
  625    HG1  THR  81           HG1      THR  81   9.831  -2.965   7.781
  626   1HG2  THR  81          1HG2      THR  81   9.766  -3.849  11.264
  627   2HG2  THR  81          2HG2      THR  81   9.358  -2.201  11.738
  628   3HG2  THR  81          3HG2      THR  81  10.919  -2.543  10.993
  629    H    THR  82           H        THR  82   8.864  -4.950   7.478
  630    HA   THR  82           HA       THR  82   9.443  -7.263   9.191
  631    HB   THR  82           HB       THR  82   7.883  -7.433   6.603
  632    HG1  THR  82           HG1      THR  82   6.955  -7.562   9.304
  633   1HG2  THR  82          1HG2      THR  82   8.653  -9.435   8.713
  634   2HG2  THR  82          2HG2      THR  82   8.985  -9.487   6.980
  635   3HG2  THR  82          3HG2      THR  82   7.339  -9.725   7.574
  636    H    PHE  83           H        PHE  83  11.204  -8.421   8.558
  637    HA   PHE  83           HA       PHE  83  12.927  -7.292   6.546
  638   1HB   PHE  83          2HB       PHE  83  13.155  -9.806   8.234
  639   2HB   PHE  83          3HB       PHE  83  14.404  -9.257   7.129
  640    HD1  PHE  83           HD1      PHE  83  12.359  -7.142   9.353
  641    HD2  PHE  83           HD2      PHE  83  16.184  -8.867   8.653
  642    HE1  PHE  83           HE1      PHE  83  13.313  -5.742  11.131
  643    HE2  PHE  83           HE2      PHE  83  17.143  -7.477  10.440
  644    HZ   PHE  83           HZ       PHE  83  15.797  -6.024  11.715
  645    H    GLU  84           H        GLU  84  11.178 -10.335   6.976
  646    HA   GLU  84           HA       GLU  84  11.680 -11.198   4.268
  647   1HB   GLU  84          2HB       GLU  84  10.145 -13.086   4.909
  648   2HB   GLU  84          3HB       GLU  84  11.572 -12.921   5.921
  649   1HG   GLU  84          2HG       GLU  84  10.166 -11.702   7.581
  650   2HG   GLU  84          3HG       GLU  84   8.759 -12.088   6.592
  651    H    ASP  85           H        ASP  85   9.142 -12.307   3.634
  652    HA   ASP  85           HA       ASP  85   7.787  -9.915   2.716
  653   1HB   ASP  85          2HB       ASP  85   7.408 -12.856   2.160
  654   2HB   ASP  85          3HB       ASP  85   6.279 -11.636   1.580
  655    HA   PRO  86           HA       PRO  86   4.713  -9.768   5.864
  656   1HB   PRO  86          2HB       PRO  86   2.802  -8.989   3.742
  657   2HB   PRO  86          3HB       PRO  86   3.310  -8.098   5.180
  658   1HG   PRO  86          2HG       PRO  86   4.143  -7.365   2.758
  659   2HG   PRO  86          3HG       PRO  86   5.233  -7.289   4.158
  660   1HD   PRO  86          2HD       PRO  86   5.073  -9.357   1.990
  661   2HD   PRO  86          3HD       PRO  86   6.508  -8.601   2.716
  662    H    ARG  87           H        ARG  87   1.855 -10.004   4.934
  663    HA   ARG  87           HA       ARG  87   0.201 -11.550   4.909
  664   1HB   ARG  87          2HB       ARG  87   0.958 -12.280   2.764
  665   2HB   ARG  87          3HB       ARG  87   2.308 -13.158   3.463
  666   1HG   ARG  87          2HG       ARG  87   0.539 -14.651   2.676
  667   2HG   ARG  87          3HG       ARG  87   0.804 -14.795   4.411
  668   1HD   ARG  87          2HD       ARG  87  -1.558 -14.820   3.983
  669   2HD   ARG  87          3HD       ARG  87  -1.138 -13.306   4.778
  670    HE   ARG  87           HE       ARG  87  -1.062 -12.662   2.163
  671   1HH1  ARG  87          2HH1      ARG  87  -3.446 -14.465   3.944
  672   2HH1  ARG  87          1HH1      ARG  87  -4.804 -13.649   3.215
  673   1HH2  ARG  87          2HH2      ARG  87  -2.856 -11.570   1.198
  674   2HH2  ARG  87          1HH2      ARG  87  -4.466 -11.981   1.710
  675    HA   PRO  88           HA       PRO  88   1.888 -13.373   8.799
  676   1HB   PRO  88          2HB       PRO  88  -0.224 -12.598  10.330
  677   2HB   PRO  88          3HB       PRO  88   1.170 -11.558  10.016
  678   1HG   PRO  88          2HG       PRO  88  -1.522 -11.562   8.714
  679   2HG   PRO  88          3HG       PRO  88  -0.530 -10.186   9.229
  680   1HD   PRO  88          2HD       PRO  88  -0.672 -11.002   6.651
  681   2HD   PRO  88          3HD       PRO  88   0.787 -10.267   7.346
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -13.831  -5.596  -4.900
    2   2H    GLY   1          2H        GLY   1 -12.610  -4.414  -4.936
    3   3H    GLY   1          3H        GLY   1 -14.177  -3.998  -4.452
    4   1HA   GLY   1          2HA       GLY   1 -12.098  -5.451  -2.988
    5   2HA   GLY   1          1HA       GLY   1 -13.160  -4.164  -2.431
    6    H    SER   2           H        SER   2 -12.503  -7.067  -1.600
    7    HA   SER   2           HA       SER   2 -14.977  -8.485  -1.811
    8   1HB   SER   2          2HB       SER   2 -12.701  -8.901   0.145
    9   2HB   SER   2          3HB       SER   2 -13.970 -10.063  -0.250
   10    HG   SER   2           HG       SER   2 -11.654  -9.493  -1.570
   11    HA   PRO   3           HA       PRO   3 -17.266  -6.288   1.258
   12   1HB   PRO   3          2HB       PRO   3 -18.999  -8.330   1.935
   13   2HB   PRO   3          3HB       PRO   3 -19.201  -7.252   0.551
   14   1HG   PRO   3          2HG       PRO   3 -18.086 -10.023   0.653
   15   2HG   PRO   3          3HG       PRO   3 -19.137  -9.276  -0.566
   16   1HD   PRO   3          2HD       PRO   3 -16.504  -9.600  -0.984
   17   2HD   PRO   3          3HD       PRO   3 -17.377  -8.179  -1.597
   18    H    GLU   4           H        GLU   4 -16.417  -5.860   3.143
   19    HA   GLU   4           HA       GLU   4 -16.351  -7.774   5.297
   20   1HB   GLU   4          2HB       GLU   4 -14.256  -8.238   3.931
   21   2HB   GLU   4          3HB       GLU   4 -13.721  -6.617   4.341
   22   1HG   GLU   4          2HG       GLU   4 -12.667  -8.268   5.761
   23   2HG   GLU   4          3HG       GLU   4 -13.710  -7.209   6.707
   24    H    PHE   5           H        PHE   5 -17.668  -5.410   4.809
   25    HA   PHE   5           HA       PHE   5 -18.276  -3.448   5.779
   26   1HB   PHE   5          2HB       PHE   5 -16.080  -4.107   7.750
   27   2HB   PHE   5          3HB       PHE   5 -17.087  -2.669   7.865
   28    HD1  PHE   5           HD1      PHE   5 -19.053  -2.740   9.052
   29    HD2  PHE   5           HD2      PHE   5 -17.332  -6.379   7.675
   30    HE1  PHE   5           HE1      PHE   5 -20.729  -4.008  10.327
   31    HE2  PHE   5           HE2      PHE   5 -19.016  -7.655   8.937
   32    HZ   PHE   5           HZ       PHE   5 -20.714  -6.469  10.267
   33    H    HIS   6           H        HIS   6 -17.948  -1.521   4.947
   34    HA   HIS   6           HA       HIS   6 -16.968   0.338   4.092
   35   1HB   HIS   6          2HB       HIS   6 -14.321  -0.753   5.074
   36   2HB   HIS   6          3HB       HIS   6 -14.647   0.897   4.553
   37    HD1  HIS   6           HD1      HIS   6 -16.796   1.970   6.090
   38    HD2  HIS   6           HD2      HIS   6 -14.334  -0.941   7.755
   39    HE1  HIS   6           HE1      HIS   6 -17.107   2.158   8.582
   40    HE2  HIS   6           HE2      HIS   6 -15.484   0.499   9.573
   41    H    MET   7           H        MET   7 -15.911   0.989   2.171
   42    HA   MET   7           HA       MET   7 -15.516  -1.264   0.343
   43   1HB   MET   7          2HB       MET   7 -15.974   1.668  -0.246
   44   2HB   MET   7          3HB       MET   7 -15.727   0.430  -1.468
   45   1HG   MET   7          2HG       MET   7 -18.020   0.679  -1.425
   46   2HG   MET   7          3HG       MET   7 -17.756  -0.731  -0.401
   47   1HE   MET   7          1HE       MET   7 -19.203   3.298   0.130
   48   2HE   MET   7          2HE       MET   7 -17.865   3.408   1.272
   49   3HE   MET   7          3HE       MET   7 -17.560   2.943  -0.401
   50    H    ASP   8           H        ASP   8 -14.098   1.952   0.897
   51    HA   ASP   8           HA       ASP   8 -11.999   2.773   0.651
   52   1HB   ASP   8          2HB       ASP   8 -11.793   1.038   2.582
   53   2HB   ASP   8          3HB       ASP   8 -10.913   0.072   1.400
   54    H    ALA   9           H        ALA   9  -9.971   0.322   0.054
   55    HA   ALA   9           HA       ALA   9  -8.932  -0.629  -1.725
   56   1HB   ALA   9          1HB       ALA   9 -10.167  -1.469  -3.469
   57   2HB   ALA   9          2HB       ALA   9 -11.407  -1.230  -2.238
   58   3HB   ALA   9          3HB       ALA   9 -11.225  -0.060  -3.545
   59    H    LEU  10           H        LEU  10 -10.640   2.332  -2.622
   60    HA   LEU  10           HA       LEU  10  -8.653   3.078  -4.586
   61   1HB   LEU  10          2HB       LEU  10 -10.864   4.694  -3.310
   62   2HB   LEU  10          3HB       LEU  10  -9.869   5.226  -4.652
   63    HG   LEU  10           HG       LEU  10 -11.710   2.833  -4.747
   64   1HD1  LEU  10          1HD1      LEU  10 -12.124   5.709  -5.444
   65   2HD1  LEU  10          2HD1      LEU  10 -12.952   4.445  -6.357
   66   3HD1  LEU  10          3HD1      LEU  10 -13.205   4.586  -4.616
   67   1HD2  LEU  10          1HD2      LEU  10 -10.021   2.518  -6.347
   68   2HD2  LEU  10          2HD2      LEU  10 -11.368   3.220  -7.242
   69   3HD2  LEU  10          3HD2      LEU  10  -9.995   4.227  -6.782
   70    H    GLY  11           H        GLY  11  -9.705   4.321  -1.438
   71   1HA   GLY  11          1HA       GLY  11  -8.342   4.866   0.383
   72   2HA   GLY  11          2HA       GLY  11  -6.934   4.700  -0.651
   73    HA   PRO  12           HA       PRO  12  -8.590   9.137  -1.536
   74   1HB   PRO  12          2HB       PRO  12 -10.757   9.608   0.362
   75   2HB   PRO  12          3HB       PRO  12 -10.762   9.781  -1.394
   76   1HG   PRO  12          2HG       PRO  12 -12.143   7.834  -0.113
   77   2HG   PRO  12          3HG       PRO  12 -11.459   7.617  -1.735
   78   1HD   PRO  12          2HD       PRO  12 -10.397   6.686   0.909
   79   2HD   PRO  12          3HD       PRO  12 -10.465   5.825  -0.646
   80    H    LEU  13           H        LEU  13  -7.366  10.673  -0.695
   81    HA   LEU  13           HA       LEU  13  -5.885  11.673   0.737
   82   1HB   LEU  13          2HB       LEU  13  -8.433  11.705   2.350
   83   2HB   LEU  13          3HB       LEU  13  -7.016  12.664   2.733
   84    HG   LEU  13           HG       LEU  13  -8.662  12.883   0.212
   85   1HD1  LEU  13          1HD1      LEU  13  -8.494  15.259   1.810
   86   2HD1  LEU  13          2HD1      LEU  13  -9.920  14.372   1.270
   87   3HD1  LEU  13          3HD1      LEU  13  -9.120  13.921   2.774
   88   1HD2  LEU  13          1HD2      LEU  13  -6.833  15.051   0.800
   89   2HD2  LEU  13          2HD2      LEU  13  -5.989  13.519   0.579
   90   3HD2  LEU  13          3HD2      LEU  13  -7.053  14.132  -0.689
   91    HA   PRO  14           HA       PRO  14  -5.251   7.713   3.246
   92   1HB   PRO  14          2HB       PRO  14  -2.624   7.449   2.413
   93   2HB   PRO  14          3HB       PRO  14  -4.003   6.613   1.693
   94   1HG   PRO  14          2HG       PRO  14  -2.596   9.086   0.787
   95   2HG   PRO  14          3HG       PRO  14  -3.245   7.746  -0.177
   96   1HD   PRO  14          2HD       PRO  14  -4.535  10.091   0.019
   97   2HD   PRO  14          3HD       PRO  14  -5.415   8.548  -0.055
   98    H    ASP  15           H        ASP  15  -4.723   8.007   5.298
   99    HA   ASP  15           HA       ASP  15  -3.265  10.348   6.141
  100   1HB   ASP  15          2HB       ASP  15  -4.496   8.052   7.680
  101   2HB   ASP  15          3HB       ASP  15  -3.703   9.427   8.440
  102    H    GLY  16           H        GLY  16  -1.404   9.281   4.734
  103   1HA   GLY  16          1HA       GLY  16   0.737   8.699   6.390
  104   2HA   GLY  16          2HA       GLY  16   0.077   7.156   5.866
  105    H    TRP  17           H        TRP  17  -0.805   7.883   3.341
  106    HA   TRP  17           HA       TRP  17   1.715   8.221   1.893
  107   1HB   TRP  17          2HB       TRP  17  -1.007   7.221   1.089
  108   2HB   TRP  17          3HB       TRP  17   0.183   7.703  -0.112
  109    HD1  TRP  17           HD1      TRP  17  -0.527   4.967   2.463
  110    HE1  TRP  17           HE1      TRP  17   0.996   2.954   1.926
  111    HE3  TRP  17           HE3      TRP  17   2.432   7.106  -1.119
  112    HZ2  TRP  17           HZ2      TRP  17   3.133   2.347   0.220
  113    HZ3  TRP  17           HZ3      TRP  17   4.199   5.735  -2.142
  114    HH2  TRP  17           HH2      TRP  17   4.545   3.409  -1.484
  115    H    GLU  18           H        GLU  18   1.400   9.440  -0.213
  116    HA   GLU  18           HA       GLU  18  -0.542  11.599  -0.074
  117   1HB   GLU  18          2HB       GLU  18   2.434  12.028  -0.405
  118   2HB   GLU  18          3HB       GLU  18   1.234  13.225  -0.870
  119   1HG   GLU  18          2HG       GLU  18   0.464  13.379   1.426
  120   2HG   GLU  18          3HG       GLU  18   1.608  12.127   1.908
  121    H    LYS  19           H        LYS  19  -1.507  11.791  -2.000
  122    HA   LYS  19           HA       LYS  19  -0.207  10.483  -4.295
  123   1HB   LYS  19          2HB       LYS  19  -2.576  10.284  -5.196
  124   2HB   LYS  19          3HB       LYS  19  -2.176   9.263  -3.823
  125   1HG   LYS  19          2HG       LYS  19  -3.276  10.915  -2.339
  126   2HG   LYS  19          3HG       LYS  19  -3.771  11.814  -3.777
  127   1HD   LYS  19          2HD       LYS  19  -4.473   8.933  -3.230
  128   2HD   LYS  19          3HD       LYS  19  -5.532  10.300  -2.882
  129   1HE   LYS  19          2HE       LYS  19  -4.454   9.597  -5.609
  130   2HE   LYS  19          3HE       LYS  19  -6.061   9.174  -5.022
  131   1HZ   LYS  19          1HZ       LYS  19  -5.107  11.656  -6.082
  132   2HZ   LYS  19          2HZ       LYS  19  -5.867  11.864  -4.585
  133   3HZ   LYS  19          3HZ       LYS  19  -6.697  11.114  -5.860
  134    H    LYS  20           H        LYS  20   0.054  11.631  -6.168
  135    HA   LYS  20           HA       LYS  20  -1.079  14.325  -6.237
  136   1HB   LYS  20          2HB       LYS  20   1.573  13.915  -5.627
  137   2HB   LYS  20          3HB       LYS  20   1.625  14.136  -7.370
  138   1HG   LYS  20          2HG       LYS  20   0.772  16.300  -7.242
  139   2HG   LYS  20          3HG       LYS  20   0.171  16.064  -5.600
  140   1HD   LYS  20          2HD       LYS  20   3.080  16.141  -6.400
  141   2HD   LYS  20          3HD       LYS  20   2.188  17.476  -5.667
  142   1HE   LYS  20          2HE       LYS  20   1.716  16.014  -3.715
  143   2HE   LYS  20          3HE       LYS  20   2.744  14.779  -4.437
  144   1HZ   LYS  20          1HZ       LYS  20   3.798  16.249  -2.713
  145   2HZ   LYS  20          2HZ       LYS  20   3.722  17.513  -3.844
  146   3HZ   LYS  20          3HZ       LYS  20   4.636  16.121  -4.182
  147    H    ILE  21           H        ILE  21  -2.242  14.451  -8.063
  148    HA   ILE  21           HA       ILE  21  -1.850  12.432 -10.089
  149    HB   ILE  21           HB       ILE  21  -4.116  12.926  -9.388
  150   1HG1  ILE  21          2HG1      ILE  21  -5.132  13.398 -11.644
  151   2HG1  ILE  21          3HG1      ILE  21  -3.510  13.737 -12.237
  152   1HG2  ILE  21          1HG2      ILE  21  -3.545  15.717 -10.363
  153   2HG2  ILE  21          2HG2      ILE  21  -5.172  15.102 -10.063
  154   3HG2  ILE  21          3HG2      ILE  21  -4.011  15.208  -8.739
  155   1HD1  ILE  21          1HD1      ILE  21  -4.616  11.126 -11.262
  156   2HD1  ILE  21          2HD1      ILE  21  -3.997  11.527 -12.862
  157   3HD1  ILE  21          3HD1      ILE  21  -2.892  11.406 -11.495
  158    H    GLN  22           H        GLN  22  -0.875  12.630 -11.963
  159    HA   GLN  22           HA       GLN  22   0.020  15.274 -12.855
  160   1HB   GLN  22          2HB       GLN  22   1.650  13.326 -12.598
  161   2HB   GLN  22          3HB       GLN  22   0.825  12.574 -13.956
  162   1HG   GLN  22          2HG       GLN  22   2.742  13.612 -14.827
  163   2HG   GLN  22          3HG       GLN  22   1.377  14.623 -15.294
  164   1HE2  GLN  22          1HE2      GLN  22   2.026  14.969 -12.016
  165   2HE2  GLN  22          2HE2      GLN  22   2.953  16.430 -12.105
  166    H    SER  23           H        SER  23  -0.664  16.106 -14.761
  167    HA   SER  23           HA       SER  23  -3.164  15.904 -15.578
  168   1HB   SER  23          2HB       SER  23  -1.512  17.595 -16.348
  169   2HB   SER  23          3HB       SER  23  -0.915  16.429 -17.528
  170    HG   SER  23           HG       SER  23  -2.548  16.875 -18.771
  171    H    ASP  24           H        ASP  24  -0.611  13.924 -17.045
  172    HA   ASP  24           HA       ASP  24  -2.085  12.923 -19.126
  173   1HB   ASP  24          2HB       ASP  24   0.198  11.678 -17.599
  174   2HB   ASP  24          3HB       ASP  24  -0.508  10.896 -19.008
  175    H    ASN  25           H        ASN  25  -1.707  11.488 -15.926
  176    HA   ASN  25           HA       ASN  25  -3.930  10.642 -14.981
  177   1HB   ASN  25          2HB       ASN  25  -4.907   8.734 -15.976
  178   2HB   ASN  25          3HB       ASN  25  -4.618   9.822 -17.324
  179   1HD2  ASN  25          1HD2      ASN  25  -4.637   6.753 -16.623
  180   2HD2  ASN  25          2HD2      ASN  25  -3.345   6.160 -17.611
  181    H    ARG  26           H        ARG  26  -1.169  10.802 -14.579
  182    HA   ARG  26           HA       ARG  26  -0.533   8.118 -13.535
  183   1HB   ARG  26          2HB       ARG  26   1.354  10.458 -13.906
  184   2HB   ARG  26          3HB       ARG  26   1.790   8.845 -13.355
  185   1HG   ARG  26          2HG       ARG  26   1.234   7.908 -15.502
  186   2HG   ARG  26          3HG       ARG  26   0.634   9.468 -16.066
  187   1HD   ARG  26          2HD       ARG  26   2.824   9.116 -16.970
  188   2HD   ARG  26          3HD       ARG  26   2.916  10.393 -15.761
  189    HE   ARG  26           HE       ARG  26   4.408   9.114 -14.633
  190   1HH1  ARG  26          2HH1      ARG  26   2.508   6.976 -16.678
  191   2HH1  ARG  26          1HH1      ARG  26   3.405   5.556 -16.226
  192   1HH2  ARG  26          2HH2      ARG  26   5.577   7.254 -14.055
  193   2HH2  ARG  26          1HH2      ARG  26   5.128   5.704 -14.715
  194    H    VAL  27           H        VAL  27  -0.401   7.886 -11.289
  195    HA   VAL  27           HA       VAL  27  -0.869  10.361  -9.776
  196    HB   VAL  27           HB       VAL  27  -1.492   7.557  -8.841
  197   1HG1  VAL  27          1HG1      VAL  27  -0.980   9.027  -7.016
  198   2HG1  VAL  27          2HG1      VAL  27  -2.075  10.260  -7.647
  199   3HG1  VAL  27          3HG1      VAL  27  -2.719   8.732  -7.044
  200   1HG2  VAL  27          1HG2      VAL  27  -3.891   8.909  -8.991
  201   2HG2  VAL  27          2HG2      VAL  27  -3.059   9.394 -10.470
  202   3HG2  VAL  27          3HG2      VAL  27  -3.319   7.684 -10.124
  203    H    TYR  28           H        TYR  28   0.874  10.972  -8.547
  204    HA   TYR  28           HA       TYR  28   3.040   9.030  -8.285
  205   1HB   TYR  28          2HB       TYR  28   2.753  11.914  -7.408
  206   2HB   TYR  28          3HB       TYR  28   4.123  10.915  -6.941
  207    HD1  TYR  28           HD1      TYR  28   5.796  12.237  -7.992
  208    HD2  TYR  28           HD2      TYR  28   2.530  10.752 -10.281
  209    HE1  TYR  28           HE1      TYR  28   6.966  12.862 -10.058
  210    HE2  TYR  28           HE2      TYR  28   3.695  11.375 -12.354
  211    HH   TYR  28           HH       TYR  28   5.774  11.929 -13.212
  212    H    PHE  29           H        PHE  29   3.721   8.262  -6.179
  213    HA   PHE  29           HA       PHE  29   1.841   8.855  -4.048
  214   1HB   PHE  29          2HB       PHE  29   2.164   6.473  -3.214
  215   2HB   PHE  29          3HB       PHE  29   1.068   6.725  -4.552
  216    HD1  PHE  29           HD1      PHE  29   1.963   6.190  -6.903
  217    HD2  PHE  29           HD2      PHE  29   3.794   4.867  -3.300
  218    HE1  PHE  29           HE1      PHE  29   2.969   4.299  -8.107
  219    HE2  PHE  29           HE2      PHE  29   4.819   2.988  -4.505
  220    HZ   PHE  29           HZ       PHE  29   4.402   2.698  -6.913
  221    H    VAL  30           H        VAL  30   2.726   9.449  -2.274
  222    HA   VAL  30           HA       VAL  30   5.634   9.116  -1.929
  223    HB   VAL  30           HB       VAL  30   4.168  11.686  -1.331
  224   1HG1  VAL  30          1HG1      VAL  30   6.108  12.372  -0.517
  225   2HG1  VAL  30          2HG1      VAL  30   6.744  10.744  -0.755
  226   3HG1  VAL  30          3HG1      VAL  30   6.934  11.960  -2.020
  227   1HG2  VAL  30          1HG2      VAL  30   4.585  10.709  -3.911
  228   2HG2  VAL  30          2HG2      VAL  30   4.177  12.362  -3.446
  229   3HG2  VAL  30          3HG2      VAL  30   5.865  11.893  -3.648
  230    H    ASN  31           H        ASN  31   5.655   7.855  -0.101
  231    HA   ASN  31           HA       ASN  31   3.692   8.379   1.973
  232   1HB   ASN  31          2HB       ASN  31   4.436   6.053   1.377
  233   2HB   ASN  31          3HB       ASN  31   6.036   6.459   1.983
  234   1HD2  ASN  31          1HD2      ASN  31   3.088   5.160   2.736
  235   2HD2  ASN  31          2HD2      ASN  31   3.169   5.224   4.467
  236    H    HIS  32           H        HIS  32   4.051   9.891   3.455
  237    HA   HIS  32           HA       HIS  32   6.645  11.079   3.658
  238   1HB   HIS  32          2HB       HIS  32   5.537  12.687   5.220
  239   2HB   HIS  32          3HB       HIS  32   4.758  12.564   3.650
  240    HD1  HIS  32           HD1      HIS  32   4.280  11.164   7.172
  241    HD2  HIS  32           HD2      HIS  32   2.078  12.246   3.810
  242    HE1  HIS  32           HE1      HIS  32   1.867  10.881   7.818
  243    HE2  HIS  32           HE2      HIS  32   0.554  11.732   5.843
  244    H    LYS  33           H        LYS  33   4.808   8.866   5.480
  245    HA   LYS  33           HA       LYS  33   6.115   9.101   7.953
  246   1HB   LYS  33          2HB       LYS  33   3.970   7.808   7.400
  247   2HB   LYS  33          3HB       LYS  33   5.025   6.507   6.861
  248   1HG   LYS  33          2HG       LYS  33   4.447   5.959   9.059
  249   2HG   LYS  33          3HG       LYS  33   6.082   6.613   9.166
  250   1HD   LYS  33          2HD       LYS  33   4.741   7.515  10.957
  251   2HD   LYS  33          3HD       LYS  33   5.126   8.799   9.809
  252   1HE   LYS  33          2HE       LYS  33   2.777   8.868  10.563
  253   2HE   LYS  33          3HE       LYS  33   2.931   8.634   8.822
  254   1HZ   LYS  33          1HZ       LYS  33   1.283   7.193  10.163
  255   2HZ   LYS  33          2HZ       LYS  33   2.654   6.295  10.589
  256   3HZ   LYS  33          3HZ       LYS  33   2.226   6.463   8.956
  257    H    ASN  34           H        ASN  34   6.857   7.209   5.055
  258    HA   ASN  34           HA       ASN  34   9.353   6.295   6.308
  259   1HB   ASN  34          2HB       ASN  34   7.702   4.655   5.259
  260   2HB   ASN  34          3HB       ASN  34   8.166   5.332   3.704
  261   1HD2  ASN  34          1HD2      ASN  34  10.607   5.161   6.131
  262   2HD2  ASN  34          2HD2      ASN  34  11.459   3.808   5.469
  263    H    ARG  35           H        ARG  35   8.153   8.580   4.115
  264    HA   ARG  35           HA       ARG  35   9.081  10.072   2.713
  265   1HB   ARG  35          2HB       ARG  35  11.610   9.228   4.123
  266   2HB   ARG  35          3HB       ARG  35  11.559  10.512   2.920
  267   1HG   ARG  35          2HG       ARG  35  10.047  10.455   5.526
  268   2HG   ARG  35          3HG       ARG  35  11.474  11.429   5.162
  269   1HD   ARG  35          2HD       ARG  35  10.256  12.629   3.450
  270   2HD   ARG  35          3HD       ARG  35   8.842  11.608   3.702
  271    HE   ARG  35           HE       ARG  35   9.578  12.879   6.123
  272   1HH1  ARG  35          2HH1      ARG  35   8.038  13.461   3.035
  273   2HH1  ARG  35          1HH1      ARG  35   7.166  14.861   3.584
  274   1HH2  ARG  35          2HH2      ARG  35   8.396  14.712   6.867
  275   2HH2  ARG  35          1HH2      ARG  35   7.337  15.549   5.762
  276    H    THR  36           H        THR  36   8.313   8.337   1.208
  277    HA   THR  36           HA       THR  36  10.473   7.765  -0.675
  278    HB   THR  36           HB       THR  36  10.356   5.718   0.610
  279    HG1  THR  36           HG1      THR  36  10.695   4.962  -1.346
  280   1HG2  THR  36          1HG2      THR  36   7.415   5.662  -0.071
  281   2HG2  THR  36          2HG2      THR  36   8.107   5.937   1.529
  282   3HG2  THR  36          3HG2      THR  36   8.307   4.373   0.738
  283    H    THR  37           H        THR  37   9.861   8.169  -2.748
  284    HA   THR  37           HA       THR  37   6.967   8.432  -3.253
  285    HB   THR  37           HB       THR  37   8.004  10.630  -3.186
  286    HG1  THR  37           HG1      THR  37   6.363  10.166  -4.794
  287   1HG2  THR  37          1HG2      THR  37   9.587  10.594  -5.555
  288   2HG2  THR  37          2HG2      THR  37  10.169   9.332  -4.470
  289   3HG2  THR  37          3HG2      THR  37  10.072  11.001  -3.910
  290    H    GLN  38           H        GLN  38   6.147   7.698  -5.131
  291    HA   GLN  38           HA       GLN  38   7.841   6.555  -7.233
  292   1HB   GLN  38          2HB       GLN  38   6.126   5.047  -5.307
  293   2HB   GLN  38          3HB       GLN  38   6.262   4.468  -6.960
  294   1HG   GLN  38          2HG       GLN  38   8.533   4.886  -5.034
  295   2HG   GLN  38          3HG       GLN  38   7.837   3.339  -5.511
  296   1HE2  GLN  38          1HE2      GLN  38  10.467   5.030  -5.887
  297   2HE2  GLN  38          2HE2      GLN  38  10.887   4.676  -7.535
  298    H    TRP  39           H        TRP  39   6.744   6.216  -9.206
  299    HA   TRP  39           HA       TRP  39   4.270   7.726  -9.457
  300   1HB   TRP  39          2HB       TRP  39   5.477   6.582 -11.887
  301   2HB   TRP  39          3HB       TRP  39   4.958   8.231 -11.553
  302    HD1  TRP  39           HD1      TRP  39   6.775   9.937 -10.737
  303    HE1  TRP  39           HE1      TRP  39   9.342   9.835 -10.527
  304    HE3  TRP  39           HE3      TRP  39   7.430   4.910 -11.343
  305    HZ2  TRP  39           HZ2      TRP  39  11.374   7.871 -10.625
  306    HZ3  TRP  39           HZ3      TRP  39   9.711   3.997 -11.280
  307    HH2  TRP  39           HH2      TRP  39  11.643   5.450 -10.929
  308    H    GLU  40           H        GLU  40   2.352   6.842  -9.584
  309    HA   GLU  40           HA       GLU  40   1.098   5.400 -11.227
  310   1HB   GLU  40          2HB       GLU  40   2.854   3.545 -11.064
  311   2HB   GLU  40          3HB       GLU  40   2.098   3.113  -9.532
  312   1HG   GLU  40          2HG       GLU  40   0.025   2.638 -10.602
  313   2HG   GLU  40          3HG       GLU  40   0.597   3.297 -12.130
  314    H    ASP  41           H        ASP  41   1.083   3.428  -8.416
  315    HA   ASP  41           HA       ASP  41  -0.349   4.841  -6.505
  316   1HB   ASP  41          2HB       ASP  41  -2.053   4.901  -8.463
  317   2HB   ASP  41          3HB       ASP  41  -2.264   3.182  -8.157
  318    HA   PRO  42           HA       PRO  42   0.601   0.670  -5.038
  319   1HB   PRO  42          2HB       PRO  42   0.451   1.505  -2.313
  320   2HB   PRO  42          3HB       PRO  42   1.909   1.367  -3.299
  321   1HG   PRO  42          2HG       PRO  42   0.890   3.750  -2.311
  322   2HG   PRO  42          3HG       PRO  42   1.989   3.605  -3.698
  323   1HD   PRO  42          2HD       PRO  42  -0.994   3.831  -3.650
  324   2HD   PRO  42          3HD       PRO  42   0.174   4.692  -4.698
  325    H    ARG  43           H        ARG  43  -2.100   1.353  -5.742
  326    HA   ARG  43           HA       ARG  43  -3.601  -0.388  -4.019
  327   1HB   ARG  43          2HB       ARG  43  -3.357   2.187  -3.120
  328   2HB   ARG  43          3HB       ARG  43  -4.835   2.287  -4.069
  329   1HG   ARG  43          2HG       ARG  43  -5.855   0.561  -2.746
  330   2HG   ARG  43          3HG       ARG  43  -4.347   0.294  -1.870
  331   1HD   ARG  43          2HD       ARG  43  -6.021   2.805  -1.851
  332   2HD   ARG  43          3HD       ARG  43  -5.880   1.637  -0.539
  333    HE   ARG  43           HE       ARG  43  -3.713   2.430  -0.094
  334   1HH1  ARG  43          2HH1      ARG  43  -5.344   4.276  -2.564
  335   2HH1  ARG  43          1HH1      ARG  43  -4.115   5.502  -2.657
  336   1HH2  ARG  43          2HH2      ARG  43  -2.092   4.066  -0.177
  337   2HH2  ARG  43          1HH2      ARG  43  -2.278   5.399  -1.277
  338    H    THR  44           H        THR  44  -5.276  -1.239  -5.113
  339    HA   THR  44           HA       THR  44  -6.547  -1.834  -6.898
  340    HB   THR  44           HB       THR  44  -6.852   1.138  -7.386
  341    HG1  THR  44           HG1      THR  44  -7.519   0.748  -5.293
  342   1HG2  THR  44          1HG2      THR  44  -8.896   0.586  -8.498
  343   2HG2  THR  44          2HG2      THR  44  -8.776  -1.104  -8.008
  344   3HG2  THR  44          3HG2      THR  44  -7.643  -0.443  -9.189
  345    H    GLN  45           H        GLN  45  -3.949  -2.076  -7.358
  346    HA   GLN  45           HA       GLN  45  -3.174  -0.669  -9.755
  347   1HB   GLN  45          2HB       GLN  45  -1.834  -1.411  -7.556
  348   2HB   GLN  45          3HB       GLN  45  -1.498  -2.807  -8.566
  349   1HG   GLN  45          2HG       GLN  45  -0.669  -1.217 -10.314
  350   2HG   GLN  45          3HG       GLN  45  -0.814   0.063  -9.107
  351   1HE2  GLN  45          1HE2      GLN  45   0.895   0.446  -7.911
  352   2HE2  GLN  45          2HE2      GLN  45   2.218  -0.650  -7.637
  353    H    GLY  46           H        GLY  46  -1.474  -3.310 -10.104
  354   1HA   GLY  46          1HA       GLY  46  -3.044  -5.410 -10.945
  355   2HA   GLY  46          2HA       GLY  46  -2.969  -4.313 -12.316
  356    H    GLN  47           H        GLN  47  -0.399  -3.360 -12.037
  357    HA   GLN  47           HA       GLN  47   1.000  -5.422 -13.344
  358   1HB   GLN  47          2HB       GLN  47   1.858  -2.708 -12.373
  359   2HB   GLN  47          3HB       GLN  47   2.935  -3.784 -13.250
  360   1HG   GLN  47          2HG       GLN  47   1.409  -3.779 -15.149
  361   2HG   GLN  47          3HG       GLN  47   0.318  -2.707 -14.271
  362   1HE2  GLN  47          1HE2      GLN  47   3.171  -1.691 -13.256
  363   2HE2  GLN  47          2HE2      GLN  47   3.552  -0.501 -14.449
  364    H    GLU  48           H        GLU  48   1.168  -4.296 -10.005
  365    HA   GLU  48           HA       GLU  48   3.362  -6.221  -9.601
  366   1HB   GLU  48          2HB       GLU  48   4.175  -3.898  -9.697
  367   2HB   GLU  48          3HB       GLU  48   3.105  -3.474  -8.368
  368   1HG   GLU  48          2HG       GLU  48   5.310  -3.746  -7.514
  369   2HG   GLU  48          3HG       GLU  48   4.321  -5.084  -6.936
  370    H    VAL  49           H        VAL  49   0.727  -4.449  -7.962
  371    HA   VAL  49           HA       VAL  49   0.290  -6.702  -6.232
  372    HB   VAL  49           HB       VAL  49   0.345  -5.223  -4.154
  373   1HG1  VAL  49          1HG1      VAL  49   1.954  -6.923  -4.268
  374   2HG1  VAL  49          2HG1      VAL  49   2.850  -6.111  -5.551
  375   3HG1  VAL  49          3HG1      VAL  49   2.866  -5.455  -3.913
  376   1HG2  VAL  49          1HG2      VAL  49   2.061  -3.518  -5.956
  377   2HG2  VAL  49          2HG2      VAL  49   0.519  -3.063  -5.224
  378   3HG2  VAL  49          3HG2      VAL  49   1.934  -3.337  -4.205
  379    H    SER  50           H        SER  50  -1.128  -5.238  -4.311
  380    HA   SER  50           HA       SER  50  -3.176  -4.385  -3.827
  381   1HB   SER  50          2HB       SER  50  -3.270  -3.329  -6.656
  382   2HB   SER  50          3HB       SER  50  -4.232  -2.788  -5.281
  383    HG   SER  50           HG       SER  50  -1.425  -2.697  -5.153
  384    H    LEU  51           H        LEU  51  -3.538  -6.700  -3.795
  385    HA   LEU  51           HA       LEU  51  -4.755  -8.565  -4.212
  386   1HB   LEU  51          2HB       LEU  51  -6.310  -6.803  -6.115
  387   2HB   LEU  51          3HB       LEU  51  -6.757  -8.437  -5.668
  388    HG   LEU  51           HG       LEU  51  -6.625  -6.072  -3.796
  389   1HD1  LEU  51          1HD1      LEU  51  -8.712  -5.648  -4.399
  390   2HD1  LEU  51          2HD1      LEU  51  -8.638  -6.951  -5.587
  391   3HD1  LEU  51          3HD1      LEU  51  -9.183  -7.285  -3.943
  392   1HD2  LEU  51          1HD2      LEU  51  -6.072  -8.435  -2.912
  393   2HD2  LEU  51          2HD2      LEU  51  -7.275  -7.467  -2.058
  394   3HD2  LEU  51          3HD2      LEU  51  -7.790  -8.753  -3.151
  395    H    ILE  52           H        ILE  52  -2.338  -8.306  -5.340
  396    HA   ILE  52           HA       ILE  52  -2.709  -9.772  -7.852
  397    HB   ILE  52           HB       ILE  52  -0.521  -7.760  -7.232
  398   1HG1  ILE  52          2HG1      ILE  52  -2.660  -6.865  -8.126
  399   2HG1  ILE  52          3HG1      ILE  52  -1.282  -6.595  -9.196
  400   1HG2  ILE  52          1HG2      ILE  52  -0.710  -9.700  -9.534
  401   2HG2  ILE  52          2HG2      ILE  52   0.465  -8.392  -9.399
  402   3HG2  ILE  52          3HG2      ILE  52   0.485  -9.720  -8.239
  403   1HD1  ILE  52          1HD1      ILE  52  -3.333  -8.787  -9.495
  404   2HD1  ILE  52          2HD1      ILE  52  -3.300  -7.278 -10.408
  405   3HD1  ILE  52          3HD1      ILE  52  -1.996  -8.450 -10.592
  406    H    ASN  53           H        ASN  53  -2.540 -11.709  -6.699
  407    HA   ASN  53           HA       ASN  53  -0.694 -12.136  -4.604
  408   1HB   ASN  53          2HB       ASN  53  -2.295 -14.087  -6.263
  409   2HB   ASN  53          3HB       ASN  53  -1.368 -14.543  -4.839
  410   1HD2  ASN  53          1HD2      ASN  53  -2.231 -11.705  -3.823
  411   2HD2  ASN  53          2HD2      ASN  53  -3.800 -12.022  -3.162
  412    H    GLU  54           H        GLU  54   1.241 -11.334  -5.816
  413    HA   GLU  54           HA       GLU  54   2.946 -13.448  -6.532
  414   1HB   GLU  54          2HB       GLU  54   1.514 -13.248  -8.611
  415   2HB   GLU  54          3HB       GLU  54   2.222 -11.655  -8.838
  416   1HG   GLU  54          2HG       GLU  54   4.417 -12.617  -9.075
  417   2HG   GLU  54          3HG       GLU  54   3.784 -14.222  -8.709
  418    H    GLY  55           H        GLY  55   2.212 -10.201  -6.145
  419   1HA   GLY  55          1HA       GLY  55   4.999  -9.340  -6.420
  420   2HA   GLY  55          2HA       GLY  55   3.616  -8.276  -6.206
  421    HA   PRO  56           HA       PRO  56   5.286 -10.005  -1.970
  422   1HB   PRO  56          2HB       PRO  56   8.095  -9.309  -2.289
  423   2HB   PRO  56          3HB       PRO  56   7.379 -10.858  -1.844
  424   1HG   PRO  56          2HG       PRO  56   8.623 -10.443  -4.216
  425   2HG   PRO  56          3HG       PRO  56   7.286 -11.591  -4.017
  426   1HD   PRO  56          2HD       PRO  56   7.250  -8.808  -5.130
  427   2HD   PRO  56          3HD       PRO  56   6.418 -10.267  -5.712
  428    H    LEU  57           H        LEU  57   4.108  -7.655  -2.376
  429    HA   LEU  57           HA       LEU  57   5.684  -5.727  -0.846
  430   1HB   LEU  57          2HB       LEU  57   6.240  -5.337  -3.196
  431   2HB   LEU  57          3HB       LEU  57   4.539  -5.265  -3.606
  432    HG   LEU  57           HG       LEU  57   4.464  -3.269  -1.965
  433   1HD1  LEU  57          1HD1      LEU  57   7.191  -3.946  -1.774
  434   2HD1  LEU  57          2HD1      LEU  57   7.099  -2.408  -2.633
  435   3HD1  LEU  57          3HD1      LEU  57   6.353  -2.578  -1.045
  436   1HD2  LEU  57          1HD2      LEU  57   5.497  -3.368  -4.750
  437   2HD2  LEU  57          2HD2      LEU  57   4.000  -2.682  -4.119
  438   3HD2  LEU  57          3HD2      LEU  57   5.524  -1.823  -3.896
  439    HA   PRO  58           HA       PRO  58   1.724  -5.061   1.023
  440   1HB   PRO  58          2HB       PRO  58   2.688  -2.349   1.672
  441   2HB   PRO  58          3HB       PRO  58   2.207  -3.660   2.752
  442   1HG   PRO  58          2HG       PRO  58   4.770  -2.949   2.479
  443   2HG   PRO  58          3HG       PRO  58   4.296  -4.646   2.698
  444   1HD   PRO  58          2HD       PRO  58   5.076  -3.201   0.196
  445   2HD   PRO  58          3HD       PRO  58   5.515  -4.835   0.738
  446    HA   PRO  59           HA       PRO  59  -0.282  -2.631  -2.248
  447   1HB   PRO  59          2HB       PRO  59  -2.677  -4.086  -1.599
  448   2HB   PRO  59          3HB       PRO  59  -1.644  -4.257  -3.017
  449   1HG   PRO  59          2HG       PRO  59  -1.926  -6.177  -1.088
  450   2HG   PRO  59          3HG       PRO  59  -0.498  -6.014  -2.124
  451   1HD   PRO  59          2HD       PRO  59  -0.912  -5.089   0.695
  452   2HD   PRO  59          3HD       PRO  59   0.515  -5.850  -0.045
  453    H    GLY  60           H        GLY  60  -0.360  -0.635  -1.113
  454   1HA   GLY  60          1HA       GLY  60  -1.608   1.151  -0.335
  455   2HA   GLY  60          2HA       GLY  60  -2.982   0.063  -0.176
  456    H    TRP  61           H        TRP  61   0.219  -0.060   1.233
  457    HA   TRP  61           HA       TRP  61  -1.069  -0.299   3.872
  458   1HB   TRP  61          2HB       TRP  61   1.437  -1.555   2.787
  459   2HB   TRP  61          3HB       TRP  61   1.116  -1.472   4.519
  460    HD1  TRP  61           HD1      TRP  61  -1.148  -2.435   1.540
  461    HE1  TRP  61           HE1      TRP  61  -2.372  -4.577   2.113
  462    HE3  TRP  61           HE3      TRP  61   0.989  -3.318   6.070
  463    HZ2  TRP  61           HZ2      TRP  61  -2.318  -6.548   4.210
  464    HZ3  TRP  61           HZ3      TRP  61   0.341  -5.320   7.312
  465    HH2  TRP  61           HH2      TRP  61  -1.272  -6.920   6.400
  466    H    GLU  62           H        GLU  62  -0.005   0.456   5.716
  467    HA   GLU  62           HA       GLU  62   1.797   2.738   5.233
  468   1HB   GLU  62          2HB       GLU  62  -0.402   3.608   5.639
  469   2HB   GLU  62          3HB       GLU  62  -0.645   2.523   6.994
  470   1HG   GLU  62          2HG       GLU  62  -0.285   4.758   7.787
  471   2HG   GLU  62          3HG       GLU  62   1.066   3.735   8.264
  472    H    ILE  63           H        ILE  63   3.268   3.190   6.870
  473    HA   ILE  63           HA       ILE  63   3.776   0.989   8.729
  474    HB   ILE  63           HB       ILE  63   5.852   2.305   9.357
  475   1HG1  ILE  63          2HG1      ILE  63   5.253   3.738   6.758
  476   2HG1  ILE  63          3HG1      ILE  63   5.126   4.465   8.357
  477   1HG2  ILE  63          1HG2      ILE  63   6.319   1.673   6.560
  478   2HG2  ILE  63          2HG2      ILE  63   6.940   0.898   8.020
  479   3HG2  ILE  63          3HG2      ILE  63   5.357   0.445   7.384
  480   1HD1  ILE  63          1HD1      ILE  63   7.358   4.692   8.577
  481   2HD1  ILE  63          2HD1      ILE  63   7.710   3.208   7.685
  482   3HD1  ILE  63          3HD1      ILE  63   7.289   4.686   6.815
  483    H    ARG  64           H        ARG  64   3.292   1.144  10.790
  484    HA   ARG  64           HA       ARG  64   2.321   3.732  11.798
  485   1HB   ARG  64          2HB       ARG  64   0.442   2.158  11.602
  486   2HB   ARG  64          3HB       ARG  64   1.332   0.968  12.540
  487   1HG   ARG  64          2HG       ARG  64   1.264   2.423  14.485
  488   2HG   ARG  64          3HG       ARG  64   0.403   3.647  13.549
  489   1HD   ARG  64          2HD       ARG  64  -1.107   2.307  14.956
  490   2HD   ARG  64          3HD       ARG  64  -1.467   2.143  13.239
  491    HE   ARG  64           HE       ARG  64  -1.035  -0.082  13.420
  492   1HH1  ARG  64          2HH1      ARG  64   0.465   1.523  16.153
  493   2HH1  ARG  64          1HH1      ARG  64   1.066   0.043  16.853
  494   1HH2  ARG  64          2HH2      ARG  64  -0.282  -2.023  14.344
  495   2HH2  ARG  64          1HH2      ARG  64   0.591  -1.980  15.852
  496    H    TYR  65           H        TYR  65   3.672   4.485  13.307
  497    HA   TYR  65           HA       TYR  65   5.578   2.584  14.437
  498   1HB   TYR  65          2HB       TYR  65   6.935   4.539  15.035
  499   2HB   TYR  65          3HB       TYR  65   6.550   4.508  13.320
  500    HD1  TYR  65           HD1      TYR  65   5.241   6.260  12.319
  501    HD2  TYR  65           HD2      TYR  65   5.876   6.184  16.522
  502    HE1  TYR  65           HE1      TYR  65   4.379   8.554  12.485
  503    HE2  TYR  65           HE2      TYR  65   5.022   8.480  16.699
  504    HH   TYR  65           HH       TYR  65   3.196   9.916  14.743
  505    H    THR  66           H        THR  66   5.859   2.186  16.549
  506    HA   THR  66           HA       THR  66   3.858   3.325  18.377
  507    HB   THR  66           HB       THR  66   3.847   0.885  18.334
  508    HG1  THR  66           HG1      THR  66   4.868   0.742  20.706
  509   1HG2  THR  66          1HG2      THR  66   6.622   0.769  19.429
  510   2HG2  THR  66          2HG2      THR  66   6.379   0.858  17.685
  511   3HG2  THR  66          3HG2      THR  66   5.686  -0.477  18.605
  512    H    ALA  67           H        ALA  67   4.520   4.286  20.267
  513    HA   ALA  67           HA       ALA  67   6.376   6.104  20.260
  514   1HB   ALA  67          1HB       ALA  67   6.527   5.899  22.824
  515   2HB   ALA  67          2HB       ALA  67   4.956   6.189  22.079
  516   3HB   ALA  67          3HB       ALA  67   5.390   4.569  22.621
  517    H    ALA  68           H        ALA  68   7.239   2.796  21.248
  518    HA   ALA  68           HA       ALA  68   9.846   3.415  22.103
  519   1HB   ALA  68          1HB       ALA  68   8.832   1.342  22.748
  520   2HB   ALA  68          2HB       ALA  68   8.683   0.837  21.066
  521   3HB   ALA  68          3HB       ALA  68  10.277   0.981  21.804
  522    H    GLY  69           H        GLY  69   8.546   3.524  19.035
  523   1HA   GLY  69          1HA       GLY  69   9.719   4.380  17.180
  524   2HA   GLY  69          2HA       GLY  69  11.218   3.787  17.875
  525    H    GLU  70           H        GLU  70   8.430   1.724  17.637
  526    HA   GLU  70           HA       GLU  70   9.816   0.171  15.560
  527   1HB   GLU  70          2HB       GLU  70   7.661  -0.694  17.492
  528   2HB   GLU  70          3HB       GLU  70   8.345  -1.707  16.229
  529   1HG   GLU  70          2HG       GLU  70  10.557  -1.479  17.295
  530   2HG   GLU  70          3HG       GLU  70   9.801  -0.564  18.599
  531    H    ARG  71           H        ARG  71   8.922  -0.056  13.606
  532    HA   ARG  71           HA       ARG  71   6.300   1.203  13.189
  533   1HB   ARG  71          2HB       ARG  71   6.926   1.313  10.797
  534   2HB   ARG  71          3HB       ARG  71   8.030   2.195  11.842
  535   1HG   ARG  71          2HG       ARG  71   9.391  -0.037  11.774
  536   2HG   ARG  71          3HG       ARG  71   8.470  -0.299  10.291
  537   1HD   ARG  71          2HD       ARG  71  10.601   0.789   9.828
  538   2HD   ARG  71          3HD       ARG  71   9.244   1.840   9.424
  539    HE   ARG  71           HE       ARG  71   9.974   2.450  12.036
  540   1HH1  ARG  71          2HH1      ARG  71  11.388   2.598   8.823
  541   2HH1  ARG  71          1HH1      ARG  71  12.445   3.924   9.216
  542   1HH2  ARG  71          2HH2      ARG  71  11.337   4.192  12.542
  543   2HH2  ARG  71          1HH2      ARG  71  12.421   4.834  11.342
  544    H    PHE  72           H        PHE  72   4.591   0.099  12.483
  545    HA   PHE  72           HA       PHE  72   4.920  -2.774  11.925
  546   1HB   PHE  72          2HB       PHE  72   2.481  -1.288  12.949
  547   2HB   PHE  72          3HB       PHE  72   2.551  -3.009  12.599
  548    HD1  PHE  72           HD1      PHE  72   4.499  -0.526  14.618
  549    HD2  PHE  72           HD2      PHE  72   2.710  -4.380  14.408
  550    HE1  PHE  72           HE1      PHE  72   5.198  -0.971  16.931
  551    HE2  PHE  72           HE2      PHE  72   3.410  -4.832  16.720
  552    HZ   PHE  72           HZ       PHE  72   4.654  -3.125  17.985
  553    H    PHE  73           H        PHE  73   2.951  -3.513  10.492
  554    HA   PHE  73           HA       PHE  73   2.764  -1.631   8.242
  555   1HB   PHE  73          2HB       PHE  73   2.507  -4.640   8.346
  556   2HB   PHE  73          3HB       PHE  73   2.072  -3.682   6.934
  557    HD1  PHE  73           HD1      PHE  73   3.732  -2.757   5.500
  558    HD2  PHE  73           HD2      PHE  73   4.855  -4.775   9.075
  559    HE1  PHE  73           HE1      PHE  73   6.065  -2.827   4.722
  560    HE2  PHE  73           HE2      PHE  73   7.190  -4.843   8.305
  561    HZ   PHE  73           HZ       PHE  73   7.798  -3.870   6.128
  562    H    VAL  74           H        VAL  74   0.736  -1.227   7.305
  563    HA   VAL  74           HA       VAL  74  -1.631  -2.175   8.760
  564    HB   VAL  74           HB       VAL  74  -1.094   0.749   8.177
  565   1HG1  VAL  74          1HG1      VAL  74  -3.240   1.192   8.602
  566   2HG1  VAL  74          2HG1      VAL  74  -3.525  -0.530   8.356
  567   3HG1  VAL  74          3HG1      VAL  74  -3.284   0.102   9.986
  568   1HG2  VAL  74          1HG2      VAL  74  -1.526   0.465  10.896
  569   2HG2  VAL  74          2HG2      VAL  74  -0.479  -0.896  10.484
  570   3HG2  VAL  74          3HG2      VAL  74   0.023   0.752  10.101
  571    H    ASP  75           H        ASP  75  -3.011  -2.952   7.332
  572    HA   ASP  75           HA       ASP  75  -3.042  -2.007   4.554
  573   1HB   ASP  75          2HB       ASP  75  -3.239  -4.472   5.152
  574   2HB   ASP  75          3HB       ASP  75  -4.813  -4.101   5.844
  575    H    HIS  76           H        HIS  76  -4.790  -0.812   3.702
  576    HA   HIS  76           HA       HIS  76  -6.620   0.201   5.743
  577   1HB   HIS  76          2HB       HIS  76  -5.855   1.411   3.084
  578   2HB   HIS  76          3HB       HIS  76  -7.007   2.115   4.210
  579    HD1  HIS  76           HD1      HIS  76  -3.337   1.085   4.193
  580    HD2  HIS  76           HD2      HIS  76  -5.888   3.886   5.906
  581    HE1  HIS  76           HE1      HIS  76  -1.866   2.613   5.534
  582    HE2  HIS  76           HE2      HIS  76  -3.422   4.293   6.588
  583    H    ASN  77           H        ASN  77  -6.564  -1.297   2.589
  584    HA   ASN  77           HA       ASN  77  -9.403  -0.990   2.119
  585   1HB   ASN  77          2HB       ASN  77  -8.978  -2.627   0.251
  586   2HB   ASN  77          3HB       ASN  77  -8.027  -1.147   0.166
  587   1HD2  ASN  77          1HD2      ASN  77  -5.835  -1.231   0.471
  588   2HD2  ASN  77          2HD2      ASN  77  -4.940  -2.703   0.568
  589    H    THR  78           H        THR  78  -7.277  -3.138   3.652
  590    HA   THR  78           HA       THR  78  -9.447  -5.063   4.192
  591    HB   THR  78           HB       THR  78  -6.541  -5.452   4.916
  592    HG1  THR  78           HG1      THR  78  -6.340  -5.341   2.768
  593   1HG2  THR  78          1HG2      THR  78  -8.010  -7.000   6.009
  594   2HG2  THR  78          2HG2      THR  78  -7.205  -7.859   4.696
  595   3HG2  THR  78          3HG2      THR  78  -8.874  -7.323   4.504
  596    H    ARG  79           H        ARG  79  -7.524  -2.599   5.618
  597    HA   ARG  79           HA       ARG  79  -7.323  -1.719   7.691
  598   1HB   ARG  79          2HB       ARG  79 -10.094  -2.851   7.783
  599   2HB   ARG  79          3HB       ARG  79  -9.386  -2.173   9.242
  600   1HG   ARG  79          2HG       ARG  79  -9.942  -0.765   6.641
  601   2HG   ARG  79          3HG       ARG  79 -10.676  -0.466   8.218
  602   1HD   ARG  79          2HD       ARG  79  -8.263   0.030   8.987
  603   2HD   ARG  79          3HD       ARG  79  -7.907   0.181   7.271
  604    HE   ARG  79           HE       ARG  79  -9.133   2.113   8.918
  605   1HH1  ARG  79          2HH1      ARG  79  -9.476   0.789   5.670
  606   2HH1  ARG  79          1HH1      ARG  79 -10.136   2.260   5.026
  607   1HH2  ARG  79          2HH2      ARG  79  -9.937   4.045   8.029
  608   2HH2  ARG  79          1HH2      ARG  79 -10.363   4.111   6.343
  609    H    ARG  80           H        ARG  80  -5.566  -2.881   8.288
  610    HA   ARG  80           HA       ARG  80  -5.864  -4.749  10.451
  611   1HB   ARG  80          2HB       ARG  80  -6.325  -6.152   8.412
  612   2HB   ARG  80          3HB       ARG  80  -4.698  -5.790   7.860
  613   1HG   ARG  80          2HG       ARG  80  -3.770  -6.919   9.809
  614   2HG   ARG  80          3HG       ARG  80  -5.401  -7.258  10.396
  615   1HD   ARG  80          2HD       ARG  80  -4.210  -8.238   7.801
  616   2HD   ARG  80          3HD       ARG  80  -4.442  -9.201   9.260
  617    HE   ARG  80           HE       ARG  80  -6.929  -8.190   8.641
  618   1HH1  ARG  80          2HH1      ARG  80  -4.552 -10.200   7.010
  619   2HH1  ARG  80          1HH1      ARG  80  -5.744 -11.097   6.115
  620   1HH2  ARG  80          2HH2      ARG  80  -8.495  -9.380   7.464
  621   2HH2  ARG  80          1HH2      ARG  80  -7.977 -10.640   6.377
  622    H    THR  81           H        THR  81  -3.971  -4.907  11.635
  623    HA   THR  81           HA       THR  81  -1.616  -3.598  10.448
  624    HB   THR  81           HB       THR  81  -2.680  -2.136  12.155
  625    HG1  THR  81           HG1      THR  81  -0.283  -2.378  11.725
  626   1HG2  THR  81          1HG2      THR  81  -3.474  -3.059  14.024
  627   2HG2  THR  81          2HG2      THR  81  -1.802  -3.267  14.551
  628   3HG2  THR  81          3HG2      THR  81  -2.629  -4.574  13.701
  629    H    THR  82           H        THR  82   0.415  -4.440  11.035
  630    HA   THR  82           HA       THR  82   0.609  -6.802  12.697
  631    HB   THR  82           HB       THR  82  -0.230  -7.846  10.692
  632    HG1  THR  82           HG1      THR  82   1.904  -8.932  10.006
  633   1HG2  THR  82          1HG2      THR  82   1.308  -5.810   9.365
  634   2HG2  THR  82          2HG2      THR  82   0.044  -6.857   8.719
  635   3HG2  THR  82          3HG2      THR  82   1.721  -7.404   8.729
  636    H    PHE  83           H        PHE  83   2.762  -7.186  13.332
  637    HA   PHE  83           HA       PHE  83   4.582  -5.027  12.822
  638   1HB   PHE  83          2HB       PHE  83   6.189  -6.709  14.110
  639   2HB   PHE  83          3HB       PHE  83   4.995  -5.730  14.947
  640    HD1  PHE  83           HD1      PHE  83   4.091  -6.847  16.709
  641    HD2  PHE  83           HD2      PHE  83   4.859  -9.010  13.127
  642    HE1  PHE  83           HE1      PHE  83   3.155  -8.875  17.736
  643    HE2  PHE  83           HE2      PHE  83   3.916 -11.039  14.147
  644    HZ   PHE  83           HZ       PHE  83   3.062 -10.973  16.455
  645    H    GLU  84           H        GLU  84   4.357  -8.396  11.845
  646    HA   GLU  84           HA       GLU  84   6.793  -8.349  10.344
  647   1HB   GLU  84          2HB       GLU  84   4.505 -10.324  10.285
  648   2HB   GLU  84          3HB       GLU  84   6.088 -10.569   9.558
  649   1HG   GLU  84          2HG       GLU  84   7.123 -10.459  11.761
  650   2HG   GLU  84          3HG       GLU  84   5.542 -10.198  12.493
  651    H    ASP  85           H        ASP  85   7.037  -8.402   8.107
  652    HA   ASP  85           HA       ASP  85   5.447  -6.629   6.630
  653   1HB   ASP  85          2HB       ASP  85   6.729  -7.339   4.666
  654   2HB   ASP  85          3HB       ASP  85   7.783  -7.094   6.049
  655    HA   PRO  86           HA       PRO  86   1.794  -8.651   5.527
  656   1HB   PRO  86          2HB       PRO  86   2.320  -7.663   2.759
  657   2HB   PRO  86          3HB       PRO  86   0.869  -7.501   3.755
  658   1HG   PRO  86          2HG       PRO  86   2.548  -5.457   3.445
  659   2HG   PRO  86          3HG       PRO  86   1.753  -5.764   5.000
  660   1HD   PRO  86          2HD       PRO  86   4.573  -6.223   4.192
  661   2HD   PRO  86          3HD       PRO  86   3.904  -5.822   5.785
  662    H    ARG  87           H        ARG  87   3.845  -8.912   2.588
  663    HA   ARG  87           HA       ARG  87   3.668 -11.807   2.806
  664   1HB   ARG  87          2HB       ARG  87   3.167 -11.788   0.315
  665   2HB   ARG  87          3HB       ARG  87   1.837 -11.472   1.411
  666   1HG   ARG  87          2HG       ARG  87   1.688  -9.276   0.732
  667   2HG   ARG  87          3HG       ARG  87   3.378  -9.219   0.200
  668   1HD   ARG  87          2HD       ARG  87   1.108 -10.709  -1.112
  669   2HD   ARG  87          3HD       ARG  87   1.953  -9.291  -1.744
  670    HE   ARG  87           HE       ARG  87   3.987 -10.959  -1.504
  671   1HH1  ARG  87          2HH1      ARG  87   0.773 -11.644  -2.712
  672   2HH1  ARG  87          1HH1      ARG  87   1.319 -12.904  -3.781
  673   1HH2  ARG  87          2HH2      ARG  87   4.711 -12.529  -2.979
  674   2HH2  ARG  87          1HH2      ARG  87   3.561 -13.366  -3.983
  675    HA   PRO  88           HA       PRO  88   7.770 -11.440   1.118
  676   1HB   PRO  88          2HB       PRO  88   8.177 -14.194   1.102
  677   2HB   PRO  88          3HB       PRO  88   8.491 -13.119   2.464
  678   1HG   PRO  88          2HG       PRO  88   6.515 -15.156   2.288
  679   2HG   PRO  88          3HG       PRO  88   6.756 -13.997   3.603
  680   1HD   PRO  88          2HD       PRO  88   4.803 -13.946   1.376
  681   2HD   PRO  88          3HD       PRO  88   4.699 -13.215   2.990
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -26.098  17.953   2.213
    2   2H    GLY   1          2H        GLY   1 -24.427  17.734   2.041
    3   3H    GLY   1          3H        GLY   1 -25.093  18.003   3.577
    4   1HA   GLY   1          2HA       GLY   1 -24.453  15.606   2.792
    5   2HA   GLY   1          1HA       GLY   1 -25.862  15.899   3.805
    6    H    SER   2           H        SER   2 -25.218  16.350   0.335
    7    HA   SER   2           HA       SER   2 -27.820  15.229  -0.288
    8   1HB   SER   2          2HB       SER   2 -27.193  15.853  -2.632
    9   2HB   SER   2          3HB       SER   2 -27.125  17.208  -1.504
   10    HG   SER   2           HG       SER   2 -25.154  17.430  -2.186
   11    HA   PRO   3           HA       PRO   3 -26.175  11.187  -1.177
   12   1HB   PRO   3          2HB       PRO   3 -28.565  10.577  -2.687
   13   2HB   PRO   3          3HB       PRO   3 -28.102  10.009  -1.081
   14   1HG   PRO   3          2HG       PRO   3 -30.186  11.715  -1.545
   15   2HG   PRO   3          3HG       PRO   3 -29.284  11.649  -0.022
   16   1HD   PRO   3          2HD       PRO   3 -29.040  13.589  -2.289
   17   2HD   PRO   3          3HD       PRO   3 -28.969  13.883  -0.538
   18    H    GLU   4           H        GLU   4 -25.275  13.234  -2.934
   19    HA   GLU   4           HA       GLU   4 -25.798  12.380  -5.651
   20   1HB   GLU   4          2HB       GLU   4 -25.400  14.782  -4.930
   21   2HB   GLU   4          3HB       GLU   4 -23.712  14.349  -4.704
   22   1HG   GLU   4          2HG       GLU   4 -23.528  13.776  -7.061
   23   2HG   GLU   4          3HG       GLU   4 -25.232  14.161  -7.297
   24    H    PHE   5           H        PHE   5 -24.842  10.273  -4.203
   25    HA   PHE   5           HA       PHE   5 -23.303   8.619  -4.136
   26   1HB   PHE   5          2HB       PHE   5 -22.561   9.883  -6.776
   27   2HB   PHE   5          3HB       PHE   5 -21.851   8.382  -6.197
   28    HD1  PHE   5           HD1      PHE   5 -25.263   9.865  -6.587
   29    HD2  PHE   5           HD2      PHE   5 -22.758   6.455  -7.019
   30    HE1  PHE   5           HE1      PHE   5 -27.153   8.601  -7.516
   31    HE2  PHE   5           HE2      PHE   5 -24.646   5.184  -7.951
   32    HZ   PHE   5           HZ       PHE   5 -26.847   6.257  -8.201
   33    H    HIS   6           H        HIS   6 -22.317   9.417  -2.269
   34    HA   HIS   6           HA       HIS   6 -20.341  11.365  -2.164
   35   1HB   HIS   6          2HB       HIS   6 -21.064   9.090  -0.366
   36   2HB   HIS   6          3HB       HIS   6 -19.589   9.996  -0.051
   37    HD1  HIS   6           HD1      HIS   6 -23.289  10.751  -0.602
   38    HD2  HIS   6           HD2      HIS   6 -19.997  12.163   1.517
   39    HE1  HIS   6           HE1      HIS   6 -24.149  12.653   0.800
   40    HE2  HIS   6           HE2      HIS   6 -22.157  13.467   2.113
   41    H    MET   7           H        MET   7 -18.259  11.445  -2.356
   42    HA   MET   7           HA       MET   7 -16.121  10.971  -2.922
   43   1HB   MET   7          2HB       MET   7 -16.010   9.172  -1.395
   44   2HB   MET   7          3HB       MET   7 -16.969   8.124  -2.428
   45   1HG   MET   7          2HG       MET   7 -15.165   7.976  -4.016
   46   2HG   MET   7          3HG       MET   7 -14.221   9.156  -3.108
   47   1HE   MET   7          1HE       MET   7 -15.175   4.852  -1.829
   48   2HE   MET   7          2HE       MET   7 -16.286   6.112  -1.296
   49   3HE   MET   7          3HE       MET   7 -16.037   5.829  -3.018
   50    H    ASP   8           H        ASP   8 -15.170  11.027  -4.766
   51    HA   ASP   8           HA       ASP   8 -16.634  10.059  -7.121
   52   1HB   ASP   8          2HB       ASP   8 -14.941  11.722  -8.279
   53   2HB   ASP   8          3HB       ASP   8 -16.406  12.321  -7.509
   54    H    ALA   9           H        ALA   9 -13.261  10.784  -6.409
   55    HA   ALA   9           HA       ALA   9 -12.239   8.180  -6.640
   56   1HB   ALA   9          1HB       ALA   9 -12.092   9.828  -9.163
   57   2HB   ALA   9          2HB       ALA   9 -11.070   8.428  -8.842
   58   3HB   ALA   9          3HB       ALA   9 -12.817   8.233  -8.967
   59    H    LEU  10           H        LEU  10 -11.783  11.601  -7.202
   60    HA   LEU  10           HA       LEU  10  -9.028  11.681  -6.473
   61   1HB   LEU  10          2HB       LEU  10  -9.753  13.396  -7.908
   62   2HB   LEU  10          3HB       LEU  10 -11.213  13.680  -6.979
   63    HG   LEU  10           HG       LEU  10  -9.715  14.497  -5.135
   64   1HD1  LEU  10          1HD1      LEU  10  -7.720  14.221  -7.345
   65   2HD1  LEU  10          2HD1      LEU  10  -7.523  15.468  -6.115
   66   3HD1  LEU  10          3HD1      LEU  10  -7.571  13.769  -5.647
   67   1HD2  LEU  10          1HD2      LEU  10 -10.628  15.783  -7.533
   68   2HD2  LEU  10          2HD2      LEU  10 -10.581  16.399  -5.882
   69   3HD2  LEU  10          3HD2      LEU  10  -9.170  16.572  -6.925
   70    H    GLY  11           H        GLY  11 -12.167  12.122  -4.938
   71   1HA   GLY  11          1HA       GLY  11 -11.252  13.118  -2.460
   72   2HA   GLY  11          2HA       GLY  11 -12.788  12.308  -2.734
   73    HA   PRO  12           HA       PRO  12  -9.173   9.627  -0.685
   74   1HB   PRO  12          2HB       PRO  12 -10.031  10.916   1.858
   75   2HB   PRO  12          3HB       PRO  12  -8.416  10.426   1.333
   76   1HG   PRO  12          2HG       PRO  12  -9.106  12.992   1.349
   77   2HG   PRO  12          3HG       PRO  12  -8.123  12.328   0.029
   78   1HD   PRO  12          2HD       PRO  12 -11.037  12.997   0.073
   79   2HD   PRO  12          3HD       PRO  12  -9.845  13.236  -1.221
   80    H    LEU  13           H        LEU  13  -9.750   7.663   0.015
   81    HA   LEU  13           HA       LEU  13 -12.540   7.088   0.318
   82   1HB   LEU  13          2HB       LEU  13 -11.282   5.556  -0.963
   83   2HB   LEU  13          3HB       LEU  13 -10.061   5.392   0.283
   84    HG   LEU  13           HG       LEU  13 -11.793   4.267   1.719
   85   1HD1  LEU  13          1HD1      LEU  13 -13.525   3.278  -0.221
   86   2HD1  LEU  13          2HD1      LEU  13 -13.915   4.399   1.086
   87   3HD1  LEU  13          3HD1      LEU  13 -13.466   5.019  -0.505
   88   1HD2  LEU  13          1HD2      LEU  13 -11.504   2.139   0.694
   89   2HD2  LEU  13          2HD2      LEU  13 -11.283   2.871  -0.898
   90   3HD2  LEU  13          3HD2      LEU  13 -10.056   3.091   0.350
   91    HA   PRO  14           HA       PRO  14 -11.480   5.620   4.706
   92   1HB   PRO  14          2HB       PRO  14  -8.709   6.127   5.378
   93   2HB   PRO  14          3HB       PRO  14  -9.551   4.581   5.249
   94   1HG   PRO  14          2HG       PRO  14  -7.612   5.375   3.511
   95   2HG   PRO  14          3HG       PRO  14  -8.933   4.281   3.062
   96   1HD   PRO  14          2HD       PRO  14  -8.668   7.228   2.578
   97   2HD   PRO  14          3HD       PRO  14  -9.229   5.950   1.475
   98    H    ASP  15           H        ASP  15  -8.884   7.294   5.941
   99    HA   ASP  15           HA       ASP  15 -10.453   9.715   6.528
  100   1HB   ASP  15          2HB       ASP  15 -10.722   7.945   8.336
  101   2HB   ASP  15          3HB       ASP  15  -9.005   8.133   8.664
  102    H    GLY  16           H        GLY  16  -8.349   9.458   4.739
  103   1HA   GLY  16          1HA       GLY  16  -6.691  11.545   5.135
  104   2HA   GLY  16          2HA       GLY  16  -5.876  10.253   6.009
  105    H    TRP  17           H        TRP  17  -6.273   8.106   4.514
  106    HA   TRP  17           HA       TRP  17  -4.385   8.402   2.460
  107   1HB   TRP  17          2HB       TRP  17  -6.209   6.173   3.277
  108   2HB   TRP  17          3HB       TRP  17  -5.348   6.045   1.751
  109    HD1  TRP  17           HD1      TRP  17  -5.025   4.859   5.087
  110    HE1  TRP  17           HE1      TRP  17  -2.584   4.313   5.691
  111    HE3  TRP  17           HE3      TRP  17  -2.653   7.404   1.320
  112    HZ2  TRP  17           HZ2      TRP  17  -0.013   4.906   4.746
  113    HZ3  TRP  17           HZ3      TRP  17  -0.193   7.354   1.258
  114    HH2  TRP  17           HH2      TRP  17   1.097   6.132   2.932
  115    H    GLU  18           H        GLU  18  -4.507   8.429   0.281
  116    HA   GLU  18           HA       GLU  18  -7.144   8.442  -1.012
  117   1HB   GLU  18          2HB       GLU  18  -6.305  10.766  -0.707
  118   2HB   GLU  18          3HB       GLU  18  -4.858  10.339  -1.609
  119   1HG   GLU  18          2HG       GLU  18  -6.356   9.773  -3.542
  120   2HG   GLU  18          3HG       GLU  18  -7.683  10.486  -2.624
  121    H    LYS  19           H        LYS  19  -6.795   6.325  -1.729
  122    HA   LYS  19           HA       LYS  19  -4.383   5.800  -3.266
  123   1HB   LYS  19          2HB       LYS  19  -5.288   3.436  -3.358
  124   2HB   LYS  19          3HB       LYS  19  -4.830   4.046  -1.777
  125   1HG   LYS  19          2HG       LYS  19  -6.822   3.477  -1.013
  126   2HG   LYS  19          3HG       LYS  19  -7.567   4.633  -2.120
  127   1HD   LYS  19          2HD       LYS  19  -8.451   2.313  -2.336
  128   2HD   LYS  19          3HD       LYS  19  -7.773   2.961  -3.828
  129   1HE   LYS  19          2HE       LYS  19  -7.087   0.660  -3.542
  130   2HE   LYS  19          3HE       LYS  19  -5.691   1.722  -3.402
  131   1HZ   LYS  19          1HZ       LYS  19  -6.852  -0.059  -1.465
  132   2HZ   LYS  19          2HZ       LYS  19  -6.514   1.478  -0.837
  133   3HZ   LYS  19          3HZ       LYS  19  -5.275   0.561  -1.555
  134    H    LYS  20           H        LYS  20  -4.247   5.726  -5.385
  135    HA   LYS  20           HA       LYS  20  -6.715   5.592  -6.972
  136   1HB   LYS  20          2HB       LYS  20  -6.044   7.933  -6.889
  137   2HB   LYS  20          3HB       LYS  20  -4.424   7.510  -7.423
  138   1HG   LYS  20          2HG       LYS  20  -5.186   6.941  -9.589
  139   2HG   LYS  20          3HG       LYS  20  -6.876   6.984  -9.081
  140   1HD   LYS  20          2HD       LYS  20  -6.774   9.364  -8.756
  141   2HD   LYS  20          3HD       LYS  20  -5.036   9.372  -9.057
  142   1HE   LYS  20          2HE       LYS  20  -7.024   8.434 -11.105
  143   2HE   LYS  20          3HE       LYS  20  -6.543  10.123 -10.962
  144   1HZ   LYS  20          1HZ       LYS  20  -5.066   9.375 -12.506
  145   2HZ   LYS  20          2HZ       LYS  20  -4.971   7.812 -11.860
  146   3HZ   LYS  20          3HZ       LYS  20  -4.164   9.097 -11.096
  147    H    ILE  21           H        ILE  21  -6.631   3.916  -8.313
  148    HA   ILE  21           HA       ILE  21  -4.260   2.414  -8.689
  149    HB   ILE  21           HB       ILE  21  -6.414   1.319  -8.626
  150   1HG1  ILE  21          2HG1      ILE  21  -5.171   1.058 -11.375
  151   2HG1  ILE  21          3HG1      ILE  21  -4.613   0.241  -9.919
  152   1HG2  ILE  21          1HG2      ILE  21  -7.574   1.747 -11.122
  153   2HG2  ILE  21          2HG2      ILE  21  -8.170   2.301  -9.559
  154   3HG2  ILE  21          3HG2      ILE  21  -7.141   3.351 -10.532
  155   1HD1  ILE  21          1HD1      ILE  21  -7.397  -0.282 -10.326
  156   2HD1  ILE  21          2HD1      ILE  21  -6.483  -0.665 -11.784
  157   3HD1  ILE  21          3HD1      ILE  21  -6.044  -1.409 -10.248
  158    H    GLN  22           H        GLN  22  -2.898   2.211 -10.392
  159    HA   GLN  22           HA       GLN  22  -3.188   4.102 -12.631
  160   1HB   GLN  22          2HB       GLN  22  -1.014   3.903 -11.101
  161   2HB   GLN  22          3HB       GLN  22  -0.676   2.546 -12.164
  162   1HG   GLN  22          2HG       GLN  22   0.431   4.487 -13.010
  163   2HG   GLN  22          3HG       GLN  22  -0.889   4.066 -14.103
  164   1HE2  GLN  22          1HE2      GLN  22  -1.931   5.767 -14.826
  165   2HE2  GLN  22          2HE2      GLN  22  -2.221   7.240 -13.950
  166    H    SER  23           H        SER  23  -3.044   3.207 -14.758
  167    HA   SER  23           HA       SER  23  -4.442   0.833 -15.061
  168   1HB   SER  23          2HB       SER  23  -2.770   2.236 -17.151
  169   2HB   SER  23          3HB       SER  23  -4.096   1.111 -17.456
  170    HG   SER  23           HG       SER  23  -5.148   2.857 -15.877
  171    H    ASP  24           H        ASP  24  -1.220   1.014 -14.290
  172    HA   ASP  24           HA       ASP  24  -0.333  -1.392 -15.663
  173   1HB   ASP  24          2HB       ASP  24   1.219   0.484 -14.887
  174   2HB   ASP  24          3HB       ASP  24   0.928  -0.075 -13.246
  175    H    ASN  25           H        ASN  25  -1.990  -0.378 -12.921
  176    HA   ASN  25           HA       ASN  25  -3.393  -1.563 -11.499
  177   1HB   ASN  25          2HB       ASN  25  -1.670  -3.959 -12.157
  178   2HB   ASN  25          3HB       ASN  25  -2.902  -3.961 -10.901
  179   1HD2  ASN  25          1HD2      ASN  25  -2.412  -5.153 -13.746
  180   2HD2  ASN  25          2HD2      ASN  25  -3.980  -4.997 -14.484
  181    H    ARG  26           H        ARG  26  -1.034   0.013 -11.213
  182    HA   ARG  26           HA       ARG  26  -0.025  -0.919  -8.601
  183   1HB   ARG  26          2HB       ARG  26   1.008   1.113 -10.571
  184   2HB   ARG  26          3HB       ARG  26   1.499   1.158  -8.887
  185   1HG   ARG  26          2HG       ARG  26   2.489  -1.037  -9.076
  186   2HG   ARG  26          3HG       ARG  26   1.900  -1.186 -10.736
  187   1HD   ARG  26          2HD       ARG  26   3.265   0.701 -11.421
  188   2HD   ARG  26          3HD       ARG  26   3.804   0.945  -9.760
  189    HE   ARG  26           HE       ARG  26   4.708  -1.088 -11.632
  190   1HH1  ARG  26          2HH1      ARG  26   4.672  -0.004  -8.303
  191   2HH1  ARG  26          1HH1      ARG  26   6.112  -0.870  -7.867
  192   1HH2  ARG  26          2HH2      ARG  26   6.607  -2.202 -11.086
  193   2HH2  ARG  26          1HH2      ARG  26   7.241  -2.100  -9.469
  194    H    VAL  27           H        VAL  27  -1.253  -0.157  -6.941
  195    HA   VAL  27           HA       VAL  27  -2.915   2.150  -7.319
  196    HB   VAL  27           HB       VAL  27  -2.364   0.554  -4.815
  197   1HG1  VAL  27          1HG1      VAL  27  -3.839   2.984  -5.286
  198   2HG1  VAL  27          2HG1      VAL  27  -4.895   1.705  -4.688
  199   3HG1  VAL  27          3HG1      VAL  27  -3.465   2.170  -3.767
  200   1HG2  VAL  27          1HG2      VAL  27  -4.369   0.269  -7.023
  201   2HG2  VAL  27          2HG2      VAL  27  -3.362  -0.966  -6.264
  202   3HG2  VAL  27          3HG2      VAL  27  -4.740  -0.294  -5.392
  203    H    TYR  28           H        TYR  28  -2.275   4.227  -7.020
  204    HA   TYR  28           HA       TYR  28   0.170   4.707  -5.504
  205   1HB   TYR  28          2HB       TYR  28  -1.687   6.528  -7.049
  206   2HB   TYR  28          3HB       TYR  28  -0.392   7.149  -6.033
  207    HD1  TYR  28           HD1      TYR  28   1.395   7.894  -7.271
  208    HD2  TYR  28           HD2      TYR  28  -0.649   4.394  -8.572
  209    HE1  TYR  28           HE1      TYR  28   2.982   7.665  -9.133
  210    HE2  TYR  28           HE2      TYR  28   0.934   4.159 -10.439
  211    HH   TYR  28           HH       TYR  28   3.116   6.646 -11.326
  212    H    PHE  29           H        PHE  29   0.174   5.980  -3.614
  213    HA   PHE  29           HA       PHE  29  -2.425   6.371  -2.380
  214   1HB   PHE  29          2HB       PHE  29  -1.321   5.777  -0.153
  215   2HB   PHE  29          3HB       PHE  29  -1.841   4.484  -1.210
  216    HD1  PHE  29           HD1      PHE  29   0.352   4.174  -3.037
  217    HD2  PHE  29           HD2      PHE  29   0.439   5.003   1.122
  218    HE1  PHE  29           HE1      PHE  29   2.624   3.262  -2.913
  219    HE2  PHE  29           HE2      PHE  29   2.690   4.040   1.268
  220    HZ   PHE  29           HZ       PHE  29   3.628   2.866  -0.532
  221    H    VAL  30           H        VAL  30  -2.701   8.128  -1.197
  222    HA   VAL  30           HA       VAL  30  -0.405   9.912  -0.844
  223    HB   VAL  30           HB       VAL  30  -3.140  10.872  -1.710
  224   1HG1  VAL  30          1HG1      VAL  30  -1.558  12.911  -2.268
  225   2HG1  VAL  30          2HG1      VAL  30  -2.228  12.674  -0.653
  226   3HG1  VAL  30          3HG1      VAL  30  -0.571  12.184  -1.001
  227   1HG2  VAL  30          1HG2      VAL  30  -0.822  11.136  -3.535
  228   2HG2  VAL  30          2HG2      VAL  30  -1.552   9.538  -3.392
  229   3HG2  VAL  30          3HG2      VAL  30  -2.532  10.913  -3.898
  230    H    ASN  31           H        ASN  31  -0.215  10.415   1.212
  231    HA   ASN  31           HA       ASN  31  -2.565  10.229   2.973
  232   1HB   ASN  31          2HB       ASN  31  -0.401   9.061   3.630
  233   2HB   ASN  31          3HB       ASN  31   0.325  10.658   3.779
  234   1HD2  ASN  31          1HD2      ASN  31  -0.706   8.295   5.598
  235   2HD2  ASN  31          2HD2      ASN  31  -1.384   9.163   6.936
  236    H    HIS  32           H        HIS  32  -3.436  12.123   3.807
  237    HA   HIS  32           HA       HIS  32  -2.170  14.578   2.805
  238   1HB   HIS  32          2HB       HIS  32  -5.045  13.989   3.517
  239   2HB   HIS  32          3HB       HIS  32  -4.447  15.604   3.147
  240    HD1  HIS  32           HD1      HIS  32  -3.035  15.547   0.660
  241    HD2  HIS  32           HD2      HIS  32  -6.097  12.816   1.338
  242    HE1  HIS  32           HE1      HIS  32  -3.752  14.758  -1.609
  243    HE2  HIS  32           HE2      HIS  32  -5.704  13.223  -1.192
  244    H    LYS  33           H        LYS  33  -2.976  12.869   5.630
  245    HA   LYS  33           HA       LYS  33  -2.962  15.088   7.469
  246   1HB   LYS  33          2HB       LYS  33  -2.568  12.121   7.920
  247   2HB   LYS  33          3HB       LYS  33  -2.732  13.320   9.195
  248   1HG   LYS  33          2HG       LYS  33  -4.987  13.774   8.583
  249   2HG   LYS  33          3HG       LYS  33  -4.840  12.806   7.116
  250   1HD   LYS  33          2HD       LYS  33  -6.054  11.615   8.890
  251   2HD   LYS  33          3HD       LYS  33  -4.562  10.791   8.437
  252   1HE   LYS  33          2HE       LYS  33  -4.881  10.812  10.863
  253   2HE   LYS  33          3HE       LYS  33  -3.440  11.710  10.391
  254   1HZ   LYS  33          1HZ       LYS  33  -5.188  12.670  12.095
  255   2HZ   LYS  33          2HZ       LYS  33  -5.934  13.210  10.669
  256   3HZ   LYS  33          3HZ       LYS  33  -4.341  13.677  11.023
  257    H    ASN  34           H        ASN  34  -0.726  12.679   6.278
  258    HA   ASN  34           HA       ASN  34   1.484  13.919   7.753
  259   1HB   ASN  34          2HB       ASN  34   1.112  11.510   8.073
  260   2HB   ASN  34          3HB       ASN  34   1.261  11.247   6.342
  261   1HD2  ASN  34          1HD2      ASN  34   3.146  10.588   5.656
  262   2HD2  ASN  34          2HD2      ASN  34   4.656  10.763   6.482
  263    H    ARG  35           H        ARG  35   0.118  13.766   4.694
  264    HA   ARG  35           HA       ARG  35   0.674  14.516   2.637
  265   1HB   ARG  35          2HB       ARG  35   1.349  16.509   4.012
  266   2HB   ARG  35          3HB       ARG  35   2.994  15.894   3.989
  267   1HG   ARG  35          2HG       ARG  35   3.214  16.246   1.681
  268   2HG   ARG  35          3HG       ARG  35   1.473  16.445   1.464
  269   1HD   ARG  35          2HD       ARG  35   3.321  18.320   2.938
  270   2HD   ARG  35          3HD       ARG  35   2.598  18.599   1.355
  271    HE   ARG  35           HE       ARG  35   1.385  19.053   3.886
  272   1HH1  ARG  35          2HH1      ARG  35   0.674  18.148   0.567
  273   2HH1  ARG  35          1HH1      ARG  35  -1.024  18.505   0.701
  274   1HH2  ARG  35          2HH2      ARG  35  -0.837  19.524   4.058
  275   2HH2  ARG  35          1HH2      ARG  35  -1.882  19.267   2.693
  276    H    THR  36           H        THR  36   1.159  12.605   1.716
  277    HA   THR  36           HA       THR  36   3.930  12.110   1.016
  278    HB   THR  36           HB       THR  36   2.368   9.857   2.297
  279    HG1  THR  36           HG1      THR  36   3.902  11.861   3.468
  280   1HG2  THR  36          1HG2      THR  36   4.172   8.553   1.921
  281   2HG2  THR  36          2HG2      THR  36   5.313   9.862   2.228
  282   3HG2  THR  36          3HG2      THR  36   4.515   9.739   0.662
  283    H    THR  37           H        THR  37   4.069  11.008  -0.963
  284    HA   THR  37           HA       THR  37   1.571   9.919  -2.047
  285    HB   THR  37           HB       THR  37   3.572  11.436  -3.741
  286    HG1  THR  37           HG1      THR  37   2.430  12.872  -2.357
  287   1HG2  THR  37          1HG2      THR  37   1.761   9.545  -4.506
  288   2HG2  THR  37          2HG2      THR  37   2.355  10.846  -5.541
  289   3HG2  THR  37          3HG2      THR  37   0.822  11.029  -4.683
  290    H    GLN  38           H        GLN  38   1.880   7.970  -3.180
  291    HA   GLN  38           HA       GLN  38   4.557   7.043  -3.845
  292   1HB   GLN  38          2HB       GLN  38   3.338   6.523  -1.270
  293   2HB   GLN  38          3HB       GLN  38   3.662   5.024  -2.129
  294   1HG   GLN  38          2HG       GLN  38   5.980   5.513  -2.278
  295   2HG   GLN  38          3HG       GLN  38   5.734   7.163  -1.718
  296   1HE2  GLN  38          1HE2      GLN  38   6.479   4.014  -0.829
  297   2HE2  GLN  38          2HE2      GLN  38   6.366   4.206   0.887
  298    H    TRP  39           H        TRP  39   4.568   5.177  -5.139
  299    HA   TRP  39           HA       TRP  39   1.919   4.140  -5.895
  300   1HB   TRP  39          2HB       TRP  39   3.061   3.014  -7.785
  301   2HB   TRP  39          3HB       TRP  39   3.246   4.758  -7.829
  302    HD1  TRP  39           HD1      TRP  39   5.319   1.643  -6.795
  303    HE1  TRP  39           HE1      TRP  39   7.800   2.148  -7.255
  304    HE3  TRP  39           HE3      TRP  39   4.872   6.497  -8.331
  305    HZ2  TRP  39           HZ2      TRP  39   9.352   4.320  -8.160
  306    HZ3  TRP  39           HZ3      TRP  39   6.907   7.717  -8.978
  307    HH2  TRP  39           HH2      TRP  39   9.102   6.650  -8.895
  308    H    GLU  40           H        GLU  40   1.308   2.037  -5.373
  309    HA   GLU  40           HA       GLU  40   2.569  -0.216  -4.904
  310   1HB   GLU  40          2HB       GLU  40   4.083   1.110  -3.318
  311   2HB   GLU  40          3HB       GLU  40   2.714   1.173  -2.224
  312   1HG   GLU  40          2HG       GLU  40   2.772  -1.128  -1.832
  313   2HG   GLU  40          3HG       GLU  40   3.785  -1.431  -3.245
  314    H    ASP  41           H        ASP  41   1.332   0.704  -1.908
  315    HA   ASP  41           HA       ASP  41  -1.216   1.161  -1.855
  316   1HB   ASP  41          2HB       ASP  41  -1.762  -0.709  -3.360
  317   2HB   ASP  41          3HB       ASP  41  -1.032  -1.838  -2.223
  318    HA   PRO  42           HA       PRO  42   0.227   0.217   2.291
  319   1HB   PRO  42          2HB       PRO  42  -1.143   2.132   3.589
  320   2HB   PRO  42          3HB       PRO  42   0.268   2.513   2.598
  321   1HG   PRO  42          2HG       PRO  42  -2.608   2.940   2.033
  322   2HG   PRO  42          3HG       PRO  42  -1.202   3.866   1.484
  323   1HD   PRO  42          2HD       PRO  42  -2.629   1.901   0.041
  324   2HD   PRO  42          3HD       PRO  42  -1.108   2.673  -0.441
  325    H    ARG  43           H        ARG  43  -2.460  -0.585   0.812
  326    HA   ARG  43           HA       ARG  43  -4.201  -1.965   1.227
  327   1HB   ARG  43          2HB       ARG  43  -2.771  -2.316   3.841
  328   2HB   ARG  43          3HB       ARG  43  -4.260  -3.167   3.464
  329   1HG   ARG  43          2HG       ARG  43  -1.661  -3.322   1.968
  330   2HG   ARG  43          3HG       ARG  43  -2.331  -4.545   3.049
  331   1HD   ARG  43          2HD       ARG  43  -4.318  -4.651   1.519
  332   2HD   ARG  43          3HD       ARG  43  -3.411  -3.635   0.394
  333    HE   ARG  43           HE       ARG  43  -1.820  -5.815   1.156
  334   1HH1  ARG  43          2HH1      ARG  43  -4.631  -5.037  -0.796
  335   2HH1  ARG  43          1HH1      ARG  43  -4.503  -6.460  -1.790
  336   1HH2  ARG  43          2HH2      ARG  43  -1.651  -7.700  -0.166
  337   2HH2  ARG  43          1HH2      ARG  43  -2.786  -7.949  -1.462
  338    H    THR  44           H        THR  44  -3.710  -0.236   4.277
  339    HA   THR  44           HA       THR  44  -5.110   1.055   5.539
  340    HB   THR  44           HB       THR  44  -7.138   1.115   3.301
  341    HG1  THR  44           HG1      THR  44  -4.719   2.587   3.586
  342   1HG2  THR  44          1HG2      THR  44  -7.693   2.021   5.578
  343   2HG2  THR  44          2HG2      THR  44  -7.792   3.205   4.274
  344   3HG2  THR  44          3HG2      THR  44  -6.398   3.199   5.355
  345    H    GLN  45           H        GLN  45  -4.981  -1.576   5.821
  346    HA   GLN  45           HA       GLN  45  -7.690  -2.671   5.974
  347   1HB   GLN  45          2HB       GLN  45  -6.683  -4.783   6.528
  348   2HB   GLN  45          3HB       GLN  45  -5.840  -4.111   5.142
  349   1HG   GLN  45          2HG       GLN  45  -4.083  -3.292   6.737
  350   2HG   GLN  45          3HG       GLN  45  -4.889  -4.236   7.989
  351   1HE2  GLN  45          1HE2      GLN  45  -4.186  -6.239   8.271
  352   2HE2  GLN  45          2HE2      GLN  45  -3.310  -7.178   7.101
  353    H    GLY  46           H        GLY  46  -6.271  -0.489   7.696
  354   1HA   GLY  46          1HA       GLY  46  -6.817   0.322   9.767
  355   2HA   GLY  46          2HA       GLY  46  -7.692  -1.165  10.087
  356    H    GLN  47           H        GLN  47  -5.121   0.687  10.998
  357    HA   GLN  47           HA       GLN  47  -3.634   0.465  12.666
  358   1HB   GLN  47          2HB       GLN  47  -4.770  -2.311  12.971
  359   2HB   GLN  47          3HB       GLN  47  -3.640  -1.561  14.090
  360   1HG   GLN  47          2HG       GLN  47  -5.254   0.192  14.571
  361   2HG   GLN  47          3HG       GLN  47  -6.385  -0.521  13.424
  362   1HE2  GLN  47          1HE2      GLN  47  -4.870  -3.058  14.780
  363   2HE2  GLN  47          2HE2      GLN  47  -5.948  -3.386  16.093
  364    H    GLU  48           H        GLU  48  -3.631  -2.499  10.692
  365    HA   GLU  48           HA       GLU  48  -0.888  -3.056  11.154
  366   1HB   GLU  48          2HB       GLU  48  -2.818  -4.059   9.059
  367   2HB   GLU  48          3HB       GLU  48  -1.190  -4.692   9.270
  368   1HG   GLU  48          2HG       GLU  48  -3.413  -4.751  11.294
  369   2HG   GLU  48          3HG       GLU  48  -2.782  -6.118  10.374
  370    H    VAL  49           H        VAL  49  -0.498  -3.737   8.200
  371    HA   VAL  49           HA       VAL  49   1.312  -1.895   7.451
  372    HB   VAL  49           HB       VAL  49   0.969  -2.597   5.081
  373   1HG1  VAL  49          1HG1      VAL  49   2.470  -3.997   6.046
  374   2HG1  VAL  49          2HG1      VAL  49   1.384  -4.440   7.360
  375   3HG1  VAL  49          3HG1      VAL  49   1.178  -5.163   5.765
  376   1HG2  VAL  49          1HG2      VAL  49  -0.663  -4.317   4.577
  377   2HG2  VAL  49          2HG2      VAL  49  -1.266  -4.261   6.233
  378   3HG2  VAL  49          3HG2      VAL  49  -1.469  -2.867   5.172
  379    H    SER  50           H        SER  50  -2.018  -1.395   7.448
  380    HA   SER  50           HA       SER  50  -2.541   0.553   5.561
  381   1HB   SER  50          2HB       SER  50  -3.584   0.974   8.292
  382   2HB   SER  50          3HB       SER  50  -4.454   0.796   6.763
  383    HG   SER  50           HG       SER  50  -4.134  -1.021   8.628
  384    H    LEU  51           H        LEU  51  -0.853   0.770   8.649
  385    HA   LEU  51           HA       LEU  51  -0.116   3.547   8.011
  386   1HB   LEU  51          2HB       LEU  51  -0.673   2.449  10.774
  387   2HB   LEU  51          3HB       LEU  51  -0.243   4.101  10.377
  388    HG   LEU  51           HG       LEU  51  -2.787   2.772   9.434
  389   1HD1  LEU  51          1HD1      LEU  51  -2.457   3.086  11.976
  390   2HD1  LEU  51          2HD1      LEU  51  -2.637   4.806  11.626
  391   3HD1  LEU  51          3HD1      LEU  51  -3.939   3.683  11.228
  392   1HD2  LEU  51          1HD2      LEU  51  -1.779   5.611   9.398
  393   2HD2  LEU  51          2HD2      LEU  51  -2.208   4.596   8.022
  394   3HD2  LEU  51          3HD2      LEU  51  -3.463   5.173   9.118
  395    H    ILE  52           H        ILE  52   1.071   0.903   7.568
  396    HA   ILE  52           HA       ILE  52   3.329   0.688   9.365
  397    HB   ILE  52           HB       ILE  52   2.174  -0.892   7.171
  398   1HG1  ILE  52          2HG1      ILE  52   1.757  -1.802   9.243
  399   2HG1  ILE  52          3HG1      ILE  52   3.213  -2.684   8.787
  400   1HG2  ILE  52          1HG2      ILE  52   4.090  -1.012   6.006
  401   2HG2  ILE  52          2HG2      ILE  52   5.083  -0.519   7.376
  402   3HG2  ILE  52          3HG2      ILE  52   4.513  -2.182   7.256
  403   1HD1  ILE  52          1HD1      ILE  52   3.786  -2.075  10.900
  404   2HD1  ILE  52          2HD1      ILE  52   4.407  -0.678  10.019
  405   3HD1  ILE  52          3HD1      ILE  52   2.853  -0.580  10.846
  406    H    ASN  53           H        ASN  53   2.645   1.764   6.092
  407    HA   ASN  53           HA       ASN  53   4.920   1.869   4.776
  408   1HB   ASN  53          2HB       ASN  53   2.852   2.715   3.844
  409   2HB   ASN  53          3HB       ASN  53   2.952   4.152   4.857
  410   1HD2  ASN  53          1HD2      ASN  53   3.464   5.846   3.672
  411   2HD2  ASN  53          2HD2      ASN  53   4.617   5.884   2.378
  412    H    GLU  54           H        GLU  54   4.095   4.540   6.976
  413    HA   GLU  54           HA       GLU  54   6.558   5.894   6.522
  414   1HB   GLU  54          2HB       GLU  54   4.375   6.227   8.546
  415   2HB   GLU  54          3HB       GLU  54   5.866   7.150   8.679
  416   1HG   GLU  54          2HG       GLU  54   4.027   7.148   6.298
  417   2HG   GLU  54          3HG       GLU  54   4.088   8.393   7.544
  418    H    GLY  55           H        GLY  55   6.718   3.037   7.547
  419   1HA   GLY  55          1HA       GLY  55   8.833   3.587   9.503
  420   2HA   GLY  55          2HA       GLY  55   7.514   2.528   9.983
  421    HA   PRO  56           HA       PRO  56  11.055   0.223   7.799
  422   1HB   PRO  56          2HB       PRO  56  11.341  -1.191  10.364
  423   2HB   PRO  56          3HB       PRO  56  12.570  -0.395   9.376
  424   1HG   PRO  56          2HG       PRO  56  11.754   0.642  11.714
  425   2HG   PRO  56          3HG       PRO  56  12.194   1.669  10.336
  426   1HD   PRO  56          2HD       PRO  56   9.474   0.877  11.319
  427   2HD   PRO  56          3HD       PRO  56  10.053   2.463  10.766
  428    H    LEU  57           H        LEU  57   8.631  -0.410   7.115
  429    HA   LEU  57           HA       LEU  57   8.576  -3.282   7.135
  430   1HB   LEU  57          2HB       LEU  57   6.558  -1.692   8.657
  431   2HB   LEU  57          3HB       LEU  57   6.036  -3.145   7.829
  432    HG   LEU  57           HG       LEU  57   8.170  -3.020   9.965
  433   1HD1  LEU  57          1HD1      LEU  57   6.619  -3.494  11.512
  434   2HD1  LEU  57          2HD1      LEU  57   5.490  -2.802  10.346
  435   3HD1  LEU  57          3HD1      LEU  57   5.713  -4.551  10.427
  436   1HD2  LEU  57          1HD2      LEU  57   6.977  -5.600   9.289
  437   2HD2  LEU  57          2HD2      LEU  57   7.916  -4.887   7.976
  438   3HD2  LEU  57          3HD2      LEU  57   8.666  -5.162   9.549
  439    HA   PRO  58           HA       PRO  58   6.790  -2.280   3.226
  440   1HB   PRO  58          2HB       PRO  58   6.218  -4.732   2.331
  441   2HB   PRO  58          3HB       PRO  58   7.887  -4.216   2.606
  442   1HG   PRO  58          2HG       PRO  58   6.133  -5.951   4.290
  443   2HG   PRO  58          3HG       PRO  58   7.866  -6.100   3.952
  444   1HD   PRO  58          2HD       PRO  58   6.768  -4.995   6.251
  445   2HD   PRO  58          3HD       PRO  58   8.422  -4.723   5.673
  446    HA   PRO  59           HA       PRO  59   2.348  -2.376   4.038
  447   1HB   PRO  59          2HB       PRO  59   1.726  -0.208   2.596
  448   2HB   PRO  59          3HB       PRO  59   2.515  -0.079   4.171
  449   1HG   PRO  59          2HG       PRO  59   3.650   0.274   1.452
  450   2HG   PRO  59          3HG       PRO  59   4.106   1.057   2.972
  451   1HD   PRO  59          2HD       PRO  59   5.399  -1.131   1.735
  452   2HD   PRO  59          3HD       PRO  59   5.701  -0.499   3.363
  453    H    GLY  60           H        GLY  60   0.782  -3.412   2.937
  454   1HA   GLY  60          1HA       GLY  60  -0.429  -4.318   1.202
  455   2HA   GLY  60          2HA       GLY  60   0.426  -3.225   0.125
  456    H    TRP  61           H        TRP  61   2.162  -5.404   2.149
  457    HA   TRP  61           HA       TRP  61   2.843  -7.036  -0.206
  458   1HB   TRP  61          2HB       TRP  61   4.456  -6.293   2.222
  459   2HB   TRP  61          3HB       TRP  61   4.890  -7.664   1.210
  460    HD1  TRP  61           HD1      TRP  61   3.988  -3.950   0.454
  461    HE1  TRP  61           HE1      TRP  61   5.752  -3.052  -1.216
  462    HE3  TRP  61           HE3      TRP  61   6.771  -8.188  -0.116
  463    HZ2  TRP  61           HZ2      TRP  61   8.004  -4.052  -2.606
  464    HZ3  TRP  61           HZ3      TRP  61   8.693  -8.154  -1.640
  465    HH2  TRP  61           HH2      TRP  61   9.304  -6.124  -2.863
  466    H    GLU  62           H        GLU  62   3.194  -9.325   0.144
  467    HA   GLU  62           HA       GLU  62   1.668 -10.371   2.435
  468   1HB   GLU  62          2HB       GLU  62   1.781 -11.407  -0.411
  469   2HB   GLU  62          3HB       GLU  62   0.836 -12.099   0.899
  470   1HG   GLU  62          2HG       GLU  62   0.448  -9.323  -0.193
  471   2HG   GLU  62          3HG       GLU  62  -0.484 -10.736  -0.688
  472    H    ILE  63           H        ILE  63   2.332 -12.437   3.221
  473    HA   ILE  63           HA       ILE  63   5.117 -13.091   2.586
  474    HB   ILE  63           HB       ILE  63   4.962 -14.736   4.458
  475   1HG1  ILE  63          2HG1      ILE  63   2.329 -13.351   5.042
  476   2HG1  ILE  63          3HG1      ILE  63   2.488 -14.994   4.427
  477   1HG2  ILE  63          1HG2      ILE  63   5.778 -12.319   4.618
  478   2HG2  ILE  63          2HG2      ILE  63   4.249 -11.984   5.433
  479   3HG2  ILE  63          3HG2      ILE  63   5.383 -13.145   6.126
  480   1HD1  ILE  63          1HD1      ILE  63   2.328 -14.230   7.072
  481   2HD1  ILE  63          2HD1      ILE  63   2.830 -15.808   6.465
  482   3HD1  ILE  63          3HD1      ILE  63   4.042 -14.580   6.835
  483    H    ARG  64           H        ARG  64   5.569 -14.657   1.181
  484    HA   ARG  64           HA       ARG  64   3.519 -16.704   0.679
  485   1HB   ARG  64          2HB       ARG  64   3.558 -15.042  -1.169
  486   2HB   ARG  64          3HB       ARG  64   5.267 -15.379  -1.408
  487   1HG   ARG  64          2HG       ARG  64   3.968 -16.551  -3.056
  488   2HG   ARG  64          3HG       ARG  64   4.706 -17.714  -1.951
  489   1HD   ARG  64          2HD       ARG  64   2.591 -17.860  -0.716
  490   2HD   ARG  64          3HD       ARG  64   1.859 -16.723  -1.847
  491    HE   ARG  64           HE       ARG  64   2.917 -18.879  -3.304
  492   1HH1  ARG  64          2HH1      ARG  64   0.341 -18.199  -1.018
  493   2HH1  ARG  64          1HH1      ARG  64  -0.710 -19.437  -1.639
  494   1HH2  ARG  64          2HH2      ARG  64   1.539 -20.527  -4.111
  495   2HH2  ARG  64          1HH2      ARG  64  -0.027 -20.770  -3.380
  496    H    TYR  65           H        TYR  65   4.332 -18.758   0.861
  497    HA   TYR  65           HA       TYR  65   7.137 -19.075   1.457
  498   1HB   TYR  65          2HB       TYR  65   4.837 -21.008   1.201
  499   2HB   TYR  65          3HB       TYR  65   6.491 -21.537   1.480
  500    HD1  TYR  65           HD1      TYR  65   4.275 -18.875   2.931
  501    HD2  TYR  65           HD2      TYR  65   6.875 -22.162   3.648
  502    HE1  TYR  65           HE1      TYR  65   3.974 -18.577   5.355
  503    HE2  TYR  65           HE2      TYR  65   6.581 -21.876   6.069
  504    HH   TYR  65           HH       TYR  65   4.308 -19.510   7.387
  505    H    THR  66           H        THR  66   8.610 -19.050  -0.167
  506    HA   THR  66           HA       THR  66   8.051 -19.486  -2.860
  507    HB   THR  66           HB       THR  66  10.152 -18.437  -1.899
  508    HG1  THR  66           HG1      THR  66  11.505 -19.400  -3.587
  509   1HG2  THR  66          1HG2      THR  66  10.924 -19.928  -0.277
  510   2HG2  THR  66          2HG2      THR  66  12.038 -20.173  -1.622
  511   3HG2  THR  66          3HG2      THR  66  10.733 -21.326  -1.337
  512    H    ALA  67           H        ALA  67   8.981 -21.362  -4.180
  513    HA   ALA  67           HA       ALA  67   7.644 -23.701  -3.306
  514   1HB   ALA  67          1HB       ALA  67   8.488 -24.711  -5.420
  515   2HB   ALA  67          2HB       ALA  67   7.663 -23.166  -5.637
  516   3HB   ALA  67          3HB       ALA  67   9.425 -23.241  -5.688
  517    H    ALA  68           H        ALA  68   9.755 -23.001  -1.613
  518    HA   ALA  68           HA       ALA  68  11.028 -25.630  -1.472
  519   1HB   ALA  68          1HB       ALA  68  12.689 -24.578   0.120
  520   2HB   ALA  68          2HB       ALA  68  12.878 -24.137  -1.577
  521   3HB   ALA  68          3HB       ALA  68  12.118 -23.011  -0.453
  522    H    GLY  69           H        GLY  69   9.292 -23.004  -0.060
  523   1HA   GLY  69          1HA       GLY  69   7.495 -23.443   1.573
  524   2HA   GLY  69          2HA       GLY  69   8.609 -24.583   2.326
  525    H    GLU  70           H        GLU  70   9.721 -21.603   0.936
  526    HA   GLU  70           HA       GLU  70  10.504 -20.707   3.634
  527   1HB   GLU  70          2HB       GLU  70  11.835 -20.078   1.000
  528   2HB   GLU  70          3HB       GLU  70  12.387 -19.568   2.588
  529   1HG   GLU  70          2HG       GLU  70  12.788 -21.873   3.218
  530   2HG   GLU  70          3HG       GLU  70  12.166 -22.422   1.663
  531    H    ARG  71           H        ARG  71   8.799 -19.372   4.139
  532    HA   ARG  71           HA       ARG  71   7.435 -17.744   2.521
  533   1HB   ARG  71          2HB       ARG  71   6.688 -16.420   4.410
  534   2HB   ARG  71          3HB       ARG  71   6.790 -18.115   4.853
  535   1HG   ARG  71          2HG       ARG  71   9.205 -16.594   5.464
  536   2HG   ARG  71          3HG       ARG  71   7.764 -16.027   6.308
  537   1HD   ARG  71          2HD       ARG  71   8.586 -17.628   7.758
  538   2HD   ARG  71          3HD       ARG  71   7.392 -18.536   6.834
  539    HE   ARG  71           HE       ARG  71  10.011 -18.708   5.695
  540   1HH1  ARG  71          2HH1      ARG  71   7.901 -20.008   8.168
  541   2HH1  ARG  71          1HH1      ARG  71   8.786 -21.493   8.327
  542   1HH2  ARG  71          2HH2      ARG  71  11.206 -20.631   5.927
  543   2HH2  ARG  71          1HH2      ARG  71  10.687 -21.843   7.067
  544    H    PHE  72           H        PHE  72   7.684 -16.032   1.367
  545    HA   PHE  72           HA       PHE  72  10.037 -14.289   1.689
  546   1HB   PHE  72          2HB       PHE  72   8.467 -15.246  -0.686
  547   2HB   PHE  72          3HB       PHE  72   9.318 -13.710  -0.780
  548    HD1  PHE  72           HD1      PHE  72  10.901 -14.293  -2.460
  549    HD2  PHE  72           HD2      PHE  72  10.513 -16.682   1.037
  550    HE1  PHE  72           HE1      PHE  72  12.975 -15.481  -3.045
  551    HE2  PHE  72           HE2      PHE  72  12.578 -17.881   0.455
  552    HZ   PHE  72           HZ       PHE  72  13.789 -17.277  -1.681
  553    H    PHE  73           H        PHE  73   9.491 -12.080   0.449
  554    HA   PHE  73           HA       PHE  73   6.932 -11.079   1.516
  555   1HB   PHE  73          2HB       PHE  73   9.410  -9.562   0.644
  556   2HB   PHE  73          3HB       PHE  73   7.901  -8.808   1.154
  557    HD1  PHE  73           HD1      PHE  73   7.409  -8.498   3.438
  558    HD2  PHE  73           HD2      PHE  73  10.726 -10.905   2.287
  559    HE1  PHE  73           HE1      PHE  73   8.206  -8.511   5.767
  560    HE2  PHE  73           HE2      PHE  73  11.520 -10.931   4.616
  561    HZ   PHE  73           HZ       PHE  73  10.263  -9.731   6.358
  562    H    VAL  74           H        VAL  74   5.495 -10.084   0.036
  563    HA   VAL  74           HA       VAL  74   6.214 -10.308  -2.802
  564    HB   VAL  74           HB       VAL  74   3.737 -11.492  -1.536
  565   1HG1  VAL  74          1HG1      VAL  74   2.860 -11.950  -3.643
  566   2HG1  VAL  74          2HG1      VAL  74   3.477 -10.303  -3.812
  567   3HG1  VAL  74          3HG1      VAL  74   4.401 -11.664  -4.456
  568   1HG2  VAL  74          1HG2      VAL  74   5.646 -13.002  -3.256
  569   2HG2  VAL  74          2HG2      VAL  74   6.061 -12.694  -1.571
  570   3HG2  VAL  74          3HG2      VAL  74   4.590 -13.581  -1.967
  571    H    ASP  75           H        ASP  75   5.884  -8.409  -3.715
  572    HA   ASP  75           HA       ASP  75   3.868  -6.559  -2.723
  573   1HB   ASP  75          2HB       ASP  75   6.084  -5.749  -3.551
  574   2HB   ASP  75          3HB       ASP  75   5.668  -6.341  -5.156
  575    H    HIS  76           H        HIS  76   1.837  -6.522  -3.480
  576    HA   HIS  76           HA       HIS  76   1.183  -8.488  -5.401
  577   1HB   HIS  76          2HB       HIS  76  -1.064  -8.282  -4.624
  578   2HB   HIS  76          3HB       HIS  76  -0.016  -8.131  -3.221
  579    HD1  HIS  76           HD1      HIS  76   0.399  -5.517  -2.430
  580    HD2  HIS  76           HD2      HIS  76  -2.885  -6.293  -4.871
  581    HE1  HIS  76           HE1      HIS  76  -1.076  -3.490  -2.252
  582    HE2  HIS  76           HE2      HIS  76  -3.105  -4.015  -3.661
  583    H    ASN  77           H        ASN  77   1.284  -5.001  -5.583
  584    HA   ASN  77           HA       ASN  77  -0.748  -4.792  -7.591
  585   1HB   ASN  77          2HB       ASN  77   0.211  -2.465  -7.897
  586   2HB   ASN  77          3HB       ASN  77  -0.359  -2.850  -6.275
  587   1HD2  ASN  77          1HD2      ASN  77   1.007  -2.740  -4.628
  588   2HD2  ASN  77          2HD2      ASN  77   2.715  -2.521  -4.751
  589    H    THR  78           H        THR  78   2.763  -5.049  -7.636
  590    HA   THR  78           HA       THR  78   2.667  -5.130 -10.569
  591    HB   THR  78           HB       THR  78   4.168  -3.438  -9.608
  592    HG1  THR  78           HG1      THR  78   6.212  -4.842 -10.511
  593   1HG2  THR  78          1HG2      THR  78   6.209  -4.155  -8.402
  594   2HG2  THR  78          2HG2      THR  78   5.562  -5.795  -8.337
  595   3HG2  THR  78          3HG2      THR  78   4.727  -4.485  -7.499
  596    H    ARG  79           H        ARG  79   2.754  -7.110  -7.922
  597    HA   ARG  79           HA       ARG  79   3.194  -9.298  -7.536
  598   1HB   ARG  79          2HB       ARG  79   3.334  -9.383 -10.551
  599   2HB   ARG  79          3HB       ARG  79   3.415 -10.810  -9.531
  600   1HG   ARG  79          2HG       ARG  79   1.106  -8.883  -9.616
  601   2HG   ARG  79          3HG       ARG  79   1.182 -10.424 -10.473
  602   1HD   ARG  79          2HD       ARG  79   1.468 -11.573  -8.299
  603   2HD   ARG  79          3HD       ARG  79   1.270 -10.021  -7.486
  604    HE   ARG  79           HE       ARG  79  -0.979 -10.265  -7.713
  605   1HH1  ARG  79          2HH1      ARG  79   0.579 -12.286 -10.136
  606   2HH1  ARG  79          1HH1      ARG  79  -0.922 -12.848 -10.805
  607   1HH2  ARG  79          2HH2      ARG  79  -2.949 -11.033  -8.592
  608   2HH2  ARG  79          1HH2      ARG  79  -2.912 -12.149  -9.928
  609    H    ARG  80           H        ARG  80   5.073  -9.113  -6.430
  610    HA   ARG  80           HA       ARG  80   7.486  -9.920  -7.804
  611   1HB   ARG  80          2HB       ARG  80   7.579  -7.519  -8.185
  612   2HB   ARG  80          3HB       ARG  80   7.299  -7.207  -6.479
  613   1HG   ARG  80          2HG       ARG  80   9.609  -6.850  -6.954
  614   2HG   ARG  80          3HG       ARG  80   9.458  -8.307  -5.970
  615   1HD   ARG  80          2HD       ARG  80   9.667  -9.685  -7.984
  616   2HD   ARG  80          3HD       ARG  80   9.823  -8.229  -8.965
  617    HE   ARG  80           HE       ARG  80  11.776  -8.142  -6.962
  618   1HH1  ARG  80          2HH1      ARG  80  11.001  -9.982  -9.850
  619   2HH1  ARG  80          1HH1      ARG  80  12.656 -10.441 -10.149
  620   1HH2  ARG  80          2HH2      ARG  80  13.940  -8.734  -7.362
  621   2HH2  ARG  80          1HH2      ARG  80  14.327  -9.733  -8.730
  622    H    THR  81           H        THR  81   8.215 -11.473  -6.521
  623    HA   THR  81           HA       THR  81   7.840 -11.253  -3.631
  624    HB   THR  81           HB       THR  81   7.152 -13.366  -4.641
  625    HG1  THR  81           HG1      THR  81   7.967 -14.497  -3.015
  626   1HG2  THR  81          1HG2      THR  81   8.359 -13.846  -6.514
  627   2HG2  THR  81          2HG2      THR  81   9.247 -14.842  -5.360
  628   3HG2  THR  81          3HG2      THR  81   9.875 -13.260  -5.825
  629    H    THR  82           H        THR  82   9.532 -11.264  -2.178
  630    HA   THR  82           HA       THR  82  12.298 -11.284  -3.132
  631    HB   THR  82           HB       THR  82  11.038  -8.949  -1.666
  632    HG1  THR  82           HG1      THR  82  11.157  -9.543  -4.287
  633   1HG2  THR  82          1HG2      THR  82  13.558  -9.627  -1.346
  634   2HG2  THR  82          2HG2      THR  82  13.108  -7.939  -1.588
  635   3HG2  THR  82          3HG2      THR  82  13.738  -8.885  -2.936
  636    H    PHE  83           H        PHE  83  13.673 -12.074  -1.612
  637    HA   PHE  83           HA       PHE  83  12.507 -12.910   0.929
  638   1HB   PHE  83          2HB       PHE  83  13.848 -14.462  -0.560
  639   2HB   PHE  83          3HB       PHE  83  15.271 -13.522  -0.120
  640    HD1  PHE  83           HD1      PHE  83  12.432 -14.485   2.065
  641    HD2  PHE  83           HD2      PHE  83  16.529 -15.070   1.078
  642    HE1  PHE  83           HE1      PHE  83  12.712 -15.875   4.074
  643    HE2  PHE  83           HE2      PHE  83  16.814 -16.465   3.082
  644    HZ   PHE  83           HZ       PHE  83  14.906 -16.868   4.584
  645    H    GLU  84           H        GLU  84  15.192 -10.998  -0.309
  646    HA   GLU  84           HA       GLU  84  16.301 -10.410   2.221
  647   1HB   GLU  84          2HB       GLU  84  17.680  -8.762   0.909
  648   2HB   GLU  84          3HB       GLU  84  17.729 -10.421   0.328
  649   1HG   GLU  84          2HG       GLU  84  16.083  -9.845  -1.401
  650   2HG   GLU  84          3HG       GLU  84  16.103  -8.174  -0.841
  651    H    ASP  85           H        ASP  85  13.532  -9.644   2.116
  652    HA   ASP  85           HA       ASP  85  12.166  -8.050   2.951
  653   1HB   ASP  85          2HB       ASP  85  14.782  -6.766   3.758
  654   2HB   ASP  85          3HB       ASP  85  13.202  -6.203   4.286
  655    HA   PRO  86           HA       PRO  86  11.604  -5.168  -0.372
  656   1HB   PRO  86          2HB       PRO  86   9.625  -3.895   1.404
  657   2HB   PRO  86          3HB       PRO  86   9.393  -4.650  -0.175
  658   1HG   PRO  86          2HG       PRO  86   8.512  -5.819   2.060
  659   2HG   PRO  86          3HG       PRO  86   9.181  -6.772   0.722
  660   1HD   PRO  86          2HD       PRO  86  10.485  -5.947   3.295
  661   2HD   PRO  86          3HD       PRO  86  10.527  -7.520   2.466
  662    H    ARG  87           H        ARG  87  11.646  -3.940   2.965
  663    HA   ARG  87           HA       ARG  87  13.449  -1.799   2.089
  664   1HB   ARG  87          2HB       ARG  87  11.023  -0.993   2.333
  665   2HB   ARG  87          3HB       ARG  87  11.228  -1.267   4.057
  666   1HG   ARG  87          2HG       ARG  87  13.325   0.234   3.783
  667   2HG   ARG  87          3HG       ARG  87  12.536   0.753   2.293
  668   1HD   ARG  87          2HD       ARG  87  11.515   0.984   5.109
  669   2HD   ARG  87          3HD       ARG  87  11.905   2.285   3.987
  670    HE   ARG  87           HE       ARG  87   9.881   0.690   2.859
  671   1HH1  ARG  87          2HH1      ARG  87  10.403   3.020   5.423
  672   2HH1  ARG  87          1HH1      ARG  87   8.729   3.459   5.534
  673   1HH2  ARG  87          2HH2      ARG  87   7.675   1.284   3.005
  674   2HH2  ARG  87          1HH2      ARG  87   7.185   2.478   4.167
  675    HA   PRO  88           HA       PRO  88  14.975  -4.235   5.733
  676   1HB   PRO  88          2HB       PRO  88  17.614  -3.993   4.985
  677   2HB   PRO  88          3HB       PRO  88  16.558  -5.321   4.494
  678   1HG   PRO  88          2HG       PRO  88  17.323  -2.851   2.993
  679   2HG   PRO  88          3HG       PRO  88  17.161  -4.516   2.404
  680   1HD   PRO  88          2HD       PRO  88  15.254  -2.676   1.969
  681   2HD   PRO  88          3HD       PRO  88  14.854  -4.378   2.274
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -28.185  14.338   7.042
    2   2H    GLY   1          2H        GLY   1 -27.002  14.740   8.185
    3   3H    GLY   1          3H        GLY   1 -28.551  14.278   8.695
    4   1HA   GLY   1          2HA       GLY   1 -26.320  12.650   8.251
    5   2HA   GLY   1          1HA       GLY   1 -27.918  12.183   8.815
    6    H    SER   2           H        SER   2 -25.778  11.221   6.737
    7    HA   SER   2           HA       SER   2 -27.607   9.941   4.996
    8   1HB   SER   2          2HB       SER   2 -27.735  12.163   3.957
    9   2HB   SER   2          3HB       SER   2 -25.979  12.213   3.815
   10    HG   SER   2           HG       SER   2 -26.030  10.777   2.215
   11    HA   PRO   3           HA       PRO   3 -23.961   7.406   5.174
   12   1HB   PRO   3          2HB       PRO   3 -25.339   5.681   3.238
   13   2HB   PRO   3          3HB       PRO   3 -24.855   5.338   4.900
   14   1HG   PRO   3          2HG       PRO   3 -27.434   5.657   4.197
   15   2HG   PRO   3          3HG       PRO   3 -26.818   6.160   5.782
   16   1HD   PRO   3          2HD       PRO   3 -27.408   7.823   3.361
   17   2HD   PRO   3          3HD       PRO   3 -27.733   8.169   5.073
   18    H    GLU   4           H        GLU   4 -22.131   7.358   4.071
   19    HA   GLU   4           HA       GLU   4 -20.582   7.507   2.440
   20   1HB   GLU   4          2HB       GLU   4 -22.908   6.808   0.649
   21   2HB   GLU   4          3HB       GLU   4 -21.249   6.941   0.088
   22   1HG   GLU   4          2HG       GLU   4 -22.144   5.048   2.242
   23   2HG   GLU   4          3HG       GLU   4 -22.021   4.622   0.538
   24    H    PHE   5           H        PHE   5 -19.661   9.342   1.974
   25    HA   PHE   5           HA       PHE   5 -21.281  11.507   0.805
   26   1HB   PHE   5          2HB       PHE   5 -18.742  11.552   2.434
   27   2HB   PHE   5          3HB       PHE   5 -19.268  12.943   1.495
   28    HD1  PHE   5           HD1      PHE   5 -20.322  14.582   2.709
   29    HD2  PHE   5           HD2      PHE   5 -20.802  10.519   3.880
   30    HE1  PHE   5           HE1      PHE   5 -21.733  15.293   4.594
   31    HE2  PHE   5           HE2      PHE   5 -22.215  11.224   5.763
   32    HZ   PHE   5           HZ       PHE   5 -22.680  13.664   6.104
   33    H    HIS   6           H        HIS   6 -20.402   9.356  -0.775
   34    HA   HIS   6           HA       HIS   6 -18.757  10.806  -2.686
   35   1HB   HIS   6          2HB       HIS   6 -17.977   8.161  -1.478
   36   2HB   HIS   6          3HB       HIS   6 -17.404   8.651  -3.067
   37    HD1  HIS   6           HD1      HIS   6 -16.223  11.196  -2.974
   38    HD2  HIS   6           HD2      HIS   6 -16.265   8.886   0.485
   39    HE1  HIS   6           HE1      HIS   6 -14.445  12.172  -1.488
   40    HE2  HIS   6           HE2      HIS   6 -14.610  10.878   0.666
   41    H    MET   7           H        MET   7 -19.753   7.395  -2.378
   42    HA   MET   7           HA       MET   7 -21.006   6.036  -3.720
   43   1HB   MET   7          2HB       MET   7 -22.347   8.629  -4.451
   44   2HB   MET   7          3HB       MET   7 -22.959   7.041  -4.884
   45   1HG   MET   7          2HG       MET   7 -22.587   8.054  -2.073
   46   2HG   MET   7          3HG       MET   7 -24.115   8.014  -2.951
   47   1HE   MET   7          1HE       MET   7 -23.845   4.229  -3.974
   48   2HE   MET   7          2HE       MET   7 -25.337   4.986  -3.412
   49   3HE   MET   7          3HE       MET   7 -24.261   5.862  -4.500
   50    H    ASP   8           H        ASP   8 -18.588   7.357  -4.678
   51    HA   ASP   8           HA       ASP   8 -18.946   7.937  -7.462
   52   1HB   ASP   8          2HB       ASP   8 -16.647   7.898  -5.558
   53   2HB   ASP   8          3HB       ASP   8 -16.308   7.850  -7.285
   54    H    ALA   9           H        ALA   9 -16.851   6.915  -8.738
   55    HA   ALA   9           HA       ALA   9 -17.440   4.045  -8.877
   56   1HB   ALA   9          1HB       ALA   9 -15.841   5.736 -10.799
   57   2HB   ALA   9          2HB       ALA   9 -16.358   4.068 -11.033
   58   3HB   ALA   9          3HB       ALA   9 -17.554   5.361 -10.975
   59    H    LEU  10           H        LEU  10 -14.698   6.304  -8.802
   60    HA   LEU  10           HA       LEU  10 -12.838   4.210  -8.082
   61   1HB   LEU  10          2HB       LEU  10 -12.592   7.196  -8.342
   62   2HB   LEU  10          3HB       LEU  10 -11.300   6.228  -7.663
   63    HG   LEU  10           HG       LEU  10 -11.330   4.909  -9.842
   64   1HD1  LEU  10          1HD1      LEU  10 -12.169   6.276 -11.793
   65   2HD1  LEU  10          2HD1      LEU  10 -13.403   5.500 -10.799
   66   3HD1  LEU  10          3HD1      LEU  10 -13.082   7.225 -10.617
   67   1HD2  LEU  10          1HD2      LEU  10 -10.033   7.257  -9.082
   68   2HD2  LEU  10          2HD2      LEU  10  -9.538   6.118 -10.335
   69   3HD2  LEU  10          3HD2      LEU  10 -10.524   7.518 -10.757
   70    H    GLY  11           H        GLY  11 -14.576   6.815  -6.502
   71   1HA   GLY  11          1HA       GLY  11 -14.926   7.329  -4.297
   72   2HA   GLY  11          2HA       GLY  11 -14.700   5.612  -3.999
   73    HA   PRO  12           HA       PRO  12 -10.308   7.330  -3.419
   74   1HB   PRO  12          2HB       PRO  12  -9.733   9.912  -3.944
   75   2HB   PRO  12          3HB       PRO  12  -9.730   8.668  -5.199
   76   1HG   PRO  12          2HG       PRO  12 -11.823  10.702  -4.553
   77   2HG   PRO  12          3HG       PRO  12 -11.241  10.152  -6.135
   78   1HD   PRO  12          2HD       PRO  12 -13.556   9.268  -4.970
   79   2HD   PRO  12          3HD       PRO  12 -12.614   8.324  -6.140
   80    H    LEU  13           H        LEU  13  -9.272   9.612  -2.242
   81    HA   LEU  13           HA       LEU  13  -9.081  10.644  -0.234
   82   1HB   LEU  13          2HB       LEU  13 -12.076  10.919  -0.450
   83   2HB   LEU  13          3HB       LEU  13 -11.028  11.860   0.592
   84    HG   LEU  13           HG       LEU  13 -11.014  11.913  -2.427
   85   1HD1  LEU  13          1HD1      LEU  13 -12.994  12.949  -1.362
   86   2HD1  LEU  13          2HD1      LEU  13 -11.913  14.017  -0.470
   87   3HD1  LEU  13          3HD1      LEU  13 -11.979  14.100  -2.230
   88   1HD2  LEU  13          1HD2      LEU  13  -9.206  13.264  -2.387
   89   2HD2  LEU  13          2HD2      LEU  13  -9.640  13.984  -0.837
   90   3HD2  LEU  13          3HD2      LEU  13  -8.872  12.399  -0.889
   91    HA   PRO  14           HA       PRO  14 -10.689   6.820   2.014
   92   1HB   PRO  14          2HB       PRO  14  -8.305   5.634   2.514
   93   2HB   PRO  14          3HB       PRO  14  -9.223   5.350   1.030
   94   1HG   PRO  14          2HG       PRO  14  -6.888   7.156   1.498
   95   2HG   PRO  14          3HG       PRO  14  -7.215   6.082   0.125
   96   1HD   PRO  14          2HD       PRO  14  -7.669   8.758   0.050
   97   2HD   PRO  14          3HD       PRO  14  -8.630   7.589  -0.877
   98    H    ASP  15           H        ASP  15  -8.142   6.212   3.761
   99    HA   ASP  15           HA       ASP  15  -9.063   7.704   6.012
  100   1HB   ASP  15          2HB       ASP  15  -6.643   5.914   5.705
  101   2HB   ASP  15          3HB       ASP  15  -7.234   6.556   7.233
  102    H    GLY  16           H        GLY  16  -6.640   8.228   3.630
  103   1HA   GLY  16          1HA       GLY  16  -5.987  10.806   4.579
  104   2HA   GLY  16          2HA       GLY  16  -4.738   9.670   5.078
  105    H    TRP  17           H        TRP  17  -5.124   8.034   2.666
  106    HA   TRP  17           HA       TRP  17  -3.127   9.163   1.103
  107   1HB   TRP  17          2HB       TRP  17  -5.073   6.929   0.559
  108   2HB   TRP  17          3HB       TRP  17  -3.833   7.389  -0.598
  109    HD1  TRP  17           HD1      TRP  17  -4.386   5.336   2.473
  110    HE1  TRP  17           HE1      TRP  17  -2.174   4.187   3.131
  111    HE3  TRP  17           HE3      TRP  17  -1.193   7.923  -0.557
  112    HZ2  TRP  17           HZ2      TRP  17   0.560   4.387   2.489
  113    HZ3  TRP  17           HZ3      TRP  17   1.202   7.386  -0.471
  114    HH2  TRP  17           HH2      TRP  17   2.061   5.656   1.019
  115    H    GLU  18           H        GLU  18  -3.108   9.831  -1.032
  116    HA   GLU  18           HA       GLU  18  -5.666  10.538  -2.252
  117   1HB   GLU  18          2HB       GLU  18  -4.748  12.621  -1.346
  118   2HB   GLU  18          3HB       GLU  18  -3.233  12.333  -2.191
  119   1HG   GLU  18          2HG       GLU  18  -4.205  12.709  -4.287
  120   2HG   GLU  18          3HG       GLU  18  -5.842  12.568  -3.646
  121    H    LYS  19           H        LYS  19  -5.775   9.241  -3.944
  122    HA   LYS  19           HA       LYS  19  -3.280   8.544  -5.312
  123   1HB   LYS  19          2HB       LYS  19  -4.548   6.493  -6.041
  124   2HB   LYS  19          3HB       LYS  19  -4.223   6.621  -4.321
  125   1HG   LYS  19          2HG       LYS  19  -6.595   7.620  -4.175
  126   2HG   LYS  19          3HG       LYS  19  -6.819   6.906  -5.773
  127   1HD   LYS  19          2HD       LYS  19  -6.075   5.472  -3.222
  128   2HD   LYS  19          3HD       LYS  19  -7.597   5.346  -4.106
  129   1HE   LYS  19          2HE       LYS  19  -6.435   4.339  -5.993
  130   2HE   LYS  19          3HE       LYS  19  -4.895   4.513  -5.156
  131   1HZ   LYS  19          1HZ       LYS  19  -5.281   2.454  -4.437
  132   2HZ   LYS  19          2HZ       LYS  19  -6.927   2.505  -4.858
  133   3HZ   LYS  19          3HZ       LYS  19  -6.415   3.146  -3.376
  134    H    LYS  20           H        LYS  20  -2.993   8.815  -7.432
  135    HA   LYS  20           HA       LYS  20  -5.250   9.747  -9.063
  136   1HB   LYS  20          2HB       LYS  20  -4.022  11.746  -8.429
  137   2HB   LYS  20          3HB       LYS  20  -2.504  11.012  -8.920
  138   1HG   LYS  20          2HG       LYS  20  -3.222  11.022 -11.240
  139   2HG   LYS  20          3HG       LYS  20  -4.785  11.693 -10.767
  140   1HD   LYS  20          2HD       LYS  20  -3.693  13.705  -9.939
  141   2HD   LYS  20          3HD       LYS  20  -2.113  13.025 -10.328
  142   1HE   LYS  20          2HE       LYS  20  -4.281  13.556 -12.351
  143   2HE   LYS  20          3HE       LYS  20  -2.959  14.666 -12.000
  144   1HZ   LYS  20          1HZ       LYS  20  -1.565  12.487 -12.491
  145   2HZ   LYS  20          2HZ       LYS  20  -2.045  13.548 -13.726
  146   3HZ   LYS  20          3HZ       LYS  20  -2.925  12.129 -13.442
  147    H    ILE  21           H        ILE  21  -5.359   8.673 -11.022
  148    HA   ILE  21           HA       ILE  21  -3.292   6.717 -11.546
  149    HB   ILE  21           HB       ILE  21  -5.517   5.932 -11.818
  150   1HG1  ILE  21          2HG1      ILE  21  -4.302   6.337 -14.559
  151   2HG1  ILE  21          3HG1      ILE  21  -3.807   5.102 -13.407
  152   1HG2  ILE  21          1HG2      ILE  21  -5.892   8.412 -13.409
  153   2HG2  ILE  21          2HG2      ILE  21  -6.832   6.986 -13.851
  154   3HG2  ILE  21          3HG2      ILE  21  -6.954   7.653 -12.221
  155   1HD1  ILE  21          1HD1      ILE  21  -6.204   5.243 -15.129
  156   2HD1  ILE  21          2HD1      ILE  21  -5.203   3.864 -14.678
  157   3HD1  ILE  21          3HD1      ILE  21  -6.389   4.503 -13.540
  158    H    GLN  22           H        GLN  22  -1.500   7.277 -12.572
  159    HA   GLN  22           HA       GLN  22  -1.258   9.517 -14.295
  160   1HB   GLN  22          2HB       GLN  22   0.653   8.672 -13.050
  161   2HB   GLN  22          3HB       GLN  22   0.524   7.110 -13.844
  162   1HG   GLN  22          2HG       GLN  22   1.079   8.168 -15.983
  163   2HG   GLN  22          3HG       GLN  22   1.246   9.718 -15.161
  164   1HE2  GLN  22          1HE2      GLN  22   3.235  10.255 -14.743
  165   2HE2  GLN  22          2HE2      GLN  22   4.545   9.171 -14.407
  166    H    SER  23           H        SER  23  -0.817   9.486 -16.577
  167    HA   SER  23           HA       SER  23  -2.618   8.048 -18.123
  168   1HB   SER  23          2HB       SER  23  -1.060   8.843 -20.046
  169   2HB   SER  23          3HB       SER  23  -1.880  10.044 -19.049
  170    HG   SER  23           HG       SER  23   0.790   9.124 -18.647
  171    H    ASP  24           H        ASP  24   0.260   6.895 -16.843
  172    HA   ASP  24           HA       ASP  24   0.908   4.925 -18.871
  173   1HB   ASP  24          2HB       ASP  24   2.500   5.858 -17.069
  174   2HB   ASP  24          3HB       ASP  24   1.652   4.808 -15.942
  175    H    ASN  25           H        ASN  25  -1.104   5.360 -16.193
  176    HA   ASN  25           HA       ASN  25  -3.133   4.289 -15.677
  177   1HB   ASN  25          2HB       ASN  25  -1.894   1.843 -16.965
  178   2HB   ASN  25          3HB       ASN  25  -3.409   1.821 -16.071
  179   1HD2  ASN  25          1HD2      ASN  25  -3.487   4.732 -17.461
  180   2HD2  ASN  25          2HD2      ASN  25  -4.259   4.346 -18.958
  181    H    ARG  26           H        ARG  26  -0.576   4.775 -14.416
  182    HA   ARG  26           HA       ARG  26  -0.508   2.636 -12.387
  183   1HB   ARG  26          2HB       ARG  26   1.504   4.855 -12.794
  184   2HB   ARG  26          3HB       ARG  26   1.660   3.470 -11.723
  185   1HG   ARG  26          2HG       ARG  26   1.615   2.007 -13.745
  186   2HG   ARG  26          3HG       ARG  26   1.693   3.469 -14.729
  187   1HD   ARG  26          2HD       ARG  26   3.724   2.566 -12.692
  188   2HD   ARG  26          3HD       ARG  26   3.905   2.512 -14.443
  189    HE   ARG  26           HE       ARG  26   3.377   5.160 -13.686
  190   1HH1  ARG  26          2HH1      ARG  26   5.890   2.744 -13.433
  191   2HH1  ARG  26          1HH1      ARG  26   7.181   3.904 -13.295
  192   1HH2  ARG  26          2HH2      ARG  26   5.053   6.697 -13.496
  193   2HH2  ARG  26          1HH2      ARG  26   6.703   6.160 -13.346
  194    H    VAL  27           H        VAL  27  -1.693   3.095 -10.584
  195    HA   VAL  27           HA       VAL  27  -2.590   5.742 -10.095
  196    HB   VAL  27           HB       VAL  27  -2.709   3.413  -8.178
  197   1HG1  VAL  27          1HG1      VAL  27  -3.393   6.002  -7.764
  198   2HG1  VAL  27          2HG1      VAL  27  -4.919   5.332  -8.344
  199   3HG1  VAL  27          3HG1      VAL  27  -4.124   4.627  -6.936
  200   1HG2  VAL  27          1HG2      VAL  27  -3.648   3.201 -10.667
  201   2HG2  VAL  27          2HG2      VAL  27  -4.472   2.490  -9.280
  202   3HG2  VAL  27          3HG2      VAL  27  -5.016   4.035  -9.932
  203    H    TYR  28           H        TYR  28  -1.232   7.300  -9.340
  204    HA   TYR  28           HA       TYR  28   0.985   6.604  -7.633
  205   1HB   TYR  28          2HB       TYR  28  -0.128   9.207  -8.662
  206   2HB   TYR  28          3HB       TYR  28   1.070   9.189  -7.374
  207    HD1  TYR  28           HD1      TYR  28   3.168   9.724  -8.114
  208    HD2  TYR  28           HD2      TYR  28   0.665   7.383 -10.632
  209    HE1  TYR  28           HE1      TYR  28   4.973   9.599  -9.779
  210    HE2  TYR  28           HE2      TYR  28   2.463   7.244 -12.300
  211    HH   TYR  28           HH       TYR  28   5.275   9.197 -12.153
  212    H    PHE  29           H        PHE  29   1.164   7.308  -5.457
  213    HA   PHE  29           HA       PHE  29  -1.363   7.968  -4.186
  214   1HB   PHE  29          2HB       PHE  29  -0.570   6.503  -2.232
  215   2HB   PHE  29          3HB       PHE  29  -1.309   5.735  -3.623
  216    HD1  PHE  29           HD1      PHE  29   0.273   4.681  -5.354
  217    HD2  PHE  29           HD2      PHE  29   1.458   5.782  -1.423
  218    HE1  PHE  29           HE1      PHE  29   2.104   3.045  -5.448
  219    HE2  PHE  29           HE2      PHE  29   3.297   4.159  -1.517
  220    HZ   PHE  29           HZ       PHE  29   3.618   2.780  -3.529
  221    H    VAL  30           H        VAL  30  -1.268   9.426  -2.645
  222    HA   VAL  30           HA       VAL  30   1.385  10.481  -1.932
  223    HB   VAL  30           HB       VAL  30  -1.147  12.119  -2.193
  224   1HG1  VAL  30          1HG1      VAL  30   1.161  12.671  -0.849
  225   2HG1  VAL  30          2HG1      VAL  30   1.456  13.429  -2.416
  226   3HG1  VAL  30          3HG1      VAL  30   0.033  13.875  -1.473
  227   1HG2  VAL  30          1HG2      VAL  30   1.093  12.273  -4.168
  228   2HG2  VAL  30          2HG2      VAL  30  -0.193  11.082  -4.366
  229   3HG2  VAL  30          3HG2      VAL  30  -0.582  12.802  -4.329
  230    H    ASN  31           H        ASN  31   1.749  10.533   0.203
  231    HA   ASN  31           HA       ASN  31  -0.571  10.233   1.987
  232   1HB   ASN  31          2HB       ASN  31   1.196   8.468   2.191
  233   2HB   ASN  31          3HB       ASN  31   2.358   9.728   2.589
  234   1HD2  ASN  31          1HD2      ASN  31   2.806   9.678   4.658
  235   2HD2  ASN  31          2HD2      ASN  31   1.671   9.397   5.945
  236    H    HIS  32           H        HIS  32  -1.096  12.005   3.099
  237    HA   HIS  32           HA       HIS  32   0.529  14.344   2.623
  238   1HB   HIS  32          2HB       HIS  32  -2.250  13.932   3.699
  239   2HB   HIS  32          3HB       HIS  32  -1.464  15.506   3.780
  240    HD1  HIS  32           HD1      HIS  32  -0.478  16.279   1.264
  241    HD2  HIS  32           HD2      HIS  32  -3.696  13.642   1.423
  242    HE1  HIS  32           HE1      HIS  32  -1.567  16.396  -0.999
  243    HE2  HIS  32           HE2      HIS  32  -3.593  14.906  -0.842
  244    H    LYS  33           H        LYS  33   0.256  12.104   5.084
  245    HA   LYS  33           HA       LYS  33   0.631  13.745   7.344
  246   1HB   LYS  33          2HB       LYS  33  -0.081  11.364   7.430
  247   2HB   LYS  33          3HB       LYS  33   1.542  10.886   6.951
  248   1HG   LYS  33          2HG       LYS  33   1.295  10.618   9.323
  249   2HG   LYS  33          3HG       LYS  33   2.424  11.935   9.000
  250   1HD   LYS  33          2HD       LYS  33   0.578  13.547   9.349
  251   2HD   LYS  33          3HD       LYS  33  -0.480  12.201   9.773
  252   1HE   LYS  33          2HE       LYS  33   2.061  12.953  11.216
  253   2HE   LYS  33          3HE       LYS  33   0.427  13.338  11.756
  254   1HZ   LYS  33          1HZ       LYS  33   1.549  11.305  12.752
  255   2HZ   LYS  33          2HZ       LYS  33   1.270  10.546  11.263
  256   3HZ   LYS  33          3HZ       LYS  33  -0.035  11.108  12.181
  257    H    ASN  34           H        ASN  34   2.970  12.094   5.199
  258    HA   ASN  34           HA       ASN  34   5.068  13.757   6.422
  259   1HB   ASN  34          2HB       ASN  34   5.274  11.072   5.050
  260   2HB   ASN  34          3HB       ASN  34   6.673  12.077   5.412
  261   1HD2  ASN  34          1HD2      ASN  34   7.656  11.687   7.243
  262   2HD2  ASN  34          2HD2      ASN  34   6.971  10.888   8.624
  263    H    ARG  35           H        ARG  35   3.131  13.413   3.747
  264    HA   ARG  35           HA       ARG  35   3.027  14.371   1.718
  265   1HB   ARG  35          2HB       ARG  35   3.805  16.400   2.974
  266   2HB   ARG  35          3HB       ARG  35   5.449  15.992   2.505
  267   1HG   ARG  35          2HG       ARG  35   4.957  16.326   0.199
  268   2HG   ARG  35          3HG       ARG  35   3.230  16.483   0.537
  269   1HD   ARG  35          2HD       ARG  35   5.418  18.352   1.433
  270   2HD   ARG  35          3HD       ARG  35   4.209  18.670   0.189
  271    HE   ARG  35           HE       ARG  35   2.861  18.033   2.550
  272   1HH1  ARG  35          2HH1      ARG  35   4.920  20.556   1.279
  273   2HH1  ARG  35          1HH1      ARG  35   4.262  21.792   2.309
  274   1HH2  ARG  35          2HH2      ARG  35   1.986  19.644   3.902
  275   2HH2  ARG  35          1HH2      ARG  35   2.594  21.270   3.816
  276    H    THR  36           H        THR  36   3.658  12.187   1.148
  277    HA   THR  36           HA       THR  36   6.138  12.178  -0.453
  278    HB   THR  36           HB       THR  36   5.074   9.713   0.938
  279    HG1  THR  36           HG1      THR  36   7.010  10.201   2.372
  280   1HG2  THR  36          1HG2      THR  36   7.888  10.281   0.053
  281   2HG2  THR  36          2HG2      THR  36   6.683   9.628  -1.057
  282   3HG2  THR  36          3HG2      THR  36   7.130   8.724   0.390
  283    H    THR  37           H        THR  37   5.890  11.198  -2.567
  284    HA   THR  37           HA       THR  37   3.184  10.195  -3.124
  285    HB   THR  37           HB       THR  37   4.906  11.798  -5.032
  286    HG1  THR  37           HG1      THR  37   3.031  13.330  -4.666
  287   1HG2  THR  37          1HG2      THR  37   3.559  10.907  -6.577
  288   2HG2  THR  37          2HG2      THR  37   2.266  11.878  -5.872
  289   3HG2  THR  37          3HG2      THR  37   2.495  10.207  -5.356
  290    H    GLN  38           H        GLN  38   3.098   8.401  -4.468
  291    HA   GLN  38           HA       GLN  38   5.588   7.287  -5.568
  292   1HB   GLN  38          2HB       GLN  38   3.801   5.897  -3.566
  293   2HB   GLN  38          3HB       GLN  38   5.045   5.086  -4.505
  294   1HG   GLN  38          2HG       GLN  38   6.746   6.514  -3.459
  295   2HG   GLN  38          3HG       GLN  38   5.484   7.278  -2.491
  296   1HE2  GLN  38          1HE2      GLN  38   5.167   6.479  -0.558
  297   2HE2  GLN  38          2HE2      GLN  38   5.603   4.886  -0.024
  298    H    TRP  39           H        TRP  39   5.255   5.743  -7.218
  299    HA   TRP  39           HA       TRP  39   2.576   5.775  -8.373
  300   1HB   TRP  39          2HB       TRP  39   3.723   4.634 -10.324
  301   2HB   TRP  39          3HB       TRP  39   4.252   6.274  -9.977
  302    HD1  TRP  39           HD1      TRP  39   5.458   2.678  -9.077
  303    HE1  TRP  39           HE1      TRP  39   8.031   2.679  -9.141
  304    HE3  TRP  39           HE3      TRP  39   6.239   7.611 -10.163
  305    HZ2  TRP  39           HZ2      TRP  39  10.112   4.526  -9.593
  306    HZ3  TRP  39           HZ3      TRP  39   8.551   8.416 -10.395
  307    HH2  TRP  39           HH2      TRP  39  10.446   6.902 -10.117
  308    H    GLU  40           H        GLU  40   1.501   3.853  -9.039
  309    HA   GLU  40           HA       GLU  40   1.347   1.502  -9.283
  310   1HB   GLU  40          2HB       GLU  40   3.473   1.422  -7.529
  311   2HB   GLU  40          3HB       GLU  40   2.152   0.752  -6.579
  312   1HG   GLU  40          2HG       GLU  40   3.131  -0.211  -9.253
  313   2HG   GLU  40          3HG       GLU  40   3.320  -1.022  -7.698
  314    H    ASP  41           H        ASP  41   1.129   1.515  -5.833
  315    HA   ASP  41           HA       ASP  41  -1.332   2.570  -5.238
  316   1HB   ASP  41          2HB       ASP  41  -2.269   0.944  -6.885
  317   2HB   ASP  41          3HB       ASP  41  -1.583  -0.374  -5.942
  318    HA   PRO  42           HA       PRO  42   0.607   0.896  -1.571
  319   1HB   PRO  42          2HB       PRO  42  -0.471   2.545   0.245
  320   2HB   PRO  42          3HB       PRO  42   0.704   3.110  -0.946
  321   1HG   PRO  42          2HG       PRO  42  -2.201   3.586  -0.799
  322   2HG   PRO  42          3HG       PRO  42  -0.937   4.550  -1.580
  323   1HD   PRO  42          2HD       PRO  42  -2.724   2.659  -2.780
  324   2HD   PRO  42          3HD       PRO  42  -1.465   3.622  -3.578
  325    H    ARG  43           H        ARG  43  -1.868  -0.385  -2.574
  326    HA   ARG  43           HA       ARG  43  -3.264  -2.034  -1.899
  327   1HB   ARG  43          2HB       ARG  43  -1.396  -2.749  -0.474
  328   2HB   ARG  43          3HB       ARG  43  -1.940  -1.663   0.795
  329   1HG   ARG  43          2HG       ARG  43  -3.912  -2.952   1.152
  330   2HG   ARG  43          3HG       ARG  43  -3.582  -3.943  -0.272
  331   1HD   ARG  43          2HD       ARG  43  -1.851  -3.798   2.196
  332   2HD   ARG  43          3HD       ARG  43  -3.001  -5.085   1.835
  333    HE   ARG  43           HE       ARG  43  -0.351  -4.860   0.856
  334   1HH1  ARG  43          2HH1      ARG  43  -3.571  -5.865  -0.119
  335   2HH1  ARG  43          1HH1      ARG  43  -2.998  -6.964  -1.341
  336   1HH2  ARG  43          2HH2      ARG  43   0.398  -6.269  -0.785
  337   2HH2  ARG  43          1HH2      ARG  43  -0.745  -7.172  -1.740
  338    H    THR  44           H        THR  44  -5.315  -2.288  -1.058
  339    HA   THR  44           HA       THR  44  -6.645   0.154  -0.278
  340    HB   THR  44           HB       THR  44  -7.908  -2.583  -0.511
  341    HG1  THR  44           HG1      THR  44  -6.873  -0.875  -2.444
  342   1HG2  THR  44          1HG2      THR  44  -9.399  -1.009   0.486
  343   2HG2  THR  44          2HG2      THR  44  -9.878  -1.155  -1.204
  344   3HG2  THR  44          3HG2      THR  44  -8.949   0.244  -0.669
  345    H    GLN  45           H        GLN  45  -5.020  -0.110   1.637
  346    HA   GLN  45           HA       GLN  45  -5.882  -1.778   3.821
  347   1HB   GLN  45          2HB       GLN  45  -4.108  -0.269   5.016
  348   2HB   GLN  45          3HB       GLN  45  -3.594  -1.493   3.867
  349   1HG   GLN  45          2HG       GLN  45  -2.406   0.670   3.638
  350   2HG   GLN  45          3HG       GLN  45  -3.223   0.151   2.167
  351   1HE2  GLN  45          1HE2      GLN  45  -2.856   2.626   4.479
  352   2HE2  GLN  45          2HE2      GLN  45  -4.081   3.691   3.864
  353    H    GLY  46           H        GLY  46  -4.995   0.707   5.507
  354   1HA   GLY  46          1HA       GLY  46  -7.067   2.608   5.279
  355   2HA   GLY  46          2HA       GLY  46  -7.365   1.524   6.641
  356    H    GLN  47           H        GLN  47  -5.130   1.019   7.765
  357    HA   GLN  47           HA       GLN  47  -3.604   3.523   8.102
  358   1HB   GLN  47          2HB       GLN  47  -4.625   1.692  10.270
  359   2HB   GLN  47          3HB       GLN  47  -3.324   2.842  10.539
  360   1HG   GLN  47          2HG       GLN  47  -6.043   3.638   9.535
  361   2HG   GLN  47          3HG       GLN  47  -5.619   3.577  11.244
  362   1HE2  GLN  47          1HE2      GLN  47  -2.811   4.430   9.962
  363   2HE2  GLN  47          2HE2      GLN  47  -2.968   6.150   9.941
  364    H    GLU  48           H        GLU  48  -3.063   1.202   6.476
  365    HA   GLU  48           HA       GLU  48  -1.336  -0.083   5.832
  366   1HB   GLU  48          2HB       GLU  48   0.038   1.660   7.846
  367   2HB   GLU  48          3HB       GLU  48   0.894   0.298   7.141
  368   1HG   GLU  48          2HG       GLU  48   1.500   2.139   5.846
  369   2HG   GLU  48          3HG       GLU  48   0.300   1.283   4.881
  370    H    VAL  49           H        VAL  49   0.566  -0.461   8.413
  371    HA   VAL  49           HA       VAL  49   0.751  -2.967   8.804
  372    HB   VAL  49           HB       VAL  49   0.333  -1.174  11.197
  373   1HG1  VAL  49          1HG1      VAL  49   2.317  -3.363  11.232
  374   2HG1  VAL  49          2HG1      VAL  49   1.300  -2.728  12.526
  375   3HG1  VAL  49          3HG1      VAL  49   0.619  -3.829  11.327
  376   1HG2  VAL  49          1HG2      VAL  49   1.950  -0.425   9.367
  377   2HG2  VAL  49          2HG2      VAL  49   2.564  -0.502  11.019
  378   3HG2  VAL  49          3HG2      VAL  49   2.954  -1.785   9.873
  379    H    SER  50           H        SER  50  -1.779  -1.382  10.693
  380    HA   SER  50           HA       SER  50  -3.026  -3.457  11.844
  381   1HB   SER  50          2HB       SER  50  -5.246  -2.086  11.317
  382   2HB   SER  50          3HB       SER  50  -4.012  -1.459  12.412
  383    HG   SER  50           HG       SER  50  -3.414  -0.011  10.959
  384    H    LEU  51           H        LEU  51  -3.419  -2.584   8.468
  385    HA   LEU  51           HA       LEU  51  -5.239  -4.812   7.970
  386   1HB   LEU  51          2HB       LEU  51  -5.558  -2.579   6.883
  387   2HB   LEU  51          3HB       LEU  51  -4.042  -2.809   6.042
  388    HG   LEU  51           HG       LEU  51  -6.261  -3.258   4.795
  389   1HD1  LEU  51          1HD1      LEU  51  -5.242  -4.981   3.440
  390   2HD1  LEU  51          2HD1      LEU  51  -4.043  -3.772   3.901
  391   3HD1  LEU  51          3HD1      LEU  51  -4.085  -5.335   4.721
  392   1HD2  LEU  51          1HD2      LEU  51  -6.706  -5.842   5.046
  393   2HD2  LEU  51          2HD2      LEU  51  -6.134  -5.544   6.688
  394   3HD2  LEU  51          3HD2      LEU  51  -7.530  -4.662   6.067
  395    H    ILE  52           H        ILE  52  -1.912  -3.816   7.437
  396    HA   ILE  52           HA       ILE  52  -1.252  -6.052   5.716
  397    HB   ILE  52           HB       ILE  52   0.901  -4.552   7.152
  398   1HG1  ILE  52          2HG1      ILE  52  -0.559  -2.713   6.540
  399   2HG1  ILE  52          3HG1      ILE  52   0.805  -2.755   5.430
  400   1HG2  ILE  52          1HG2      ILE  52   1.099  -6.443   5.383
  401   2HG2  ILE  52          2HG2      ILE  52   0.762  -5.155   4.229
  402   3HG2  ILE  52          3HG2      ILE  52   2.168  -5.046   5.288
  403   1HD1  ILE  52          1HD1      ILE  52  -0.570  -2.826   3.710
  404   2HD1  ILE  52          2HD1      ILE  52  -1.282  -4.323   4.317
  405   3HD1  ILE  52          3HD1      ILE  52  -1.944  -2.765   4.817
  406    H    ASN  53           H        ASN  53  -2.418  -7.058   7.986
  407    HA   ASN  53           HA       ASN  53  -2.205  -8.513   9.723
  408   1HB   ASN  53          2HB       ASN  53   0.089  -9.333   7.947
  409   2HB   ASN  53          3HB       ASN  53  -0.510 -10.310   9.284
  410   1HD2  ASN  53          1HD2      ASN  53  -0.672  -9.877   6.046
  411   2HD2  ASN  53          2HD2      ASN  53  -2.219 -10.591   5.728
  412    H    GLU  54           H        GLU  54  -1.103  -6.106  10.501
  413    HA   GLU  54           HA       GLU  54   0.343  -5.109  11.957
  414   1HB   GLU  54          2HB       GLU  54  -1.061  -6.812  13.293
  415   2HB   GLU  54          3HB       GLU  54   0.417  -7.762  13.368
  416   1HG   GLU  54          2HG       GLU  54   1.559  -6.017  14.532
  417   2HG   GLU  54          3HG       GLU  54   0.206  -4.913  14.302
  418    H    GLY  55           H        GLY  55   1.662  -5.871   9.795
  419   1HA   GLY  55          1HA       GLY  55   4.278  -6.794  10.729
  420   2HA   GLY  55          2HA       GLY  55   3.511  -7.487   9.306
  421    HA   PRO  56           HA       PRO  56   6.302  -4.808   7.069
  422   1HB   PRO  56          2HB       PRO  56   4.492  -4.806   4.846
  423   2HB   PRO  56          3HB       PRO  56   6.002  -5.701   5.026
  424   1HG   PRO  56          2HG       PRO  56   3.224  -6.599   5.443
  425   2HG   PRO  56          3HG       PRO  56   4.675  -7.547   5.071
  426   1HD   PRO  56          2HD       PRO  56   3.509  -7.600   7.504
  427   2HD   PRO  56          3HD       PRO  56   5.269  -7.741   7.299
  428    H    LEU  57           H        LEU  57   6.380  -2.748   7.601
  429    HA   LEU  57           HA       LEU  57   4.180  -1.161   8.176
  430   1HB   LEU  57          2HB       LEU  57   6.299  -0.747   9.197
  431   2HB   LEU  57          3HB       LEU  57   7.053  -0.456   7.642
  432    HG   LEU  57           HG       LEU  57   5.644   1.570   7.393
  433   1HD1  LEU  57          1HD1      LEU  57   4.068   0.543   9.314
  434   2HD1  LEU  57          2HD1      LEU  57   5.049   1.651  10.273
  435   3HD1  LEU  57          3HD1      LEU  57   4.120   2.257   8.901
  436   1HD2  LEU  57          1HD2      LEU  57   7.078   2.922   8.608
  437   2HD2  LEU  57          2HD2      LEU  57   7.166   1.784   9.954
  438   3HD2  LEU  57          3HD2      LEU  57   8.001   1.426   8.442
  439    HA   PRO  58           HA       PRO  58   4.998   1.230   4.024
  440   1HB   PRO  58          2HB       PRO  58   6.168  -0.879   2.314
  441   2HB   PRO  58          3HB       PRO  58   6.598   0.829   2.453
  442   1HG   PRO  58          2HG       PRO  58   8.169  -1.078   3.473
  443   2HG   PRO  58          3HG       PRO  58   7.948   0.476   4.301
  444   1HD   PRO  58          2HD       PRO  58   6.710  -2.183   4.896
  445   2HD   PRO  58          3HD       PRO  58   7.335  -0.955   6.015
  446    HA   PRO  59           HA       PRO  59   1.186  -0.635   2.826
  447   1HB   PRO  59          2HB       PRO  59   0.328   1.340   1.178
  448   2HB   PRO  59          3HB       PRO  59   0.329   1.489   2.940
  449   1HG   PRO  59          2HG       PRO  59   2.317   2.522   0.953
  450   2HG   PRO  59          3HG       PRO  59   1.614   3.341   2.361
  451   1HD   PRO  59          2HD       PRO  59   4.075   2.234   2.411
  452   2HD   PRO  59          3HD       PRO  59   3.022   2.274   3.840
  453    H    GLY  60           H        GLY  60   0.688  -2.093   1.364
  454   1HA   GLY  60          1HA       GLY  60   0.291  -2.744  -0.934
  455   2HA   GLY  60          2HA       GLY  60   1.712  -1.813  -1.390
  456    H    TRP  61           H        TRP  61   2.478  -3.352   1.377
  457    HA   TRP  61           HA       TRP  61   3.892  -5.498  -0.025
  458   1HB   TRP  61          2HB       TRP  61   4.029  -4.473   2.799
  459   2HB   TRP  61          3HB       TRP  61   4.782  -5.981   2.314
  460    HD1  TRP  61           HD1      TRP  61   5.032  -2.195   1.594
  461    HE1  TRP  61           HE1      TRP  61   7.512  -1.698   1.004
  462    HE3  TRP  61           HE3      TRP  61   6.820  -6.973   1.345
  463    HZ2  TRP  61           HZ2      TRP  61   9.833  -3.116   0.418
  464    HZ3  TRP  61           HZ3      TRP  61   9.179  -7.313   0.740
  465    HH2  TRP  61           HH2      TRP  61  10.653  -5.422   0.283
  466    H    GLU  62           H        GLU  62   3.566  -7.678   0.451
  467    HA   GLU  62           HA       GLU  62   1.273  -8.341   2.174
  468   1HB   GLU  62          2HB       GLU  62   0.714  -8.383  -0.283
  469   2HB   GLU  62          3HB       GLU  62   1.933  -9.633  -0.485
  470   1HG   GLU  62          2HG       GLU  62   0.696 -11.120   0.958
  471   2HG   GLU  62          3HG       GLU  62  -0.495  -9.859   1.276
  472    H    ILE  63           H        ILE  63   1.486 -10.359   3.300
  473    HA   ILE  63           HA       ILE  63   4.238 -11.405   3.234
  474    HB   ILE  63           HB       ILE  63   3.682 -12.497   5.438
  475   1HG1  ILE  63          2HG1      ILE  63   1.392 -10.517   5.425
  476   2HG1  ILE  63          3HG1      ILE  63   1.211 -12.258   5.240
  477   1HG2  ILE  63          1HG2      ILE  63   3.785 -10.169   6.635
  478   2HG2  ILE  63          2HG2      ILE  63   5.132 -10.736   5.646
  479   3HG2  ILE  63          3HG2      ILE  63   3.985  -9.567   4.990
  480   1HD1  ILE  63          1HD1      ILE  63   2.741 -11.473   7.596
  481   2HD1  ILE  63          2HD1      ILE  63   1.073 -10.900   7.589
  482   3HD1  ILE  63          3HD1      ILE  63   1.413 -12.623   7.430
  483    H    ARG  64           H        ARG  64   4.599 -13.279   2.355
  484    HA   ARG  64           HA       ARG  64   2.332 -15.086   1.867
  485   1HB   ARG  64          2HB       ARG  64   3.726 -14.328  -0.086
  486   2HB   ARG  64          3HB       ARG  64   5.086 -15.187   0.622
  487   1HG   ARG  64          2HG       ARG  64   3.991 -17.286   0.360
  488   2HG   ARG  64          3HG       ARG  64   2.483 -16.500  -0.113
  489   1HD   ARG  64          2HD       ARG  64   3.515 -17.303  -2.101
  490   2HD   ARG  64          3HD       ARG  64   3.692 -15.551  -2.084
  491    HE   ARG  64           HE       ARG  64   5.941 -15.845  -2.143
  492   1HH1  ARG  64          2HH1      ARG  64   4.499 -18.789  -0.901
  493   2HH1  ARG  64          1HH1      ARG  64   6.012 -19.637  -0.787
  494   1HH2  ARG  64          2HH2      ARG  64   7.941 -16.975  -2.009
  495   2HH2  ARG  64          1HH2      ARG  64   7.965 -18.609  -1.393
  496    H    TYR  65           H        TYR  65   2.130 -16.809   3.128
  497    HA   TYR  65           HA       TYR  65   4.169 -17.421   5.061
  498   1HB   TYR  65          2HB       TYR  65   1.505 -18.736   4.474
  499   2HB   TYR  65          3HB       TYR  65   2.553 -19.176   5.814
  500    HD1  TYR  65           HD1      TYR  65   1.055 -16.063   4.380
  501    HD2  TYR  65           HD2      TYR  65   1.957 -18.307   7.882
  502    HE1  TYR  65           HE1      TYR  65  -0.001 -14.326   5.761
  503    HE2  TYR  65           HE2      TYR  65   0.896 -16.578   9.270
  504    HH   TYR  65           HH       TYR  65  -1.157 -14.310   8.137
  505    H    THR  66           H        THR  66   5.756 -18.832   4.834
  506    HA   THR  66           HA       THR  66   5.499 -20.874   2.720
  507    HB   THR  66           HB       THR  66   7.984 -21.148   2.938
  508    HG1  THR  66           HG1      THR  66   7.736 -18.710   4.418
  509   1HG2  THR  66          1HG2      THR  66   7.717 -19.977   1.040
  510   2HG2  THR  66          2HG2      THR  66   8.252 -18.591   1.988
  511   3HG2  THR  66          3HG2      THR  66   6.530 -18.894   1.765
  512    H    ALA  67           H        ALA  67   5.531 -22.977   3.284
  513    HA   ALA  67           HA       ALA  67   4.660 -23.944   5.542
  514   1HB   ALA  67          1HB       ALA  67   5.444 -25.116   3.311
  515   2HB   ALA  67          2HB       ALA  67   6.756 -25.663   4.351
  516   3HB   ALA  67          3HB       ALA  67   5.084 -26.032   4.771
  517    H    ALA  68           H        ALA  68   8.027 -23.032   5.206
  518    HA   ALA  68           HA       ALA  68   8.998 -24.395   7.511
  519   1HB   ALA  68          1HB       ALA  68  10.557 -23.656   5.852
  520   2HB   ALA  68          2HB       ALA  68  10.037 -21.983   6.037
  521   3HB   ALA  68          3HB       ALA  68  10.900 -22.788   7.347
  522    H    GLY  69           H        GLY  69   6.842 -21.882   7.208
  523   1HA   GLY  69          1HA       GLY  69   5.682 -20.980   9.041
  524   2HA   GLY  69          2HA       GLY  69   7.097 -21.244  10.049
  525    H    GLU  70           H        GLU  70   7.915 -19.862   7.078
  526    HA   GLU  70           HA       GLU  70   8.374 -17.328   8.445
  527   1HB   GLU  70          2HB       GLU  70  10.283 -18.517   7.433
  528   2HB   GLU  70          3HB       GLU  70   9.509 -18.409   5.860
  529   1HG   GLU  70          2HG       GLU  70  11.217 -16.744   6.009
  530   2HG   GLU  70          3HG       GLU  70   9.646 -15.951   5.996
  531    H    ARG  71           H        ARG  71   7.408 -15.480   7.894
  532    HA   ARG  71           HA       ARG  71   5.515 -15.540   5.661
  533   1HB   ARG  71          2HB       ARG  71   5.881 -13.510   7.873
  534   2HB   ARG  71          3HB       ARG  71   4.667 -13.409   6.606
  535   1HG   ARG  71          2HG       ARG  71   3.463 -14.271   8.363
  536   2HG   ARG  71          3HG       ARG  71   3.923 -15.733   7.489
  537   1HD   ARG  71          2HD       ARG  71   5.793 -16.065   9.030
  538   2HD   ARG  71          3HD       ARG  71   5.338 -14.601   9.902
  539    HE   ARG  71           HE       ARG  71   3.173 -16.436   9.766
  540   1HH1  ARG  71          2HH1      ARG  71   6.206 -15.859  11.414
  541   2HH1  ARG  71          1HH1      ARG  71   5.720 -16.672  12.865
  542   1HH2  ARG  71          2HH2      ARG  71   2.513 -17.480  11.685
  543   2HH2  ARG  71          1HH2      ARG  71   3.628 -17.616  13.016
  544    H    PHE  72           H        PHE  72   6.712 -15.211   3.845
  545    HA   PHE  72           HA       PHE  72   8.886 -13.423   3.674
  546   1HB   PHE  72          2HB       PHE  72   7.130 -14.658   1.542
  547   2HB   PHE  72          3HB       PHE  72   8.524 -13.656   1.168
  548    HD1  PHE  72           HD1      PHE  72   9.431 -15.540  -0.124
  549    HD2  PHE  72           HD2      PHE  72   8.743 -15.822   4.063
  550    HE1  PHE  72           HE1      PHE  72  10.874 -17.530  -0.024
  551    HE2  PHE  72           HE2      PHE  72  10.179 -17.809   4.170
  552    HZ   PHE  72           HZ       PHE  72  11.237 -18.671   2.132
  553    H    PHE  73           H        PHE  73   8.967 -11.468   2.311
  554    HA   PHE  73           HA       PHE  73   6.472  -9.931   2.612
  555   1HB   PHE  73          2HB       PHE  73   9.323  -8.970   2.329
  556   2HB   PHE  73          3HB       PHE  73   7.910  -7.926   2.414
  557    HD1  PHE  73           HD1      PHE  73   6.747  -7.574   4.489
  558    HD2  PHE  73           HD2      PHE  73  10.143 -10.123   4.288
  559    HE1  PHE  73           HE1      PHE  73   6.952  -7.487   6.938
  560    HE2  PHE  73           HE2      PHE  73  10.352 -10.042   6.733
  561    HZ   PHE  73           HZ       PHE  73   8.759  -8.719   8.061
  562    H    VAL  74           H        VAL  74   5.544  -9.062   0.840
  563    HA   VAL  74           HA       VAL  74   6.939  -9.427  -1.728
  564    HB   VAL  74           HB       VAL  74   3.950  -9.709  -1.380
  565   1HG1  VAL  74          1HG1      VAL  74   3.917 -10.455  -3.620
  566   2HG1  VAL  74          2HG1      VAL  74   4.928  -9.010  -3.603
  567   3HG1  VAL  74          3HG1      VAL  74   5.674 -10.606  -3.676
  568   1HG2  VAL  74          1HG2      VAL  74   5.532 -11.517  -0.301
  569   2HG2  VAL  74          2HG2      VAL  74   4.091 -11.988  -1.201
  570   3HG2  VAL  74          3HG2      VAL  74   5.677 -12.063  -1.971
  571    H    ASP  75           H        ASP  75   7.431  -7.469  -2.409
  572    HA   ASP  75           HA       ASP  75   5.756  -5.170  -1.780
  573   1HB   ASP  75          2HB       ASP  75   8.121  -4.763  -1.637
  574   2HB   ASP  75          3HB       ASP  75   8.404  -5.487  -3.215
  575    H    HIS  76           H        HIS  76   4.177  -4.478  -3.133
  576    HA   HIS  76           HA       HIS  76   4.145  -5.666  -5.803
  577   1HB   HIS  76          2HB       HIS  76   1.970  -4.439  -4.111
  578   2HB   HIS  76          3HB       HIS  76   1.727  -4.905  -5.790
  579    HD1  HIS  76           HD1      HIS  76   2.918  -6.580  -2.570
  580    HD2  HIS  76           HD2      HIS  76   0.795  -7.421  -6.047
  581    HE1  HIS  76           HE1      HIS  76   2.107  -8.950  -2.316
  582    HE2  HIS  76           HE2      HIS  76   0.826  -9.445  -4.433
  583    H    ASN  77           H        ASN  77   5.312  -2.955  -4.539
  584    HA   ASN  77           HA       ASN  77   4.182  -1.005  -6.345
  585   1HB   ASN  77          2HB       ASN  77   6.586  -0.919  -4.512
  586   2HB   ASN  77          3HB       ASN  77   6.094   0.426  -5.530
  587   1HD2  ASN  77          1HD2      ASN  77   3.528  -1.448  -4.266
  588   2HD2  ASN  77          2HD2      ASN  77   3.075  -0.379  -2.993
  589    H    THR  78           H        THR  78   7.210  -2.819  -6.037
  590    HA   THR  78           HA       THR  78   7.710  -2.264  -8.896
  591    HB   THR  78           HB       THR  78   9.905  -2.705  -6.872
  592    HG1  THR  78           HG1      THR  78   9.005  -0.833  -6.143
  593   1HG2  THR  78          1HG2      THR  78  11.200  -1.405  -8.600
  594   2HG2  THR  78          2HG2      THR  78   9.793  -1.542  -9.655
  595   3HG2  THR  78          3HG2      THR  78  10.646  -2.995  -9.127
  596    H    ARG  79           H        ARG  79   6.641  -4.515  -6.945
  597    HA   ARG  79           HA       ARG  79   6.467  -6.776  -6.952
  598   1HB   ARG  79          2HB       ARG  79   7.689  -6.422  -9.689
  599   2HB   ARG  79          3HB       ARG  79   7.155  -7.977  -9.069
  600   1HG   ARG  79          2HG       ARG  79   5.407  -5.561  -9.469
  601   2HG   ARG  79          3HG       ARG  79   5.504  -6.950 -10.550
  602   1HD   ARG  79          2HD       ARG  79   4.484  -6.875  -7.720
  603   2HD   ARG  79          3HD       ARG  79   3.575  -7.234  -9.187
  604    HE   ARG  79           HE       ARG  79   5.717  -9.082  -8.799
  605   1HH1  ARG  79          2HH1      ARG  79   2.416  -8.324  -7.910
  606   2HH1  ARG  79          1HH1      ARG  79   2.076  -9.930  -7.330
  607   1HH2  ARG  79          2HH2      ARG  79   5.272 -11.198  -8.005
  608   2HH2  ARG  79          1HH2      ARG  79   3.698 -11.542  -7.341
  609    H    ARG  80           H        ARG  80   7.752  -7.425  -5.302
  610    HA   ARG  80           HA       ARG  80  10.103  -8.884  -5.964
  611   1HB   ARG  80          2HB       ARG  80  10.921  -6.470  -5.899
  612   2HB   ARG  80          3HB       ARG  80  10.575  -6.498  -4.176
  613   1HG   ARG  80          2HG       ARG  80  12.890  -6.935  -4.446
  614   2HG   ARG  80          3HG       ARG  80  12.122  -8.456  -3.984
  615   1HD   ARG  80          2HD       ARG  80  13.750  -8.772  -5.793
  616   2HD   ARG  80          3HD       ARG  80  12.113  -9.179  -6.308
  617    HE   ARG  80           HE       ARG  80  12.241  -7.523  -7.866
  618   1HH1  ARG  80          2HH1      ARG  80  14.757  -6.980  -5.491
  619   2HH1  ARG  80          1HH1      ARG  80  15.356  -5.542  -6.258
  620   1HH2  ARG  80          2HH2      ARG  80  13.011  -5.631  -8.877
  621   2HH2  ARG  80          1HH2      ARG  80  14.364  -4.774  -8.192
  622    H    THR  81           H        THR  81  10.072 -10.581  -4.639
  623    HA   THR  81           HA       THR  81   8.789 -10.311  -2.015
  624    HB   THR  81           HB       THR  81   9.740 -12.798  -3.460
  625    HG1  THR  81           HG1      THR  81   7.788 -11.397  -4.206
  626   1HG2  THR  81          1HG2      THR  81   7.961 -12.514  -1.036
  627   2HG2  THR  81          2HG2      THR  81   9.638 -13.058  -1.013
  628   3HG2  THR  81          3HG2      THR  81   8.410 -14.024  -1.828
  629    H    THR  82           H        THR  82   9.939 -10.672  -0.100
  630    HA   THR  82           HA       THR  82  12.775 -11.357  -0.223
  631    HB   THR  82           HB       THR  82  13.005  -9.242   1.375
  632    HG1  THR  82           HG1      THR  82  11.511  -7.834  -0.399
  633   1HG2  THR  82          1HG2      THR  82  13.519  -7.921  -0.843
  634   2HG2  THR  82          2HG2      THR  82  13.269  -9.505  -1.580
  635   3HG2  THR  82          3HG2      THR  82  14.514  -9.289  -0.348
  636    H    PHE  83           H        PHE  83  13.625 -12.018   1.731
  637    HA   PHE  83           HA       PHE  83  11.813 -13.198   3.528
  638   1HB   PHE  83          2HB       PHE  83  14.797 -12.783   3.680
  639   2HB   PHE  83          3HB       PHE  83  13.894 -13.671   4.902
  640    HD1  PHE  83           HD1      PHE  83  14.617 -13.597   1.265
  641    HD2  PHE  83           HD2      PHE  83  13.476 -15.954   4.615
  642    HE1  PHE  83           HE1      PHE  83  14.805 -15.631  -0.104
  643    HE2  PHE  83           HE2      PHE  83  13.668 -17.990   3.256
  644    HZ   PHE  83           HZ       PHE  83  14.360 -17.859   0.937
  645    H    GLU  84           H        GLU  84  13.735 -10.242   3.740
  646    HA   GLU  84           HA       GLU  84  12.052  -9.218   5.846
  647   1HB   GLU  84          2HB       GLU  84  14.215  -8.886   7.323
  648   2HB   GLU  84          3HB       GLU  84  13.255 -10.355   7.419
  649   1HG   GLU  84          2HG       GLU  84  15.421 -11.151   7.335
  650   2HG   GLU  84          3HG       GLU  84  14.889 -11.289   5.664
  651    H    ASP  85           H        ASP  85  12.550  -8.114   3.353
  652    HA   ASP  85           HA       ASP  85  14.626  -6.166   3.454
  653   1HB   ASP  85          2HB       ASP  85  13.597  -6.994   1.332
  654   2HB   ASP  85          3HB       ASP  85  12.152  -6.067   1.725
  655    HA   PRO  86           HA       PRO  86  11.325  -2.983   4.708
  656   1HB   PRO  86          2HB       PRO  86   8.819  -3.743   5.386
  657   2HB   PRO  86          3HB       PRO  86   9.295  -3.387   3.724
  658   1HG   PRO  86          2HG       PRO  86   8.853  -6.002   5.052
  659   2HG   PRO  86          3HG       PRO  86   8.563  -5.526   3.371
  660   1HD   PRO  86          2HD       PRO  86  10.753  -6.982   4.298
  661   2HD   PRO  86          3HD       PRO  86  10.650  -6.148   2.739
  662    H    ARG  87           H        ARG  87   9.138  -4.409   6.834
  663    HA   ARG  87           HA       ARG  87  10.584  -3.704   9.141
  664   1HB   ARG  87          2HB       ARG  87   8.150  -3.930   9.188
  665   2HB   ARG  87          3HB       ARG  87   8.287  -5.654   8.862
  666   1HG   ARG  87          2HG       ARG  87   9.640  -5.801  11.007
  667   2HG   ARG  87          3HG       ARG  87   9.077  -4.164  11.346
  668   1HD   ARG  87          2HD       ARG  87   7.170  -6.383  10.696
  669   2HD   ARG  87          3HD       ARG  87   7.769  -6.136  12.335
  670    HE   ARG  87           HE       ARG  87   6.748  -3.707  11.325
  671   1HH1  ARG  87          2HH1      ARG  87   5.686  -6.871  12.395
  672   2HH1  ARG  87          1HH1      ARG  87   4.109  -6.322  12.881
  673   1HH2  ARG  87          2HH2      ARG  87   4.660  -2.980  11.980
  674   2HH2  ARG  87          1HH2      ARG  87   3.555  -4.106  12.708
  675    HA   PRO  88           HA       PRO  88  13.530  -7.030   9.264
  676   1HB   PRO  88          2HB       PRO  88  13.738  -6.269  12.122
  677   2HB   PRO  88          3HB       PRO  88  14.996  -6.349  10.885
  678   1HG   PRO  88          2HG       PRO  88  14.081  -4.002  11.759
  679   2HG   PRO  88          3HG       PRO  88  14.493  -4.250  10.051
  680   1HD   PRO  88          2HD       PRO  88  11.801  -4.197  11.361
  681   2HD   PRO  88          3HD       PRO  88  12.308  -3.514   9.803
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -22.084   6.187  -8.862
    2   2H    GLY   1          2H        GLY   1 -21.133   7.534  -9.243
    3   3H    GLY   1          3H        GLY   1 -21.594   7.251  -7.639
    4   1HA   GLY   1          2HA       GLY   1 -20.164   5.068  -8.877
    5   2HA   GLY   1          1HA       GLY   1 -19.229   6.547  -8.698
    6    H    SER   2           H        SER   2 -18.850   4.016  -7.367
    7    HA   SER   2           HA       SER   2 -18.503   3.071  -5.344
    8   1HB   SER   2          2HB       SER   2 -17.687   4.626  -3.550
    9   2HB   SER   2          3HB       SER   2 -16.865   4.797  -5.097
   10    HG   SER   2           HG       SER   2 -19.044   6.427  -4.881
   11    HA   PRO   3           HA       PRO   3 -22.850   3.688  -3.878
   12   1HB   PRO   3          2HB       PRO   3 -23.518   1.062  -3.950
   13   2HB   PRO   3          3HB       PRO   3 -23.616   2.114  -5.367
   14   1HG   PRO   3          2HG       PRO   3 -21.485   0.158  -4.602
   15   2HG   PRO   3          3HG       PRO   3 -22.216   0.452  -6.191
   16   1HD   PRO   3          2HD       PRO   3 -19.800   1.460  -5.471
   17   2HD   PRO   3          3HD       PRO   3 -20.894   2.287  -6.598
   18    H    GLU   4           H        GLU   4 -21.088   4.101  -2.057
   19    HA   GLU   4           HA       GLU   4 -20.820   1.945  -0.142
   20   1HB   GLU   4          2HB       GLU   4 -20.124   4.873   0.153
   21   2HB   GLU   4          3HB       GLU   4 -19.608   3.569   1.210
   22   1HG   GLU   4          2HG       GLU   4 -18.865   3.782  -1.697
   23   2HG   GLU   4          3HG       GLU   4 -17.870   4.368  -0.366
   24    H    PHE   5           H        PHE   5 -22.711   1.396   0.805
   25    HA   PHE   5           HA       PHE   5 -24.861   3.066   1.228
   26   1HB   PHE   5          2HB       PHE   5 -25.498   1.312   3.036
   27   2HB   PHE   5          3HB       PHE   5 -25.385   0.809   1.355
   28    HD1  PHE   5           HD1      PHE   5 -23.295   0.980   4.450
   29    HD2  PHE   5           HD2      PHE   5 -24.195  -1.081   0.842
   30    HE1  PHE   5           HE1      PHE   5 -21.720  -0.801   5.080
   31    HE2  PHE   5           HE2      PHE   5 -22.621  -2.864   1.464
   32    HZ   PHE   5           HZ       PHE   5 -21.380  -2.727   3.584
   33    H    HIS   6           H        HIS   6 -25.114   4.776   2.434
   34    HA   HIS   6           HA       HIS   6 -24.859   6.351   4.044
   35   1HB   HIS   6          2HB       HIS   6 -24.251   3.928   5.752
   36   2HB   HIS   6          3HB       HIS   6 -24.351   5.564   6.399
   37    HD1  HIS   6           HD1      HIS   6 -26.314   3.870   7.682
   38    HD2  HIS   6           HD2      HIS   6 -27.081   5.511   3.939
   39    HE1  HIS   6           HE1      HIS   6 -28.819   3.872   7.441
   40    HE2  HIS   6           HE2      HIS   6 -29.262   5.027   5.238
   41    H    MET   7           H        MET   7 -22.911   6.189   2.309
   42    HA   MET   7           HA       MET   7 -20.644   6.298   1.846
   43   1HB   MET   7          2HB       MET   7 -19.799   8.451   2.734
   44   2HB   MET   7          3HB       MET   7 -21.413   8.551   2.056
   45   1HG   MET   7          2HG       MET   7 -22.355   8.516   4.319
   46   2HG   MET   7          3HG       MET   7 -20.725   8.446   4.985
   47   1HE   MET   7          1HE       MET   7 -19.269  10.884   2.793
   48   2HE   MET   7          2HE       MET   7 -19.154  11.747   4.326
   49   3HE   MET   7          3HE       MET   7 -18.934   9.998   4.281
   50    H    ASP   8           H        ASP   8 -19.082   7.778   4.119
   51    HA   ASP   8           HA       ASP   8 -18.493   5.888   6.111
   52   1HB   ASP   8          2HB       ASP   8 -17.549   4.586   4.239
   53   2HB   ASP   8          3HB       ASP   8 -16.515   5.946   3.821
   54    H    ALA   9           H        ALA   9 -17.057   6.733   7.626
   55    HA   ALA   9           HA       ALA   9 -16.725   9.574   7.507
   56   1HB   ALA   9          1HB       ALA   9 -15.961   7.482   9.525
   57   2HB   ALA   9          2HB       ALA   9 -15.552   9.186   9.728
   58   3HB   ALA   9          3HB       ALA   9 -17.242   8.691   9.624
   59    H    LEU  10           H        LEU  10 -14.589   6.786   7.247
   60    HA   LEU  10           HA       LEU  10 -12.177   8.192   7.438
   61   1HB   LEU  10          2HB       LEU  10 -12.666   5.572   6.026
   62   2HB   LEU  10          3HB       LEU  10 -11.124   6.169   6.610
   63    HG   LEU  10           HG       LEU  10 -13.484   5.366   8.312
   64   1HD1  LEU  10          1HD1      LEU  10 -12.264   3.497   7.284
   65   2HD1  LEU  10          2HD1      LEU  10 -10.767   4.105   7.991
   66   3HD1  LEU  10          3HD1      LEU  10 -12.070   3.542   9.037
   67   1HD2  LEU  10          1HD2      LEU  10 -10.973   6.813   8.921
   68   2HD2  LEU  10          2HD2      LEU  10 -12.564   6.931   9.674
   69   3HD2  LEU  10          3HD2      LEU  10 -11.503   5.577  10.064
   70    H    GLY  11           H        GLY  11 -14.375   7.920   4.807
   71   1HA   GLY  11          1HA       GLY  11 -14.302   8.795   2.683
   72   2HA   GLY  11          2HA       GLY  11 -12.873   9.688   3.190
   73    HA   PRO  12           HA       PRO  12 -10.715   7.049   0.231
   74   1HB   PRO  12          2HB       PRO  12  -8.331   8.158   1.567
   75   2HB   PRO  12          3HB       PRO  12  -8.792   8.228  -0.135
   76   1HG   PRO  12          2HG       PRO  12  -8.888  10.397   1.446
   77   2HG   PRO  12          3HG       PRO  12 -10.071  10.125   0.151
   78   1HD   PRO  12          2HD       PRO  12 -10.354   9.702   3.101
   79   2HD   PRO  12          3HD       PRO  12 -11.523  10.367   1.941
   80    H    LEU  13           H        LEU  13  -9.778   5.071   0.452
   81    HA   LEU  13           HA       LEU  13 -10.206   3.485   2.566
   82   1HB   LEU  13          2HB       LEU  13  -7.878   3.275   0.668
   83   2HB   LEU  13          3HB       LEU  13  -8.369   1.994   1.759
   84    HG   LEU  13           HG       LEU  13 -10.092   3.144  -0.440
   85   1HD1  LEU  13          1HD1      LEU  13  -9.046   1.777  -1.838
   86   2HD1  LEU  13          2HD1      LEU  13  -7.964   1.258  -0.544
   87   3HD1  LEU  13          3HD1      LEU  13  -9.485   0.406  -0.817
   88   1HD2  LEU  13          1HD2      LEU  13 -11.739   1.659   0.160
   89   2HD2  LEU  13          2HD2      LEU  13 -10.614   0.573   0.977
   90   3HD2  LEU  13          3HD2      LEU  13 -11.090   2.090   1.742
   91    HA   PRO  14           HA       PRO  14  -5.906   4.065   4.623
   92   1HB   PRO  14          2HB       PRO  14  -4.710   6.486   3.506
   93   2HB   PRO  14          3HB       PRO  14  -4.030   4.864   3.647
   94   1HG   PRO  14          2HG       PRO  14  -4.717   5.922   1.268
   95   2HG   PRO  14          3HG       PRO  14  -4.874   4.189   1.611
   96   1HD   PRO  14          2HD       PRO  14  -6.982   6.324   1.640
   97   2HD   PRO  14          3HD       PRO  14  -7.051   4.685   0.955
   98    H    ASP  15           H        ASP  15  -7.934   6.735   3.900
   99    HA   ASP  15           HA       ASP  15  -8.901   8.382   5.148
  100   1HB   ASP  15          2HB       ASP  15  -9.108   6.615   6.856
  101   2HB   ASP  15          3HB       ASP  15  -7.536   7.063   7.501
  102    H    GLY  16           H        GLY  16  -5.518   7.842   5.587
  103   1HA   GLY  16          1HA       GLY  16  -5.090  10.700   6.182
  104   2HA   GLY  16          2HA       GLY  16  -3.879   9.443   6.417
  105    H    TRP  17           H        TRP  17  -4.461   8.068   4.019
  106    HA   TRP  17           HA       TRP  17  -3.195   9.871   2.105
  107   1HB   TRP  17          2HB       TRP  17  -3.336   6.857   2.240
  108   2HB   TRP  17          3HB       TRP  17  -2.679   7.738   0.865
  109    HD1  TRP  17           HD1      TRP  17  -1.924   6.940   4.538
  110    HE1  TRP  17           HE1      TRP  17   0.555   7.478   4.975
  111    HE3  TRP  17           HE3      TRP  17  -0.782   9.066   0.051
  112    HZ2  TRP  17           HZ2      TRP  17   2.739   8.591   3.559
  113    HZ3  TRP  17           HZ3      TRP  17   1.512   9.838  -0.340
  114    HH2  TRP  17           HH2      TRP  17   3.242   9.616   1.381
  115    H    GLU  18           H        GLU  18  -3.672   9.252  -0.133
  116    HA   GLU  18           HA       GLU  18  -6.351   8.224  -0.607
  117   1HB   GLU  18          2HB       GLU  18  -6.548  10.716  -0.727
  118   2HB   GLU  18          3HB       GLU  18  -5.351  10.711  -2.016
  119   1HG   GLU  18          2HG       GLU  18  -6.811   9.489  -3.460
  120   2HG   GLU  18          3HG       GLU  18  -7.978   9.254  -2.157
  121    H    LYS  19           H        LYS  19  -6.044   6.517  -1.856
  122    HA   LYS  19           HA       LYS  19  -3.779   6.564  -3.724
  123   1HB   LYS  19          2HB       LYS  19  -3.720   4.037  -3.445
  124   2HB   LYS  19          3HB       LYS  19  -3.086   5.012  -2.132
  125   1HG   LYS  19          2HG       LYS  19  -5.240   4.690  -0.932
  126   2HG   LYS  19          3HG       LYS  19  -5.736   3.588  -2.223
  127   1HD   LYS  19          2HD       LYS  19  -4.783   2.411  -0.253
  128   2HD   LYS  19          3HD       LYS  19  -3.882   2.113  -1.742
  129   1HE   LYS  19          2HE       LYS  19  -2.252   3.839  -1.067
  130   2HE   LYS  19          3HE       LYS  19  -3.138   4.064   0.439
  131   1HZ   LYS  19          1HZ       LYS  19  -1.512   2.620   1.083
  132   2HZ   LYS  19          2HZ       LYS  19  -1.445   1.816  -0.411
  133   3HZ   LYS  19          3HZ       LYS  19  -2.730   1.514   0.668
  134    H    LYS  20           H        LYS  20  -4.142   6.093  -5.777
  135    HA   LYS  20           HA       LYS  20  -6.761   4.976  -6.527
  136   1HB   LYS  20          2HB       LYS  20  -5.337   7.297  -7.841
  137   2HB   LYS  20          3HB       LYS  20  -6.751   6.494  -8.516
  138   1HG   LYS  20          2HG       LYS  20  -8.025   7.129  -6.506
  139   2HG   LYS  20          3HG       LYS  20  -6.611   8.000  -5.914
  140   1HD   LYS  20          2HD       LYS  20  -6.686   9.450  -7.886
  141   2HD   LYS  20          3HD       LYS  20  -8.106   8.576  -8.470
  142   1HE   LYS  20          2HE       LYS  20  -7.909  10.163  -5.909
  143   2HE   LYS  20          3HE       LYS  20  -8.758  10.652  -7.374
  144   1HZ   LYS  20          1HZ       LYS  20  -9.434   8.226  -5.792
  145   2HZ   LYS  20          2HZ       LYS  20 -10.311   8.873  -7.093
  146   3HZ   LYS  20          3HZ       LYS  20 -10.222   9.719  -5.626
  147    H    ILE  21           H        ILE  21  -6.547   3.188  -7.736
  148    HA   ILE  21           HA       ILE  21  -3.869   2.503  -8.669
  149    HB   ILE  21           HB       ILE  21  -4.784   0.846  -7.270
  150   1HG1  ILE  21          2HG1      ILE  21  -5.095  -1.140  -8.786
  151   2HG1  ILE  21          3HG1      ILE  21  -5.077  -0.028 -10.149
  152   1HG2  ILE  21          1HG2      ILE  21  -6.968  -0.228  -7.654
  153   2HG2  ILE  21          2HG2      ILE  21  -7.099   1.493  -7.304
  154   3HG2  ILE  21          3HG2      ILE  21  -7.275   0.916  -8.960
  155   1HD1  ILE  21          1HD1      ILE  21  -2.822  -0.301  -8.180
  156   2HD1  ILE  21          2HD1      ILE  21  -2.920  -1.182  -9.704
  157   3HD1  ILE  21          3HD1      ILE  21  -2.816   0.578  -9.709
  158    H    GLN  22           H        GLN  22  -3.286   2.675 -10.720
  159    HA   GLN  22           HA       GLN  22  -5.320   2.726 -12.816
  160   1HB   GLN  22          2HB       GLN  22  -3.621   4.501 -12.832
  161   2HB   GLN  22          3HB       GLN  22  -2.349   3.292 -12.923
  162   1HG   GLN  22          2HG       GLN  22  -2.742   4.294 -15.088
  163   2HG   GLN  22          3HG       GLN  22  -3.166   2.584 -15.107
  164   1HE2  GLN  22          1HE2      GLN  22  -4.118   5.599 -16.004
  165   2HE2  GLN  22          2HE2      GLN  22  -5.811   5.306 -16.246
  166    H    SER  23           H        SER  23  -5.312   1.279 -14.501
  167    HA   SER  23           HA       SER  23  -4.947  -1.355 -13.816
  168   1HB   SER  23          2HB       SER  23  -5.117  -0.283 -16.635
  169   2HB   SER  23          3HB       SER  23  -5.628  -1.874 -16.066
  170    HG   SER  23           HG       SER  23  -6.927  -0.315 -14.525
  171    H    ASP  24           H        ASP  24  -2.481   0.730 -14.774
  172    HA   ASP  24           HA       ASP  24  -0.820  -1.338 -15.983
  173   1HB   ASP  24          2HB       ASP  24   0.893   0.433 -16.066
  174   2HB   ASP  24          3HB       ASP  24  -0.570   0.860 -16.938
  175    H    ASN  25           H        ASN  25  -1.838  -0.958 -13.094
  176    HA   ASN  25           HA       ASN  25  -1.245  -1.860 -11.114
  177   1HB   ASN  25          2HB       ASN  25   1.406  -2.320 -12.475
  178   2HB   ASN  25          3HB       ASN  25   1.094  -2.783 -10.808
  179   1HD2  ASN  25          1HD2      ASN  25  -1.801  -3.163 -12.259
  180   2HD2  ASN  25          2HD2      ASN  25  -1.669  -4.813 -12.754
  181    H    ARG  26           H        ARG  26  -0.700   1.004 -12.029
  182    HA   ARG  26           HA       ARG  26   1.221   1.734  -9.917
  183   1HB   ARG  26          2HB       ARG  26   0.065   3.454 -12.119
  184   2HB   ARG  26          3HB       ARG  26   1.263   3.968 -10.942
  185   1HG   ARG  26          2HG       ARG  26   1.679   1.772 -12.965
  186   2HG   ARG  26          3HG       ARG  26   2.213   3.439 -13.160
  187   1HD   ARG  26          2HD       ARG  26   4.079   2.145 -12.423
  188   2HD   ARG  26          3HD       ARG  26   3.574   3.182 -11.091
  189    HE   ARG  26           HE       ARG  26   2.267   0.783 -10.715
  190   1HH1  ARG  26          2HH1      ARG  26   5.622   1.750 -11.020
  191   2HH1  ARG  26          1HH1      ARG  26   6.186   0.568  -9.872
  192   1HH2  ARG  26          2HH2      ARG  26   3.023  -0.759  -9.201
  193   2HH2  ARG  26          1HH2      ARG  26   4.724  -0.834  -8.845
  194    H    VAL  27           H        VAL  27   0.544   2.666  -8.048
  195    HA   VAL  27           HA       VAL  27  -2.240   3.558  -7.975
  196    HB   VAL  27           HB       VAL  27  -0.579   2.740  -5.596
  197   1HG1  VAL  27          1HG1      VAL  27  -3.457   3.527  -5.940
  198   2HG1  VAL  27          2HG1      VAL  27  -2.860   2.689  -4.507
  199   3HG1  VAL  27          3HG1      VAL  27  -2.229   4.282  -4.923
  200   1HG2  VAL  27          1HG2      VAL  27  -1.087   0.817  -7.083
  201   2HG2  VAL  27          2HG2      VAL  27  -1.817   0.694  -5.482
  202   3HG2  VAL  27          3HG2      VAL  27  -2.805   1.161  -6.868
  203    H    TYR  28           H        TYR  28  -2.458   5.765  -7.573
  204    HA   TYR  28           HA       TYR  28   0.094   7.119  -7.026
  205   1HB   TYR  28          2HB       TYR  28  -2.617   8.305  -7.700
  206   2HB   TYR  28          3HB       TYR  28  -1.128   9.215  -7.487
  207    HD1  TYR  28           HD1      TYR  28  -0.013   9.864  -9.413
  208    HD2  TYR  28           HD2      TYR  28  -2.399   6.342  -9.507
  209    HE1  TYR  28           HE1      TYR  28   0.470   9.612 -11.811
  210    HE2  TYR  28           HE2      TYR  28  -1.924   6.081 -11.902
  211    HH   TYR  28           HH       TYR  28  -0.351   8.566 -13.755
  212    H    PHE  29           H        PHE  29   0.386   8.214  -5.083
  213    HA   PHE  29           HA       PHE  29  -1.867   8.046  -3.227
  214   1HB   PHE  29          2HB       PHE  29  -0.198   7.685  -1.386
  215   2HB   PHE  29          3HB       PHE  29  -0.455   6.341  -2.480
  216    HD1  PHE  29           HD1      PHE  29   1.300   6.043  -4.353
  217    HD2  PHE  29           HD2      PHE  29   1.910   8.369  -0.863
  218    HE1  PHE  29           HE1      PHE  29   3.725   5.752  -4.576
  219    HE2  PHE  29           HE2      PHE  29   4.337   8.099  -1.087
  220    HZ   PHE  29           HZ       PHE  29   5.252   6.782  -2.951
  221    H    VAL  30           H        VAL  30  -2.305   9.673  -1.983
  222    HA   VAL  30           HA       VAL  30  -0.711  12.106  -2.353
  223    HB   VAL  30           HB       VAL  30  -3.732  11.935  -2.350
  224   1HG1  VAL  30          1HG1      VAL  30  -1.933  14.116  -1.924
  225   2HG1  VAL  30          2HG1      VAL  30  -2.807  14.369  -3.436
  226   3HG1  VAL  30          3HG1      VAL  30  -3.696  14.117  -1.935
  227   1HG2  VAL  30          1HG2      VAL  30  -2.651  10.990  -4.397
  228   2HG2  VAL  30          2HG2      VAL  30  -3.685  12.388  -4.697
  229   3HG2  VAL  30          3HG2      VAL  30  -1.932  12.577  -4.681
  230    H    ASN  31           H        ASN  31   0.144  12.423  -0.413
  231    HA   ASN  31           HA       ASN  31  -1.088  11.724   2.016
  232   1HB   ASN  31          2HB       ASN  31   1.376  12.001   1.658
  233   2HB   ASN  31          3HB       ASN  31   1.135  13.734   1.496
  234   1HD2  ASN  31          1HD2      ASN  31   1.993  11.331   3.556
  235   2HD2  ASN  31          2HD2      ASN  31   1.723  12.132   5.061
  236    H    HIS  32           H        HIS  32  -2.205  13.012   3.505
  237    HA   HIS  32           HA       HIS  32  -3.498  15.260   2.167
  238   1HB   HIS  32          2HB       HIS  32  -4.336  13.564   4.515
  239   2HB   HIS  32          3HB       HIS  32  -5.174  15.059   4.110
  240    HD1  HIS  32           HD1      HIS  32  -7.195  13.215   3.805
  241    HD2  HIS  32           HD2      HIS  32  -4.197  13.278   0.925
  242    HE1  HIS  32           HE1      HIS  32  -8.154  12.043   1.794
  243    HE2  HIS  32           HE2      HIS  32  -6.428  12.379  -0.009
  244    H    LYS  33           H        LYS  33  -1.190  14.791   4.592
  245    HA   LYS  33           HA       LYS  33  -1.749  17.133   6.143
  246   1HB   LYS  33          2HB       LYS  33   0.778  15.524   5.766
  247   2HB   LYS  33          3HB       LYS  33   0.663  16.903   6.851
  248   1HG   LYS  33          2HG       LYS  33  -1.027  15.777   8.160
  249   2HG   LYS  33          3HG       LYS  33  -1.026  14.417   7.037
  250   1HD   LYS  33          2HD       LYS  33   1.374  15.317   8.630
  251   2HD   LYS  33          3HD       LYS  33   0.287  14.011   9.110
  252   1HE   LYS  33          2HE       LYS  33   0.847  12.773   7.102
  253   2HE   LYS  33          3HE       LYS  33   1.862  14.099   6.540
  254   1HZ   LYS  33          1HZ       LYS  33   3.433  13.693   8.205
  255   2HZ   LYS  33          2HZ       LYS  33   3.009  12.152   7.644
  256   3HZ   LYS  33          3HZ       LYS  33   2.373  12.719   9.109
  257    H    ASN  34           H        ASN  34   0.529  16.419   3.518
  258    HA   ASN  34           HA       ASN  34   0.921  19.274   3.117
  259   1HB   ASN  34          2HB       ASN  34   2.299  16.901   1.827
  260   2HB   ASN  34          3HB       ASN  34   2.773  18.584   1.634
  261   1HD2  ASN  34          1HD2      ASN  34   3.700  15.887   3.044
  262   2HD2  ASN  34          2HD2      ASN  34   4.436  16.503   4.490
  263    H    ARG  35           H        ARG  35  -0.854  16.715   1.812
  264    HA   ARG  35           HA       ARG  35  -2.250  16.480   0.040
  265   1HB   ARG  35          2HB       ARG  35  -2.984  18.810   0.709
  266   2HB   ARG  35          3HB       ARG  35  -1.876  19.429  -0.506
  267   1HG   ARG  35          2HG       ARG  35  -3.109  18.286  -2.253
  268   2HG   ARG  35          3HG       ARG  35  -4.186  17.572  -1.050
  269   1HD   ARG  35          2HD       ARG  35  -5.268  19.479  -2.059
  270   2HD   ARG  35          3HD       ARG  35  -4.884  19.845  -0.377
  271    HE   ARG  35           HE       ARG  35  -2.888  20.701  -2.283
  272   1HH1  ARG  35          2HH1      ARG  35  -5.771  21.555  -0.477
  273   2HH1  ARG  35          1HH1      ARG  35  -5.544  23.272  -0.685
  274   1HH2  ARG  35          2HH2      ARG  35  -2.579  22.953  -2.550
  275   2HH2  ARG  35          1HH2      ARG  35  -3.728  24.063  -1.854
  276    H    THR  36           H        THR  36  -0.181  15.387  -0.493
  277    HA   THR  36           HA       THR  36   1.022  16.503  -2.949
  278    HB   THR  36           HB       THR  36   3.133  15.264  -1.954
  279    HG1  THR  36           HG1      THR  36   3.115  15.139   0.257
  280   1HG2  THR  36          1HG2      THR  36   3.652  17.434  -0.678
  281   2HG2  THR  36          2HG2      THR  36   2.058  17.973  -1.213
  282   3HG2  THR  36          3HG2      THR  36   3.297  17.564  -2.401
  283    H    THR  37           H        THR  37   1.312  15.125  -4.624
  284    HA   THR  37           HA       THR  37   0.347  12.395  -4.228
  285    HB   THR  37           HB       THR  37  -0.806  13.725  -5.916
  286    HG1  THR  37           HG1      THR  37  -0.838  12.124  -7.434
  287   1HG2  THR  37          1HG2      THR  37   0.248  15.049  -7.360
  288   2HG2  THR  37          2HG2      THR  37   1.189  13.695  -7.984
  289   3HG2  THR  37          3HG2      THR  37   1.772  14.604  -6.591
  290    H    GLN  38           H        GLN  38   1.341  10.608  -5.003
  291    HA   GLN  38           HA       GLN  38   4.041  10.742  -6.121
  292   1HB   GLN  38          2HB       GLN  38   3.364   9.415  -3.495
  293   2HB   GLN  38          3HB       GLN  38   4.813   9.032  -4.413
  294   1HG   GLN  38          2HG       GLN  38   5.460  11.431  -4.266
  295   2HG   GLN  38          3HG       GLN  38   4.084  11.686  -3.199
  296   1HE2  GLN  38          1HE2      GLN  38   7.308  10.768  -3.430
  297   2HE2  GLN  38          2HE2      GLN  38   7.538  10.234  -1.799
  298    H    TRP  39           H        TRP  39   4.770   8.496  -6.901
  299    HA   TRP  39           HA       TRP  39   2.412   7.074  -7.902
  300   1HB   TRP  39          2HB       TRP  39   4.149   6.061  -9.503
  301   2HB   TRP  39          3HB       TRP  39   3.689   7.740  -9.751
  302    HD1  TRP  39           HD1      TRP  39   6.568   5.772  -8.023
  303    HE1  TRP  39           HE1      TRP  39   8.730   7.155  -8.273
  304    HE3  TRP  39           HE3      TRP  39   4.622   9.874 -10.368
  305    HZ2  TRP  39           HZ2      TRP  39   9.495   9.668  -9.330
  306    HZ3  TRP  39           HZ3      TRP  39   6.130  11.722 -10.962
  307    HH2  TRP  39           HH2      TRP  39   8.515  11.620 -10.455
  308    H    GLU  40           H        GLU  40   2.403   4.765  -7.910
  309    HA   GLU  40           HA       GLU  40   2.898   2.634  -7.251
  310   1HB   GLU  40          2HB       GLU  40   5.172   3.845  -5.671
  311   2HB   GLU  40          3HB       GLU  40   4.801   2.127  -5.713
  312   1HG   GLU  40          2HG       GLU  40   5.203   2.082  -8.112
  313   2HG   GLU  40          3HG       GLU  40   5.541   3.812  -8.095
  314    H    ASP  41           H        ASP  41   4.053   3.215  -4.142
  315    HA   ASP  41           HA       ASP  41   1.551   3.859  -2.834
  316   1HB   ASP  41          2HB       ASP  41   1.306   1.445  -3.465
  317   2HB   ASP  41          3HB       ASP  41   2.782   1.088  -2.580
  318    HA   PRO  42           HA       PRO  42   4.484   5.536   0.014
  319   1HB   PRO  42          2HB       PRO  42   2.916   4.432   2.291
  320   2HB   PRO  42          3HB       PRO  42   3.415   6.097   1.968
  321   1HG   PRO  42          2HG       PRO  42   0.892   5.362   1.588
  322   2HG   PRO  42          3HG       PRO  42   1.688   6.457   0.440
  323   1HD   PRO  42          2HD       PRO  42   1.127   3.529   0.209
  324   2HD   PRO  42          3HD       PRO  42   0.983   4.800  -1.030
  325    H    ARG  43           H        ARG  43   5.724   4.805   2.300
  326    HA   ARG  43           HA       ARG  43   7.165   3.332   3.236
  327   1HB   ARG  43          2HB       ARG  43   5.891   1.277   1.418
  328   2HB   ARG  43          3HB       ARG  43   7.243   0.926   2.484
  329   1HG   ARG  43          2HG       ARG  43   5.966   1.025   4.373
  330   2HG   ARG  43          3HG       ARG  43   4.798   2.139   3.660
  331   1HD   ARG  43          2HD       ARG  43   5.039  -0.613   2.540
  332   2HD   ARG  43          3HD       ARG  43   4.189  -0.390   4.069
  333    HE   ARG  43           HE       ARG  43   3.298   0.423   1.433
  334   1HH1  ARG  43          2HH1      ARG  43   2.875   0.756   4.904
  335   2HH1  ARG  43          1HH1      ARG  43   1.321   1.532   4.762
  336   1HH2  ARG  43          2HH2      ARG  43   1.288   1.465   1.245
  337   2HH2  ARG  43          1HH2      ARG  43   0.427   1.941   2.688
  338    H    THR  44           H        THR  44   6.774   2.698  -0.242
  339    HA   THR  44           HA       THR  44   9.622   3.069  -0.715
  340    HB   THR  44           HB       THR  44   7.461   2.748  -2.806
  341    HG1  THR  44           HG1      THR  44   7.875   0.535  -2.698
  342   1HG2  THR  44          1HG2      THR  44  10.454   2.345  -2.799
  343   2HG2  THR  44          2HG2      THR  44   9.528   3.513  -3.742
  344   3HG2  THR  44          3HG2      THR  44   9.398   1.791  -4.098
  345    H    GLN  45           H        GLN  45   8.941   5.210   0.446
  346    HA   GLN  45           HA       GLN  45   7.658   7.252  -0.962
  347   1HB   GLN  45          2HB       GLN  45   8.907   8.774   0.657
  348   2HB   GLN  45          3HB       GLN  45   7.880   7.536   1.370
  349   1HG   GLN  45          2HG       GLN  45   9.859   6.122   1.722
  350   2HG   GLN  45          3HG       GLN  45  10.870   7.391   1.043
  351   1HE2  GLN  45          1HE2      GLN  45   8.626   9.094   2.581
  352   2HE2  GLN  45          2HE2      GLN  45   9.345   9.230   4.151
  353    H    GLY  46           H        GLY  46  10.756   5.992  -1.257
  354   1HA   GLY  46          1HA       GLY  46  11.639   6.868  -3.586
  355   2HA   GLY  46          2HA       GLY  46  11.866   8.323  -2.617
  356    H    GLN  47           H        GLN  47  12.514   7.180  -0.244
  357    HA   GLN  47           HA       GLN  47  15.253   6.848  -0.312
  358   1HB   GLN  47          2HB       GLN  47  13.300   5.763   1.720
  359   2HB   GLN  47          3HB       GLN  47  15.040   5.827   1.959
  360   1HG   GLN  47          2HG       GLN  47  13.256   8.207   1.500
  361   2HG   GLN  47          3HG       GLN  47  13.863   7.668   3.064
  362   1HE2  GLN  47          1HE2      GLN  47  15.516   8.795   3.760
  363   2HE2  GLN  47          2HE2      GLN  47  16.743   9.526   2.784
  364    H    GLU  48           H        GLU  48  12.758   4.354  -0.357
  365    HA   GLU  48           HA       GLU  48  12.714   2.233  -1.134
  366   1HB   GLU  48          2HB       GLU  48  14.019   2.994  -3.061
  367   2HB   GLU  48          3HB       GLU  48  15.509   2.794  -2.147
  368   1HG   GLU  48          2HG       GLU  48  15.098   0.396  -1.997
  369   2HG   GLU  48          3HG       GLU  48  13.600   0.593  -2.906
  370    H    VAL  49           H        VAL  49  12.568   0.969   0.480
  371    HA   VAL  49           HA       VAL  49  13.177  -0.640   2.039
  372    HB   VAL  49           HB       VAL  49  16.028   0.385   1.868
  373   1HG1  VAL  49          1HG1      VAL  49  16.536  -1.808   2.979
  374   2HG1  VAL  49          2HG1      VAL  49  15.656  -0.655   3.982
  375   3HG1  VAL  49          3HG1      VAL  49  14.802  -2.004   3.236
  376   1HG2  VAL  49          1HG2      VAL  49  14.930  -0.833  -0.187
  377   2HG2  VAL  49          2HG2      VAL  49  16.562  -1.246   0.339
  378   3HG2  VAL  49          3HG2      VAL  49  15.202  -2.272   0.794
  379    H    SER  50           H        SER  50  15.659   1.134   3.525
  380    HA   SER  50           HA       SER  50  15.734   2.540   5.292
  381   1HB   SER  50          2HB       SER  50  14.860   4.156   3.645
  382   2HB   SER  50          3HB       SER  50  13.214   3.710   4.086
  383    HG   SER  50           HG       SER  50  15.141   4.780   5.885
  384    H    LEU  51           H        LEU  51  12.183   2.473   5.125
  385    HA   LEU  51           HA       LEU  51  11.972   1.728   7.879
  386   1HB   LEU  51          2HB       LEU  51   9.524   1.519   7.361
  387   2HB   LEU  51          3HB       LEU  51  10.232   3.090   7.061
  388    HG   LEU  51           HG       LEU  51  10.416   2.201   4.585
  389   1HD1  LEU  51          1HD1      LEU  51   9.686  -0.059   4.991
  390   2HD1  LEU  51          2HD1      LEU  51   8.201   0.519   5.743
  391   3HD1  LEU  51          3HD1      LEU  51   8.476   0.778   4.022
  392   1HD2  LEU  51          1HD2      LEU  51   7.746   2.847   4.640
  393   2HD2  LEU  51          2HD2      LEU  51   8.367   3.584   6.117
  394   3HD2  LEU  51          3HD2      LEU  51   9.087   3.989   4.557
  395    H    ILE  52           H        ILE  52  11.965   0.075   4.826
  396    HA   ILE  52           HA       ILE  52  10.931  -2.408   5.547
  397    HB   ILE  52           HB       ILE  52  13.242  -1.920   3.652
  398   1HG1  ILE  52          2HG1      ILE  52  10.247  -1.827   3.261
  399   2HG1  ILE  52          3HG1      ILE  52  11.436  -0.581   2.875
  400   1HG2  ILE  52          1HG2      ILE  52  11.632  -4.092   2.836
  401   2HG2  ILE  52          2HG2      ILE  52  13.312  -4.115   3.372
  402   3HG2  ILE  52          3HG2      ILE  52  12.012  -4.327   4.541
  403   1HD1  ILE  52          1HD1      ILE  52  10.875  -1.435   0.811
  404   2HD1  ILE  52          2HD1      ILE  52  12.357  -2.308   1.197
  405   3HD1  ILE  52          3HD1      ILE  52  10.791  -3.095   1.396
  406    H    ASN  53           H        ASN  53  14.148  -1.158   5.770
  407    HA   ASN  53           HA       ASN  53  16.103  -1.938   6.781
  408   1HB   ASN  53          2HB       ASN  53  14.614  -0.510   8.278
  409   2HB   ASN  53          3HB       ASN  53  14.191  -2.007   9.100
  410   1HD2  ASN  53          1HD2      ASN  53  15.249  -2.191  10.935
  411   2HD2  ASN  53          2HD2      ASN  53  16.896  -1.730  11.216
  412    H    GLU  54           H        GLU  54  15.558  -4.179   5.582
  413    HA   GLU  54           HA       GLU  54  15.706  -6.461   5.642
  414   1HB   GLU  54          2HB       GLU  54  17.192  -5.913   8.221
  415   2HB   GLU  54          3HB       GLU  54  17.287  -7.386   7.265
  416   1HG   GLU  54          2HG       GLU  54  18.264  -4.646   6.521
  417   2HG   GLU  54          3HG       GLU  54  19.227  -6.094   6.812
  418    H    GLY  55           H        GLY  55  13.296  -5.717   6.406
  419   1HA   GLY  55          1HA       GLY  55  12.667  -7.473   8.700
  420   2HA   GLY  55          2HA       GLY  55  11.981  -5.861   8.569
  421    HA   PRO  56           HA       PRO  56   8.676  -8.471   6.929
  422   1HB   PRO  56          2HB       PRO  56   6.737  -6.569   7.094
  423   2HB   PRO  56          3HB       PRO  56   7.278  -7.531   8.475
  424   1HG   PRO  56          2HG       PRO  56   8.070  -4.756   7.672
  425   2HG   PRO  56          3HG       PRO  56   7.658  -5.377   9.281
  426   1HD   PRO  56          2HD       PRO  56  10.207  -5.016   8.512
  427   2HD   PRO  56          3HD       PRO  56   9.733  -6.362   9.570
  428    H    LEU  57           H        LEU  57  10.499  -6.675   5.267
  429    HA   LEU  57           HA       LEU  57  10.568  -5.649   3.203
  430   1HB   LEU  57          2HB       LEU  57   9.431  -8.366   3.102
  431   2HB   LEU  57          3HB       LEU  57   9.491  -7.468   1.596
  432    HG   LEU  57           HG       LEU  57  11.839  -8.158   3.368
  433   1HD1  LEU  57          1HD1      LEU  57  10.960 -10.061   2.115
  434   2HD1  LEU  57          2HD1      LEU  57  11.072  -9.133   0.620
  435   3HD1  LEU  57          3HD1      LEU  57  12.537  -9.562   1.503
  436   1HD2  LEU  57          1HD2      LEU  57  12.027  -6.938   0.644
  437   2HD2  LEU  57          2HD2      LEU  57  11.850  -5.923   2.075
  438   3HD2  LEU  57          3HD2      LEU  57  13.237  -7.000   1.924
  439    HA   PRO  58           HA       PRO  58   6.233  -4.205   2.582
  440   1HB   PRO  58          2HB       PRO  58   6.222  -1.932   4.070
  441   2HB   PRO  58          3HB       PRO  58   5.841  -3.523   4.732
  442   1HG   PRO  58          2HG       PRO  58   8.156  -1.843   5.237
  443   2HG   PRO  58          3HG       PRO  58   7.653  -3.320   6.071
  444   1HD   PRO  58          2HD       PRO  58   9.654  -2.971   3.954
  445   2HD   PRO  58          3HD       PRO  58   9.410  -4.342   5.054
  446    HA   PRO  59           HA       PRO  59   8.278  -1.081  -0.119
  447   1HB   PRO  59          2HB       PRO  59   8.343  -2.421  -2.453
  448   2HB   PRO  59          3HB       PRO  59   9.565  -2.669  -1.202
  449   1HG   PRO  59          2HG       PRO  59   7.417  -4.462  -2.080
  450   2HG   PRO  59          3HG       PRO  59   8.878  -4.833  -1.155
  451   1HD   PRO  59          2HD       PRO  59   6.174  -4.370  -0.186
  452   2HD   PRO  59          3HD       PRO  59   7.594  -4.950   0.705
  453    H    GLY  60           H        GLY  60   5.870  -0.531   0.572
  454   1HA   GLY  60          1HA       GLY  60   3.972   0.550  -0.211
  455   2HA   GLY  60          2HA       GLY  60   4.485   0.186  -1.853
  456    H    TRP  61           H        TRP  61   3.829  -1.921   0.892
  457    HA   TRP  61           HA       TRP  61   1.626  -3.039  -0.643
  458   1HB   TRP  61          2HB       TRP  61   2.067  -5.255  -0.192
  459   2HB   TRP  61          3HB       TRP  61   3.660  -4.598  -0.526
  460    HD1  TRP  61           HD1      TRP  61   5.405  -4.631   1.400
  461    HE1  TRP  61           HE1      TRP  61   5.480  -5.887   3.671
  462    HE3  TRP  61           HE3      TRP  61   0.525  -5.961   1.692
  463    HZ2  TRP  61           HZ2      TRP  61   3.632  -7.153   5.410
  464    HZ3  TRP  61           HZ3      TRP  61  -0.264  -7.190   3.672
  465    HH2  TRP  61           HH2      TRP  61   1.256  -7.784   5.487
  466    H    GLU  62           H        GLU  62  -0.104  -3.884   0.505
  467    HA   GLU  62           HA       GLU  62  -0.476  -2.436   3.045
  468   1HB   GLU  62          2HB       GLU  62  -1.423  -1.425   0.936
  469   2HB   GLU  62          3HB       GLU  62  -2.472  -2.827   0.812
  470   1HG   GLU  62          2HG       GLU  62  -3.689  -2.232   2.708
  471   2HG   GLU  62          3HG       GLU  62  -2.452  -1.100   3.255
  472    H    ILE  63           H        ILE  63  -2.151  -3.244   4.432
  473    HA   ILE  63           HA       ILE  63  -2.466  -6.155   4.223
  474    HB   ILE  63           HB       ILE  63  -3.412  -5.942   6.572
  475   1HG1  ILE  63          2HG1      ILE  63  -2.154  -3.191   6.369
  476   2HG1  ILE  63          3HG1      ILE  63  -3.879  -3.515   6.489
  477   1HG2  ILE  63          1HG2      ILE  63  -1.394  -6.737   7.037
  478   2HG2  ILE  63          2HG2      ILE  63  -0.714  -5.923   5.629
  479   3HG2  ILE  63          3HG2      ILE  63  -0.798  -5.084   7.176
  480   1HD1  ILE  63          1HD1      ILE  63  -2.182  -2.990   8.572
  481   2HD1  ILE  63          2HD1      ILE  63  -3.783  -3.718   8.699
  482   3HD1  ILE  63          3HD1      ILE  63  -2.351  -4.744   8.631
  483    H    ARG  64           H        ARG  64  -4.294  -6.891   3.387
  484    HA   ARG  64           HA       ARG  64  -6.602  -5.082   3.214
  485   1HB   ARG  64          2HB       ARG  64  -5.719  -6.392   1.205
  486   2HB   ARG  64          3HB       ARG  64  -6.373  -7.829   1.983
  487   1HG   ARG  64          2HG       ARG  64  -8.026  -7.160   0.476
  488   2HG   ARG  64          3HG       ARG  64  -8.593  -6.585   2.047
  489   1HD   ARG  64          2HD       ARG  64  -7.543  -4.371   1.500
  490   2HD   ARG  64          3HD       ARG  64  -7.262  -4.981  -0.129
  491    HE   ARG  64           HE       ARG  64  -9.656  -3.895   0.862
  492   1HH1  ARG  64          2HH1      ARG  64  -8.591  -6.599  -1.146
  493   2HH1  ARG  64          1HH1      ARG  64 -10.062  -6.626  -2.067
  494   1HH2  ARG  64          2HH2      ARG  64 -11.561  -3.956  -0.365
  495   2HH2  ARG  64          1HH2      ARG  64 -11.742  -5.156  -1.620
  496    H    TYR  65           H        TYR  65  -8.188  -5.228   4.676
  497    HA   TYR  65           HA       TYR  65  -8.283  -7.408   6.556
  498   1HB   TYR  65          2HB       TYR  65 -10.065  -5.017   6.083
  499   2HB   TYR  65          3HB       TYR  65 -10.427  -6.243   7.291
  500    HD1  TYR  65           HD1      TYR  65  -7.469  -4.160   6.275
  501    HD2  TYR  65           HD2      TYR  65  -9.838  -5.731   9.442
  502    HE1  TYR  65           HE1      TYR  65  -6.058  -2.980   7.911
  503    HE2  TYR  65           HE2      TYR  65  -8.436  -4.556  11.082
  504    HH   TYR  65           HH       TYR  65  -6.715  -2.133  10.629
  505    H    THR  66           H        THR  66  -9.073  -9.324   6.043
  506    HA   THR  66           HA       THR  66 -11.297  -9.459   4.107
  507    HB   THR  66           HB       THR  66  -9.519 -11.737   4.996
  508    HG1  THR  66           HG1      THR  66  -8.591  -9.858   3.712
  509   1HG2  THR  66          1HG2      THR  66 -10.431 -12.901   3.069
  510   2HG2  THR  66          2HG2      THR  66 -11.372 -11.477   2.623
  511   3HG2  THR  66          3HG2      THR  66 -11.751 -12.354   4.103
  512    H    ALA  67           H        ALA  67 -13.212 -10.193   4.777
  513    HA   ALA  67           HA       ALA  67 -14.243  -9.818   7.083
  514   1HB   ALA  67          1HB       ALA  67 -15.357 -10.736   4.990
  515   2HB   ALA  67          2HB       ALA  67 -15.156 -12.324   5.732
  516   3HB   ALA  67          3HB       ALA  67 -16.113 -11.086   6.545
  517    H    ALA  68           H        ALA  68 -12.381 -12.761   6.596
  518    HA   ALA  68           HA       ALA  68 -13.219 -14.074   8.975
  519   1HB   ALA  68          1HB       ALA  68 -11.204 -14.489   6.900
  520   2HB   ALA  68          2HB       ALA  68 -10.717 -15.064   8.495
  521   3HB   ALA  68          3HB       ALA  68 -12.207 -15.658   7.759
  522    H    GLY  69           H        GLY  69 -11.569 -11.239   8.646
  523   1HA   GLY  69          1HA       GLY  69 -10.730  -9.934  10.379
  524   2HA   GLY  69          2HA       GLY  69 -10.569 -11.379  11.369
  525    H    GLU  70           H        GLU  70  -9.318 -11.767   8.253
  526    HA   GLU  70           HA       GLU  70  -6.607 -11.628   9.324
  527   1HB   GLU  70          2HB       GLU  70  -7.944 -13.160   7.149
  528   2HB   GLU  70          3HB       GLU  70  -6.239 -12.792   6.958
  529   1HG   GLU  70          2HG       GLU  70  -6.362 -14.944   7.896
  530   2HG   GLU  70          3HG       GLU  70  -5.856 -13.865   9.190
  531    H    ARG  71           H        ARG  71  -5.072 -10.295   8.515
  532    HA   ARG  71           HA       ARG  71  -5.931  -8.390   6.458
  533   1HB   ARG  71          2HB       ARG  71  -3.731  -8.373   8.496
  534   2HB   ARG  71          3HB       ARG  71  -3.653  -7.317   7.093
  535   1HG   ARG  71          2HG       ARG  71  -4.967  -5.857   8.108
  536   2HG   ARG  71          3HG       ARG  71  -6.241  -7.073   8.233
  537   1HD   ARG  71          2HD       ARG  71  -3.957  -6.825  10.180
  538   2HD   ARG  71          3HD       ARG  71  -5.529  -6.060  10.407
  539    HE   ARG  71           HE       ARG  71  -6.098  -8.698   9.976
  540   1HH1  ARG  71          2HH1      ARG  71  -4.070  -6.954  12.215
  541   2HH1  ARG  71          1HH1      ARG  71  -4.351  -8.052  13.533
  542   1HH2  ARG  71          2HH2      ARG  71  -6.469 -10.167  11.691
  543   2HH2  ARG  71          1HH2      ARG  71  -5.682  -9.908  13.224
  544    H    PHE  72           H        PHE  72  -5.755  -9.498   4.590
  545    HA   PHE  72           HA       PHE  72  -3.567 -11.153   3.885
  546   1HB   PHE  72          2HB       PHE  72  -5.696  -9.797   2.222
  547   2HB   PHE  72          3HB       PHE  72  -4.489 -10.879   1.539
  548    HD1  PHE  72           HD1      PHE  72  -5.939 -11.483   4.850
  549    HD2  PHE  72           HD2      PHE  72  -6.140 -12.419   0.704
  550    HE1  PHE  72           HE1      PHE  72  -7.412 -13.382   5.354
  551    HE2  PHE  72           HE2      PHE  72  -7.613 -14.325   1.207
  552    HZ   PHE  72           HZ       PHE  72  -8.255 -14.798   3.535
  553    H    PHE  73           H        PHE  73  -2.157 -10.698   1.991
  554    HA   PHE  73           HA       PHE  73  -0.897  -8.107   2.434
  555   1HB   PHE  73          2HB       PHE  73   0.772  -9.629   2.601
  556   2HB   PHE  73          3HB       PHE  73  -0.095 -10.837   1.667
  557    HD1  PHE  73           HD1      PHE  73   1.648  -7.591   1.163
  558    HD2  PHE  73           HD2      PHE  73   0.829 -11.477  -0.327
  559    HE1  PHE  73           HE1      PHE  73   3.106  -7.148  -0.763
  560    HE2  PHE  73           HE2      PHE  73   2.284 -11.048  -2.264
  561    HZ   PHE  73           HZ       PHE  73   3.621  -9.037  -2.355
  562    H    VAL  74           H        VAL  74  -0.965  -6.491   0.952
  563    HA   VAL  74           HA       VAL  74  -1.611  -7.214  -1.826
  564    HB   VAL  74           HB       VAL  74  -2.532  -4.694  -0.418
  565   1HG1  VAL  74          1HG1      VAL  74  -3.418  -3.967  -2.393
  566   2HG1  VAL  74          2HG1      VAL  74  -2.025  -4.857  -3.009
  567   3HG1  VAL  74          3HG1      VAL  74  -3.625  -5.599  -3.028
  568   1HG2  VAL  74          1HG2      VAL  74  -4.511  -6.617  -1.451
  569   2HG2  VAL  74          2HG2      VAL  74  -3.627  -7.115  -0.007
  570   3HG2  VAL  74          3HG2      VAL  74  -4.550  -5.612  -0.002
  571    H    ASP  75           H        ASP  75   0.290  -7.050  -2.681
  572    HA   ASP  75           HA       ASP  75   2.111  -4.811  -2.276
  573   1HB   ASP  75          2HB       ASP  75   3.232  -6.872  -2.564
  574   2HB   ASP  75          3HB       ASP  75   2.194  -7.352  -3.896
  575    H    HIS  76           H        HIS  76   2.097  -2.960  -3.557
  576    HA   HIS  76           HA       HIS  76   0.275  -3.038  -5.838
  577   1HB   HIS  76          2HB       HIS  76   1.494  -0.635  -4.461
  578   2HB   HIS  76          3HB       HIS  76   0.236  -0.599  -5.689
  579    HD1  HIS  76           HD1      HIS  76   0.795  -1.576  -2.083
  580    HD2  HIS  76           HD2      HIS  76  -2.331  -0.897  -4.742
  581    HE1  HIS  76           HE1      HIS  76  -1.303  -1.631  -0.698
  582    HE2  HIS  76           HE2      HIS  76  -3.192  -1.259  -2.328
  583    H    ASN  77           H        ASN  77   3.007  -4.078  -5.911
  584    HA   ASN  77           HA       ASN  77   4.236  -2.260  -7.873
  585   1HB   ASN  77          2HB       ASN  77   5.424  -4.682  -6.496
  586   2HB   ASN  77          3HB       ASN  77   6.279  -3.560  -7.555
  587   1HD2  ASN  77          1HD2      ASN  77   5.534  -4.317  -4.404
  588   2HD2  ASN  77          2HD2      ASN  77   5.951  -2.801  -3.664
  589    H    THR  78           H        THR  78   3.380  -5.633  -7.274
  590    HA   THR  78           HA       THR  78   3.238  -6.045 -10.189
  591    HB   THR  78           HB       THR  78   4.795  -7.527  -8.851
  592    HG1  THR  78           HG1      THR  78   3.565  -8.087 -10.914
  593   1HG2  THR  78          1HG2      THR  78   4.084  -8.593  -7.037
  594   2HG2  THR  78          2HG2      THR  78   2.824  -9.400  -7.973
  595   3HG2  THR  78          3HG2      THR  78   2.504  -7.833  -7.230
  596    H    ARG  79           H        ARG  79   1.377  -5.190  -7.700
  597    HA   ARG  79           HA       ARG  79  -0.848  -5.148  -7.259
  598   1HB   ARG  79          2HB       ARG  79  -0.691  -4.708  -9.845
  599   2HB   ARG  79          3HB       ARG  79  -1.415  -6.301  -9.967
  600   1HG   ARG  79          2HG       ARG  79  -2.655  -4.129  -8.311
  601   2HG   ARG  79          3HG       ARG  79  -2.959  -4.275 -10.041
  602   1HD   ARG  79          2HD       ARG  79  -3.554  -6.326  -7.914
  603   2HD   ARG  79          3HD       ARG  79  -4.726  -5.363  -8.811
  604    HE   ARG  79           HE       ARG  79  -3.609  -7.821  -9.612
  605   1HH1  ARG  79          2HH1      ARG  79  -4.536  -4.707 -10.954
  606   2HH1  ARG  79          1HH1      ARG  79  -4.724  -5.323 -12.570
  607   1HH2  ARG  79          2HH2      ARG  79  -3.891  -8.627 -11.726
  608   2HH2  ARG  79          1HH2      ARG  79  -4.338  -7.539 -13.009
  609    H    ARG  80           H        ARG  80   0.032  -7.090  -5.924
  610    HA   ARG  80           HA       ARG  80  -1.566  -9.466  -6.631
  611   1HB   ARG  80          2HB       ARG  80   0.877  -9.677  -7.107
  612   2HB   ARG  80          3HB       ARG  80   1.190  -9.441  -5.396
  613   1HG   ARG  80          2HG       ARG  80   1.297 -11.777  -5.897
  614   2HG   ARG  80          3HG       ARG  80  -0.138 -11.472  -4.915
  615   1HD   ARG  80          2HD       ARG  80  -0.517 -13.026  -6.831
  616   2HD   ARG  80          3HD       ARG  80  -1.562 -11.604  -6.832
  617    HE   ARG  80           HE       ARG  80  -0.631 -10.972  -8.814
  618   1HH1  ARG  80          2HH1      ARG  80   1.462 -13.389  -7.368
  619   2HH1  ARG  80          1HH1      ARG  80   2.627 -13.320  -8.656
  620   1HH2  ARG  80          2HH2      ARG  80   0.890 -10.864 -10.471
  621   2HH2  ARG  80          1HH2      ARG  80   2.306 -11.880 -10.434
  622    H    THR  81           H        THR  81  -2.878 -10.201  -5.110
  623    HA   THR  81           HA       THR  81  -2.371  -9.416  -2.320
  624    HB   THR  81           HB       THR  81  -4.649  -8.896  -3.172
  625    HG1  THR  81           HG1      THR  81  -4.188  -9.497  -0.923
  626   1HG2  THR  81          1HG2      THR  81  -5.712 -11.571  -3.046
  627   2HG2  THR  81          2HG2      THR  81  -4.488 -11.451  -4.309
  628   3HG2  THR  81          3HG2      THR  81  -5.874 -10.362  -4.318
  629    H    THR  82           H        THR  82  -2.261 -11.025  -0.728
  630    HA   THR  82           HA       THR  82  -2.254 -13.838  -1.443
  631    HB   THR  82           HB       THR  82   0.345 -12.606  -0.502
  632    HG1  THR  82           HG1      THR  82  -0.730 -12.717  -3.034
  633   1HG2  THR  82          1HG2      THR  82  -0.540 -15.237  -0.562
  634   2HG2  THR  82          2HG2      THR  82   1.132 -14.697  -0.416
  635   3HG2  THR  82          3HG2      THR  82   0.466 -15.085  -2.001
  636    H    PHE  83           H        PHE  83  -2.022 -15.203   0.433
  637    HA   PHE  83           HA       PHE  83  -3.000 -14.019   2.858
  638   1HB   PHE  83          2HB       PHE  83  -1.983 -16.815   2.262
  639   2HB   PHE  83          3HB       PHE  83  -2.666 -16.329   3.805
  640    HD1  PHE  83           HD1      PHE  83  -3.591 -16.249   0.171
  641    HD2  PHE  83           HD2      PHE  83  -4.850 -16.839   4.192
  642    HE1  PHE  83           HE1      PHE  83  -5.834 -16.841  -0.625
  643    HE2  PHE  83           HE2      PHE  83  -7.099 -17.438   3.400
  644    HZ   PHE  83           HZ       PHE  83  -7.591 -17.444   0.988
  645    H    GLU  84           H        GLU  84   0.000 -15.726   1.993
  646    HA   GLU  84           HA       GLU  84   1.384 -14.391   4.217
  647   1HB   GLU  84          2HB       GLU  84   3.181 -16.093   3.773
  648   2HB   GLU  84          3HB       GLU  84   1.649 -16.775   4.303
  649   1HG   GLU  84          2HG       GLU  84   1.093 -17.366   2.021
  650   2HG   GLU  84          3HG       GLU  84   2.588 -16.627   1.450
  651    H    ASP  85           H        ASP  85   3.946 -15.080   2.761
  652    HA   ASP  85           HA       ASP  85   5.229 -14.493   0.978
  653   1HB   ASP  85          2HB       ASP  85   3.166 -13.711  -0.316
  654   2HB   ASP  85          3HB       ASP  85   3.535 -12.106   0.306
  655    HA   PRO  86           HA       PRO  86   6.484 -10.136   2.750
  656   1HB   PRO  86          2HB       PRO  86   4.452  -9.784   4.880
  657   2HB   PRO  86          3HB       PRO  86   5.179  -8.583   3.805
  658   1HG   PRO  86          2HG       PRO  86   2.669  -9.393   3.447
  659   2HG   PRO  86          3HG       PRO  86   3.734  -9.077   2.063
  660   1HD   PRO  86          2HD       PRO  86   2.928 -11.694   3.277
  661   2HD   PRO  86          3HD       PRO  86   3.108 -11.254   1.567
  662    H    ARG  87           H        ARG  87   8.077 -10.227   4.206
  663    HA   ARG  87           HA       ARG  87   8.498 -12.566   5.678
  664   1HB   ARG  87          2HB       ARG  87  10.218 -10.897   4.760
  665   2HB   ARG  87          3HB       ARG  87   9.914  -9.960   6.216
  666   1HG   ARG  87          2HG       ARG  87  10.505 -12.051   7.518
  667   2HG   ARG  87          3HG       ARG  87  11.096 -12.710   5.992
  668   1HD   ARG  87          2HD       ARG  87  12.075 -10.260   7.441
  669   2HD   ARG  87          3HD       ARG  87  12.950 -11.764   7.165
  670    HE   ARG  87           HE       ARG  87  12.267 -10.731   4.671
  671   1HH1  ARG  87          2HH1      ARG  87  14.348  -9.991   7.378
  672   2HH1  ARG  87          1HH1      ARG  87  15.448  -9.031   6.438
  673   1HH2  ARG  87          2HH2      ARG  87  13.632  -9.373   3.455
  674   2HH2  ARG  87          1HH2      ARG  87  14.992  -8.606   4.210
  675    HA   PRO  88           HA       PRO  88   6.181 -11.727   9.385
  676   1HB   PRO  88          2HB       PRO  88   7.953 -13.715  10.645
  677   2HB   PRO  88          3HB       PRO  88   6.201 -13.750  10.435
  678   1HG   PRO  88          2HG       PRO  88   7.823 -15.351   9.020
  679   2HG   PRO  88          3HG       PRO  88   6.339 -14.672   8.322
  680   1HD   PRO  88          2HD       PRO  88   9.183 -13.805   7.951
  681   2HD   PRO  88          3HD       PRO  88   7.875 -13.918   6.755
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -28.365   8.685   2.779
    2   2H    GLY   1          2H        GLY   1 -28.209   7.358   1.735
    3   3H    GLY   1          3H        GLY   1 -26.878   8.365   2.043
    4   1HA   GLY   1          2HA       GLY   1 -27.819   7.457   4.505
    5   2HA   GLY   1          1HA       GLY   1 -27.682   6.067   3.436
    6    H    SER   2           H        SER   2 -25.899   5.130   4.344
    7    HA   SER   2           HA       SER   2 -23.483   6.687   4.777
    8   1HB   SER   2          2HB       SER   2 -23.987   3.709   5.027
    9   2HB   SER   2          3HB       SER   2 -22.527   4.551   5.548
   10    HG   SER   2           HG       SER   2 -24.823   5.649   6.564
   11    HA   PRO   3           HA       PRO   3 -22.025   5.960   0.641
   12   1HB   PRO   3          2HB       PRO   3 -19.383   6.762   1.578
   13   2HB   PRO   3          3HB       PRO   3 -20.481   7.615   0.493
   14   1HG   PRO   3          2HG       PRO   3 -19.922   8.487   2.999
   15   2HG   PRO   3          3HG       PRO   3 -21.478   8.777   2.203
   16   1HD   PRO   3          2HD       PRO   3 -20.754   6.719   4.257
   17   2HD   PRO   3          3HD       PRO   3 -22.219   7.716   4.129
   18    H    GLU   4           H        GLU   4 -22.293   3.609   1.797
   19    HA   GLU   4           HA       GLU   4 -19.883   2.303   2.496
   20   1HB   GLU   4          2HB       GLU   4 -22.387   1.785   3.097
   21   2HB   GLU   4          3HB       GLU   4 -22.319   0.790   1.648
   22   1HG   GLU   4          2HG       GLU   4 -21.861  -0.500   3.665
   23   2HG   GLU   4          3HG       GLU   4 -20.479  -0.482   2.568
   24    H    PHE   5           H        PHE   5 -19.229   3.341   0.149
   25    HA   PHE   5           HA       PHE   5 -19.595   1.662  -2.108
   26   1HB   PHE   5          2HB       PHE   5 -17.370   2.795  -2.862
   27   2HB   PHE   5          3HB       PHE   5 -18.835   3.754  -2.726
   28    HD1  PHE   5           HD1      PHE   5 -18.514   5.861  -1.850
   29    HD2  PHE   5           HD2      PHE   5 -16.078   2.663  -0.463
   30    HE1  PHE   5           HE1      PHE   5 -17.335   7.414  -0.354
   31    HE2  PHE   5           HE2      PHE   5 -14.892   4.210   1.035
   32    HZ   PHE   5           HZ       PHE   5 -15.550   6.653   1.047
   33    H    HIS   6           H        HIS   6 -17.263   1.700   0.487
   34    HA   HIS   6           HA       HIS   6 -16.637  -1.088   0.102
   35   1HB   HIS   6          2HB       HIS   6 -15.099   0.073  -1.496
   36   2HB   HIS   6          3HB       HIS   6 -14.456   1.009  -0.156
   37    HD1  HIS   6           HD1      HIS   6 -14.819  -2.685  -1.041
   38    HD2  HIS   6           HD2      HIS   6 -12.192  -0.055   0.823
   39    HE1  HIS   6           HE1      HIS   6 -12.809  -4.063  -0.417
   40    HE2  HIS   6           HE2      HIS   6 -11.159  -2.412   0.538
   41    H    MET   7           H        MET   7 -16.316  -1.955   2.081
   42    HA   MET   7           HA       MET   7 -17.059  -0.774   4.346
   43   1HB   MET   7          2HB       MET   7 -15.030  -2.970   4.026
   44   2HB   MET   7          3HB       MET   7 -15.626  -2.473   5.603
   45   1HG   MET   7          2HG       MET   7 -17.905  -3.020   4.915
   46   2HG   MET   7          3HG       MET   7 -17.304  -3.523   3.335
   47   1HE   MET   7          1HE       MET   7 -15.915  -5.627   7.195
   48   2HE   MET   7          2HE       MET   7 -15.611  -3.946   6.762
   49   3HE   MET   7          3HE       MET   7 -17.223  -4.447   7.274
   50    H    ASP   8           H        ASP   8 -13.642  -1.047   3.477
   51    HA   ASP   8           HA       ASP   8 -12.440   0.071   5.605
   52   1HB   ASP   8          2HB       ASP   8 -11.699   0.473   2.706
   53   2HB   ASP   8          3HB       ASP   8 -10.658   0.935   4.048
   54    H    ALA   9           H        ALA   9 -13.987   1.854   3.007
   55    HA   ALA   9           HA       ALA   9 -14.875   3.953   2.904
   56   1HB   ALA   9          1HB       ALA   9 -15.646   4.741   4.821
   57   2HB   ALA   9          2HB       ALA   9 -14.596   3.631   5.704
   58   3HB   ALA   9          3HB       ALA   9 -14.019   5.244   5.282
   59    H    LEU  10           H        LEU  10 -11.776   3.917   4.607
   60    HA   LEU  10           HA       LEU  10 -10.678   6.222   3.456
   61   1HB   LEU  10          2HB       LEU  10  -9.349   3.695   4.437
   62   2HB   LEU  10          3HB       LEU  10  -8.478   5.151   3.998
   63    HG   LEU  10           HG       LEU  10 -10.505   4.945   6.228
   64   1HD1  LEU  10          1HD1      LEU  10  -7.690   4.318   6.088
   65   2HD1  LEU  10          2HD1      LEU  10  -8.007   5.604   7.251
   66   3HD1  LEU  10          3HD1      LEU  10  -8.838   4.055   7.399
   67   1HD2  LEU  10          1HD2      LEU  10  -8.581   7.197   5.841
   68   2HD2  LEU  10          2HD2      LEU  10 -10.100   7.177   4.946
   69   3HD2  LEU  10          3HD2      LEU  10 -10.115   7.169   6.710
   70    H    GLY  11           H        GLY  11 -10.616   2.834   2.408
   71   1HA   GLY  11          1HA       GLY  11 -10.272   1.920   0.319
   72   2HA   GLY  11          2HA       GLY  11 -10.355   3.546  -0.355
   73    HA   PRO  12           HA       PRO  12  -5.894   2.688  -0.734
   74   1HB   PRO  12          2HB       PRO  12  -5.904   4.676  -2.822
   75   2HB   PRO  12          3HB       PRO  12  -5.641   2.937  -2.971
   76   1HG   PRO  12          2HG       PRO  12  -7.835   4.257  -3.962
   77   2HG   PRO  12          3HG       PRO  12  -7.813   2.537  -3.540
   78   1HD   PRO  12          2HD       PRO  12  -8.881   4.858  -1.987
   79   2HD   PRO  12          3HD       PRO  12  -9.544   3.218  -2.167
   80    H    LEU  13           H        LEU  13  -6.116   3.851   1.398
   81    HA   LEU  13           HA       LEU  13  -4.607   6.213   1.535
   82   1HB   LEU  13          2HB       LEU  13  -6.449   7.448   0.734
   83   2HB   LEU  13          3HB       LEU  13  -7.601   6.487   1.635
   84    HG   LEU  13           HG       LEU  13  -6.664   7.523   3.738
   85   1HD1  LEU  13          1HD1      LEU  13  -4.809   8.720   3.587
   86   2HD1  LEU  13          2HD1      LEU  13  -4.874   8.708   1.824
   87   3HD1  LEU  13          3HD1      LEU  13  -5.740   9.949   2.730
   88   1HD2  LEU  13          1HD2      LEU  13  -7.793   9.785   3.199
   89   2HD2  LEU  13          2HD2      LEU  13  -8.151   9.047   1.638
   90   3HD2  LEU  13          3HD2      LEU  13  -8.752   8.308   3.122
   91    HA   PRO  14           HA       PRO  14  -4.974   3.645   5.393
   92   1HB   PRO  14          2HB       PRO  14  -2.096   4.159   5.599
   93   2HB   PRO  14          3HB       PRO  14  -2.960   2.621   5.562
   94   1HG   PRO  14          2HG       PRO  14  -1.438   3.470   3.506
   95   2HG   PRO  14          3HG       PRO  14  -2.891   2.483   3.273
   96   1HD   PRO  14          2HD       PRO  14  -2.520   5.429   2.909
   97   2HD   PRO  14          3HD       PRO  14  -3.441   4.276   1.919
   98    H    ASP  15           H        ASP  15  -5.534   6.457   5.150
   99    HA   ASP  15           HA       ASP  15  -5.751   8.336   6.380
  100   1HB   ASP  15          2HB       ASP  15  -6.601   6.526   7.922
  101   2HB   ASP  15          3HB       ASP  15  -5.043   6.591   8.740
  102    H    GLY  16           H        GLY  16  -3.299   8.294   5.198
  103   1HA   GLY  16          1HA       GLY  16  -1.900  10.277   6.542
  104   2HA   GLY  16          2HA       GLY  16  -1.142   8.749   6.991
  105    H    TRP  17           H        TRP  17  -1.479   7.342   4.689
  106    HA   TRP  17           HA       TRP  17   0.043   8.833   2.673
  107   1HB   TRP  17          2HB       TRP  17   1.508   7.127   3.117
  108   2HB   TRP  17          3HB       TRP  17   0.251   6.078   3.757
  109    HD1  TRP  17           HD1      TRP  17  -0.682   4.261   2.220
  110    HE1  TRP  17           HE1      TRP  17  -0.242   3.562  -0.197
  111    HE3  TRP  17           HE3      TRP  17   2.146   8.231   0.682
  112    HZ2  TRP  17           HZ2      TRP  17   1.153   4.505  -2.435
  113    HZ3  TRP  17           HZ3      TRP  17   3.054   8.207  -1.568
  114    HH2  TRP  17           HH2      TRP  17   2.537   6.410  -3.106
  115    H    GLU  18           H        GLU  18  -0.626   8.316   0.443
  116    HA   GLU  18           HA       GLU  18  -3.208   7.003   0.129
  117   1HB   GLU  18          2HB       GLU  18  -3.792   9.263   0.899
  118   2HB   GLU  18          3HB       GLU  18  -2.856   9.953  -0.420
  119   1HG   GLU  18          2HG       GLU  18  -4.373   8.755  -2.005
  120   2HG   GLU  18          3HG       GLU  18  -5.372   8.324  -0.617
  121    H    LYS  19           H        LYS  19  -2.899   5.773  -1.572
  122    HA   LYS  19           HA       LYS  19  -1.452   6.861  -3.874
  123   1HB   LYS  19          2HB       LYS  19  -1.343   4.564  -4.688
  124   2HB   LYS  19          3HB       LYS  19  -0.692   4.664  -3.062
  125   1HG   LYS  19          2HG       LYS  19  -2.909   3.837  -2.221
  126   2HG   LYS  19          3HG       LYS  19  -3.355   3.548  -3.907
  127   1HD   LYS  19          2HD       LYS  19  -1.241   2.155  -4.077
  128   2HD   LYS  19          3HD       LYS  19  -1.146   2.260  -2.320
  129   1HE   LYS  19          2HE       LYS  19  -2.237   0.235  -2.710
  130   2HE   LYS  19          3HE       LYS  19  -3.540   1.356  -2.324
  131   1HZ   LYS  19          1HZ       LYS  19  -4.317   0.247  -4.178
  132   2HZ   LYS  19          2HZ       LYS  19  -2.803   0.205  -4.938
  133   3HZ   LYS  19          3HZ       LYS  19  -3.671   1.660  -4.860
  134    H    LYS  20           H        LYS  20  -2.692   7.759  -5.412
  135    HA   LYS  20           HA       LYS  20  -5.441   6.695  -5.695
  136   1HB   LYS  20          2HB       LYS  20  -5.201   8.990  -4.583
  137   2HB   LYS  20          3HB       LYS  20  -4.711   9.579  -6.165
  138   1HG   LYS  20          2HG       LYS  20  -6.849   8.846  -7.099
  139   2HG   LYS  20          3HG       LYS  20  -7.338   8.268  -5.506
  140   1HD   LYS  20          2HD       LYS  20  -6.739  11.119  -6.290
  141   2HD   LYS  20          3HD       LYS  20  -8.323  10.438  -5.916
  142   1HE   LYS  20          2HE       LYS  20  -6.005  10.695  -3.996
  143   2HE   LYS  20          3HE       LYS  20  -7.428  11.731  -4.038
  144   1HZ   LYS  20          1HZ       LYS  20  -7.497   9.972  -2.316
  145   2HZ   LYS  20          2HZ       LYS  20  -7.521   8.800  -3.540
  146   3HZ   LYS  20          3HZ       LYS  20  -8.806   9.906  -3.398
  147    H    ILE  21           H        ILE  21  -5.651   5.717  -7.592
  148    HA   ILE  21           HA       ILE  21  -3.873   6.313  -9.730
  149    HB   ILE  21           HB       ILE  21  -4.501   4.023  -9.255
  150   1HG1  ILE  21          2HG1      ILE  21  -5.570   4.907 -11.944
  151   2HG1  ILE  21          3HG1      ILE  21  -3.874   4.626 -11.562
  152   1HG2  ILE  21          1HG2      ILE  21  -6.803   4.486  -8.470
  153   2HG2  ILE  21          2HG2      ILE  21  -7.294   4.717 -10.149
  154   3HG2  ILE  21          3HG2      ILE  21  -6.708   3.142  -9.608
  155   1HD1  ILE  21          1HD1      ILE  21  -5.075   2.271 -10.822
  156   2HD1  ILE  21          2HD1      ILE  21  -5.961   2.745 -12.272
  157   3HD1  ILE  21          3HD1      ILE  21  -4.206   2.570 -12.328
  158    H    GLN  22           H        GLN  22  -4.136   7.443 -11.488
  159    HA   GLN  22           HA       GLN  22  -6.627   8.866 -12.025
  160   1HB   GLN  22          2HB       GLN  22  -4.564  10.147 -12.139
  161   2HB   GLN  22          3HB       GLN  22  -3.855   8.980 -13.240
  162   1HG   GLN  22          2HG       GLN  22  -5.597   9.614 -14.911
  163   2HG   GLN  22          3HG       GLN  22  -6.094  10.900 -13.813
  164   1HE2  GLN  22          1HE2      GLN  22  -2.908  10.601 -13.300
  165   2HE2  GLN  22          2HE2      GLN  22  -2.293  11.751 -14.433
  166    H    SER  23           H        SER  23  -7.631   8.698 -14.149
  167    HA   SER  23           HA       SER  23  -8.233   6.149 -14.917
  168   1HB   SER  23          2HB       SER  23  -8.976   7.297 -17.132
  169   2HB   SER  23          3HB       SER  23  -9.733   7.778 -15.613
  170    HG   SER  23           HG       SER  23  -8.495   9.328 -17.333
  171    H    ASP  24           H        ASP  24  -5.620   8.126 -16.215
  172    HA   ASP  24           HA       ASP  24  -4.979   6.446 -18.424
  173   1HB   ASP  24          2HB       ASP  24  -4.288   8.796 -18.327
  174   2HB   ASP  24          3HB       ASP  24  -3.272   8.453 -16.931
  175    H    ASN  25           H        ASN  25  -4.828   5.842 -15.267
  176    HA   ASN  25           HA       ASN  25  -4.065   4.051 -14.057
  177   1HB   ASN  25          2HB       ASN  25  -3.881   2.983 -16.444
  178   2HB   ASN  25          3HB       ASN  25  -2.155   3.242 -16.231
  179   1HD2  ASN  25          1HD2      ASN  25  -4.577   1.079 -15.890
  180   2HD2  ASN  25          2HD2      ASN  25  -3.875   0.040 -14.689
  181    H    ARG  26           H        ARG  26  -3.083   6.541 -13.760
  182    HA   ARG  26           HA       ARG  26  -0.234   6.161 -13.164
  183   1HB   ARG  26          2HB       ARG  26  -1.683   8.804 -13.445
  184   2HB   ARG  26          3HB       ARG  26   0.039   8.572 -13.173
  185   1HG   ARG  26          2HG       ARG  26  -1.444   7.686 -15.639
  186   2HG   ARG  26          3HG       ARG  26  -0.498   9.170 -15.500
  187   1HD   ARG  26          2HD       ARG  26   1.518   7.991 -15.268
  188   2HD   ARG  26          3HD       ARG  26   0.689   6.476 -14.916
  189    HE   ARG  26           HE       ARG  26  -0.116   7.154 -17.453
  190   1HH1  ARG  26          2HH1      ARG  26   3.013   6.802 -15.929
  191   2HH1  ARG  26          1HH1      ARG  26   3.735   6.008 -17.298
  192   1HH2  ARG  26          2HH2      ARG  26   0.824   6.089 -19.258
  193   2HH2  ARG  26          1HH2      ARG  26   2.495   5.616 -19.189
  194    H    VAL  27           H        VAL  27  -0.006   5.680 -11.031
  195    HA   VAL  27           HA       VAL  27  -2.154   6.481  -9.217
  196    HB   VAL  27           HB       VAL  27   0.262   4.760  -8.646
  197   1HG1  VAL  27          1HG1      VAL  27  -2.208   4.571  -7.038
  198   2HG1  VAL  27          2HG1      VAL  27  -0.520   4.420  -6.551
  199   3HG1  VAL  27          3HG1      VAL  27  -1.224   6.017  -6.812
  200   1HG2  VAL  27          1HG2      VAL  27  -1.295   2.857  -8.796
  201   2HG2  VAL  27          2HG2      VAL  27  -2.565   3.956  -9.330
  202   3HG2  VAL  27          3HG2      VAL  27  -1.136   3.708 -10.333
  203    H    TYR  28           H        TYR  28  -1.942   8.120  -7.771
  204    HA   TYR  28           HA       TYR  28   0.651   9.471  -7.760
  205   1HB   TYR  28          2HB       TYR  28  -2.084  10.344  -6.819
  206   2HB   TYR  28          3HB       TYR  28  -0.623  11.274  -6.506
  207    HD1  TYR  28           HD1      TYR  28  -0.302  13.061  -7.897
  208    HD2  TYR  28           HD2      TYR  28  -2.218   9.599  -9.456
  209    HE1  TYR  28           HE1      TYR  28  -0.546  14.181 -10.069
  210    HE2  TYR  28           HE2      TYR  28  -2.462  10.706 -11.633
  211    HH   TYR  28           HH       TYR  28  -0.809  13.491 -12.478
  212    H    PHE  29           H        PHE  29   1.643  10.063  -5.804
  213    HA   PHE  29           HA       PHE  29   0.952   8.329  -3.525
  214   1HB   PHE  29          2HB       PHE  29   3.542   9.867  -3.818
  215   2HB   PHE  29          3HB       PHE  29   3.200   8.545  -2.729
  216    HD1  PHE  29           HD1      PHE  29   2.256   8.210  -6.188
  217    HD2  PHE  29           HD2      PHE  29   5.361   7.540  -3.383
  218    HE1  PHE  29           HE1      PHE  29   3.220   6.514  -7.675
  219    HE2  PHE  29           HE2      PHE  29   6.335   5.855  -4.854
  220    HZ   PHE  29           HZ       PHE  29   5.764   5.833  -7.143
  221    H    VAL  30           H        VAL  30   0.552   9.358  -1.534
  222    HA   VAL  30           HA       VAL  30   1.293  12.124  -1.296
  223    HB   VAL  30           HB       VAL  30  -1.631  11.345  -0.946
  224   1HG1  VAL  30          1HG1      VAL  30  -2.046  13.353   0.048
  225   2HG1  VAL  30          2HG1      VAL  30  -0.407  13.071   0.634
  226   3HG1  VAL  30          3HG1      VAL  30  -0.681  14.150  -0.734
  227   1HG2  VAL  30          1HG2      VAL  30  -1.210  13.618  -2.639
  228   2HG2  VAL  30          2HG2      VAL  30  -0.297  12.240  -3.252
  229   3HG2  VAL  30          3HG2      VAL  30  -2.036  12.102  -2.994
  230    H    ASN  31           H        ASN  31   2.526  11.680   0.473
  231    HA   ASN  31           HA       ASN  31   1.217  10.327   2.742
  232   1HB   ASN  31          2HB       ASN  31   3.122   8.989   1.828
  233   2HB   ASN  31          3HB       ASN  31   4.188  10.355   2.141
  234   1HD2  ASN  31          1HD2      ASN  31   5.434   9.811   3.772
  235   2HD2  ASN  31          2HD2      ASN  31   4.909   9.102   5.260
  236    H    HIS  32           H        HIS  32   1.003  11.720   4.576
  237    HA   HIS  32           HA       HIS  32   2.257  14.309   4.203
  238   1HB   HIS  32          2HB       HIS  32   0.084  13.407   6.111
  239   2HB   HIS  32          3HB       HIS  32   0.576  15.067   5.804
  240    HD1  HIS  32           HD1      HIS  32   0.132  15.874   3.215
  241    HD2  HIS  32           HD2      HIS  32  -1.959  12.538   4.559
  242    HE1  HIS  32           HE1      HIS  32  -1.828  15.622   1.654
  243    HE2  HIS  32           HE2      HIS  32  -2.968  13.492   2.378
  244    H    LYS  33           H        LYS  33   3.697  11.895   5.329
  245    HA   LYS  33           HA       LYS  33   3.964  12.290   8.131
  246   1HB   LYS  33          2HB       LYS  33   4.557  10.173   6.945
  247   2HB   LYS  33          3HB       LYS  33   5.934  10.999   6.231
  248   1HG   LYS  33          2HG       LYS  33   6.909  11.329   8.425
  249   2HG   LYS  33          3HG       LYS  33   5.502  10.577   9.182
  250   1HD   LYS  33          2HD       LYS  33   6.006   8.493   7.935
  251   2HD   LYS  33          3HD       LYS  33   7.465   9.260   7.303
  252   1HE   LYS  33          2HE       LYS  33   8.033   7.861   9.188
  253   2HE   LYS  33          3HE       LYS  33   8.278   9.554   9.611
  254   1HZ   LYS  33          1HZ       LYS  33   5.900   7.929  10.351
  255   2HZ   LYS  33          2HZ       LYS  33   6.183   9.542  10.793
  256   3HZ   LYS  33          3HZ       LYS  33   7.186   8.315  11.390
  257    H    ASN  34           H        ASN  34   6.306  12.939   5.501
  258    HA   ASN  34           HA       ASN  34   7.073  15.396   6.924
  259   1HB   ASN  34          2HB       ASN  34   8.863  13.461   5.419
  260   2HB   ASN  34          3HB       ASN  34   9.363  15.077   5.895
  261   1HD2  ASN  34          1HD2      ASN  34   7.564  14.455   8.403
  262   2HD2  ASN  34          2HD2      ASN  34   8.670  13.613   9.431
  263    H    ARG  35           H        ARG  35   5.086  14.733   4.925
  264    HA   ARG  35           HA       ARG  35   4.173  15.471   2.996
  265   1HB   ARG  35          2HB       ARG  35   6.398  17.507   3.116
  266   2HB   ARG  35          3HB       ARG  35   5.099  17.535   1.934
  267   1HG   ARG  35          2HG       ARG  35   3.493  17.664   3.860
  268   2HG   ARG  35          3HG       ARG  35   4.895  17.912   4.906
  269   1HD   ARG  35          2HD       ARG  35   5.523  19.880   3.615
  270   2HD   ARG  35          3HD       ARG  35   4.155  19.622   2.535
  271    HE   ARG  35           HE       ARG  35   3.309  19.846   5.244
  272   1HH1  ARG  35          2HH1      ARG  35   4.419  21.734   2.505
  273   2HH1  ARG  35          1HH1      ARG  35   3.579  23.179   2.993
  274   1HH2  ARG  35          2HH2      ARG  35   2.197  21.740   5.891
  275   2HH2  ARG  35          1HH2      ARG  35   2.320  23.182   4.926
  276    H    THR  36           H        THR  36   4.321  13.979   1.430
  277    HA   THR  36           HA       THR  36   6.526  14.259  -0.414
  278    HB   THR  36           HB       THR  36   6.669  11.714  -0.653
  279    HG1  THR  36           HG1      THR  36   5.644  10.527   0.745
  280   1HG2  THR  36          1HG2      THR  36   8.425  13.219   0.347
  281   2HG2  THR  36          2HG2      THR  36   8.464  11.540   0.887
  282   3HG2  THR  36          3HG2      THR  36   7.778  12.785   1.930
  283    H    THR  37           H        THR  37   5.665  14.457  -2.368
  284    HA   THR  37           HA       THR  37   3.185  13.004  -3.000
  285    HB   THR  37           HB       THR  37   3.865  15.656  -4.268
  286    HG1  THR  37           HG1      THR  37   2.694  15.156  -1.757
  287   1HG2  THR  37          1HG2      THR  37   1.279  14.135  -3.924
  288   2HG2  THR  37          2HG2      THR  37   2.215  14.277  -5.410
  289   3HG2  THR  37          3HG2      THR  37   1.444  15.702  -4.715
  290    H    GLN  38           H        GLN  38   3.135  12.179  -5.194
  291    HA   GLN  38           HA       GLN  38   5.227  12.612  -7.070
  292   1HB   GLN  38          2HB       GLN  38   6.614  11.504  -5.395
  293   2HB   GLN  38          3HB       GLN  38   5.498  10.151  -5.330
  294   1HG   GLN  38          2HG       GLN  38   6.041   9.642  -7.684
  295   2HG   GLN  38          3HG       GLN  38   7.232  10.943  -7.657
  296   1HE2  GLN  38          1HE2      GLN  38   7.252   9.751  -4.634
  297   2HE2  GLN  38          2HE2      GLN  38   8.509   8.566  -4.782
  298    H    TRP  39           H        TRP  39   4.862  11.489  -9.037
  299    HA   TRP  39           HA       TRP  39   2.369   9.944  -9.116
  300   1HB   TRP  39          2HB       TRP  39   2.437  10.278 -11.569
  301   2HB   TRP  39          3HB       TRP  39   2.387  11.787 -10.669
  302    HD1  TRP  39           HD1      TRP  39   5.187   9.567 -12.228
  303    HE1  TRP  39           HE1      TRP  39   6.910  11.134 -13.318
  304    HE3  TRP  39           HE3      TRP  39   3.059  14.054 -11.022
  305    HZ2  TRP  39           HZ2      TRP  39   7.305  13.912 -13.630
  306    HZ3  TRP  39           HZ3      TRP  39   4.172  16.120 -11.762
  307    HH2  TRP  39           HH2      TRP  39   6.250  16.050 -13.037
  308    H    GLU  40           H        GLU  40   2.210   7.975 -10.141
  309    HA   GLU  40           HA       GLU  40   3.012   6.149 -11.477
  310   1HB   GLU  40          2HB       GLU  40   5.649   6.808 -10.201
  311   2HB   GLU  40          3HB       GLU  40   5.327   5.206 -10.853
  312   1HG   GLU  40          2HG       GLU  40   4.757   6.298 -13.030
  313   2HG   GLU  40          3HG       GLU  40   5.317   7.819 -12.342
  314    H    ASP  41           H        ASP  41   4.982   4.698  -9.281
  315    HA   ASP  41           HA       ASP  41   2.847   4.097  -7.352
  316   1HB   ASP  41          2HB       ASP  41   2.801   1.765  -7.869
  317   2HB   ASP  41          3HB       ASP  41   2.607   2.627  -9.389
  318    HA   PRO  42           HA       PRO  42   6.350   4.161  -4.653
  319   1HB   PRO  42          2HB       PRO  42   4.593   2.617  -2.795
  320   2HB   PRO  42          3HB       PRO  42   5.442   4.145  -2.531
  321   1HG   PRO  42          2HG       PRO  42   2.837   4.220  -2.904
  322   2HG   PRO  42          3HG       PRO  42   3.880   5.364  -3.780
  323   1HD   PRO  42          2HD       PRO  42   2.737   2.758  -4.777
  324   2HD   PRO  42          3HD       PRO  42   2.649   4.378  -5.540
  325    H    ARG  43           H        ARG  43   6.370   1.992  -6.539
  326    HA   ARG  43           HA       ARG  43   8.416   0.456  -5.481
  327   1HB   ARG  43          2HB       ARG  43   6.277  -0.563  -4.344
  328   2HB   ARG  43          3HB       ARG  43   6.082  -1.353  -5.902
  329   1HG   ARG  43          2HG       ARG  43   7.272  -2.694  -4.147
  330   2HG   ARG  43          3HG       ARG  43   8.135  -2.514  -5.674
  331   1HD   ARG  43          2HD       ARG  43   9.537  -2.224  -3.617
  332   2HD   ARG  43          3HD       ARG  43   9.596  -0.885  -4.761
  333    HE   ARG  43           HE       ARG  43   7.617  -0.440  -2.760
  334   1HH1  ARG  43          2HH1      ARG  43  11.093  -0.516  -3.180
  335   2HH1  ARG  43          1HH1      ARG  43  11.379   0.836  -2.116
  336   1HH2  ARG  43          2HH2      ARG  43   7.985   1.347  -1.388
  337   2HH2  ARG  43          1HH2      ARG  43   9.603   1.921  -1.135
  338    H    THR  44           H        THR  44   7.062  -1.891  -7.146
  339    HA   THR  44           HA       THR  44   7.477  -0.689  -9.781
  340    HB   THR  44           HB       THR  44   9.514  -1.922  -9.240
  341    HG1  THR  44           HG1      THR  44   9.517  -2.509 -11.251
  342   1HG2  THR  44          1HG2      THR  44   8.517  -3.480  -7.592
  343   2HG2  THR  44          2HG2      THR  44   9.536  -4.290  -8.782
  344   3HG2  THR  44          3HG2      THR  44   7.780  -4.370  -8.924
  345    H    GLN  45           H        GLN  45   5.086  -0.900  -8.552
  346    HA   GLN  45           HA       GLN  45   3.706  -2.701 -10.365
  347   1HB   GLN  45          2HB       GLN  45   3.720  -3.159  -7.434
  348   2HB   GLN  45          3HB       GLN  45   2.187  -3.354  -8.272
  349   1HG   GLN  45          2HG       GLN  45   4.747  -4.777  -8.949
  350   2HG   GLN  45          3HG       GLN  45   3.385  -5.459  -8.059
  351   1HE2  GLN  45          1HE2      GLN  45   4.794  -5.191 -11.033
  352   2HE2  GLN  45          2HE2      GLN  45   3.439  -5.613 -12.023
  353    H    GLY  46           H        GLY  46   1.930  -1.841 -11.113
  354   1HA   GLY  46          1HA       GLY  46   0.741   0.450  -9.672
  355   2HA   GLY  46          2HA       GLY  46   0.962   0.476 -11.417
  356    H    GLN  47           H        GLN  47   0.255  -2.312 -11.761
  357    HA   GLN  47           HA       GLN  47  -2.636  -2.109 -11.723
  358   1HB   GLN  47          2HB       GLN  47  -0.740  -4.277 -12.644
  359   2HB   GLN  47          3HB       GLN  47  -2.490  -4.433 -12.699
  360   1HG   GLN  47          2HG       GLN  47  -0.895  -2.314 -14.126
  361   2HG   GLN  47          3HG       GLN  47  -1.513  -3.793 -14.862
  362   1HE2  GLN  47          1HE2      GLN  47  -3.318  -3.525 -15.955
  363   2HE2  GLN  47          2HE2      GLN  47  -4.561  -2.371 -15.608
  364    H    GLU  48           H        GLU  48  -0.023  -3.743 -10.088
  365    HA   GLU  48           HA       GLU  48   0.161  -4.719  -8.059
  366   1HB   GLU  48          2HB       GLU  48  -2.656  -3.717  -7.625
  367   2HB   GLU  48          3HB       GLU  48  -1.590  -4.341  -6.375
  368   1HG   GLU  48          2HG       GLU  48  -0.156  -2.480  -6.538
  369   2HG   GLU  48          3HG       GLU  48  -0.905  -1.943  -8.043
  370    H    VAL  49           H        VAL  49  -2.997  -5.454  -7.369
  371    HA   VAL  49           HA       VAL  49  -4.390  -7.247  -7.699
  372    HB   VAL  49           HB       VAL  49  -2.318  -8.211  -9.669
  373   1HG1  VAL  49          1HG1      VAL  49  -4.838  -9.570  -8.732
  374   2HG1  VAL  49          2HG1      VAL  49  -4.024  -9.971 -10.245
  375   3HG1  VAL  49          3HG1      VAL  49  -3.191 -10.199  -8.709
  376   1HG2  VAL  49          1HG2      VAL  49  -5.192  -7.503 -10.191
  377   2HG2  VAL  49          2HG2      VAL  49  -3.909  -6.293 -10.216
  378   3HG2  VAL  49          3HG2      VAL  49  -3.864  -7.647 -11.343
  379    H    SER  50           H        SER  50  -0.974  -8.291  -7.656
  380    HA   SER  50           HA       SER  50  -1.430 -10.248  -5.609
  381   1HB   SER  50          2HB       SER  50   0.559 -10.248  -7.162
  382   2HB   SER  50          3HB       SER  50   1.163  -8.836  -6.298
  383    HG   SER  50           HG       SER  50   0.473 -10.934  -4.654
  384    H    LEU  51           H        LEU  51  -0.572  -6.877  -5.819
  385    HA   LEU  51           HA       LEU  51  -0.461  -6.553  -2.927
  386   1HB   LEU  51          2HB       LEU  51  -0.269  -4.371  -5.002
  387   2HB   LEU  51          3HB       LEU  51   0.275  -4.318  -3.343
  388    HG   LEU  51           HG       LEU  51   2.230  -4.423  -4.617
  389   1HD1  LEU  51          1HD1      LEU  51   1.473  -6.919  -3.272
  390   2HD1  LEU  51          2HD1      LEU  51   2.875  -7.007  -4.339
  391   3HD1  LEU  51          3HD1      LEU  51   2.849  -5.846  -3.011
  392   1HD2  LEU  51          1HD2      LEU  51   2.620  -6.147  -6.370
  393   2HD2  LEU  51          2HD2      LEU  51   0.916  -6.583  -6.246
  394   3HD2  LEU  51          3HD2      LEU  51   1.375  -4.963  -6.769
  395    H    ILE  52           H        ILE  52  -2.965  -7.232  -4.497
  396    HA   ILE  52           HA       ILE  52  -4.510  -4.813  -4.407
  397    HB   ILE  52           HB       ILE  52  -4.773  -7.290  -5.745
  398   1HG1  ILE  52          2HG1      ILE  52  -4.952  -5.184  -6.842
  399   2HG1  ILE  52          3HG1      ILE  52  -6.549  -5.933  -6.950
  400   1HG2  ILE  52          1HG2      ILE  52  -6.289  -8.028  -3.973
  401   2HG2  ILE  52          2HG2      ILE  52  -7.250  -6.563  -4.180
  402   3HG2  ILE  52          3HG2      ILE  52  -7.161  -7.750  -5.482
  403   1HD1  ILE  52          1HD1      ILE  52  -7.487  -4.229  -5.888
  404   2HD1  ILE  52          2HD1      ILE  52  -6.330  -4.338  -4.562
  405   3HD1  ILE  52          3HD1      ILE  52  -5.940  -3.390  -5.997
  406    H    ASN  53           H        ASN  53  -4.197  -7.675  -2.395
  407    HA   ASN  53           HA       ASN  53  -6.478  -7.547  -0.827
  408   1HB   ASN  53          2HB       ASN  53  -3.667  -8.400  -0.282
  409   2HB   ASN  53          3HB       ASN  53  -4.738  -8.180   1.097
  410   1HD2  ASN  53          1HD2      ASN  53  -5.617  -9.968   1.744
  411   2HD2  ASN  53          2HD2      ASN  53  -6.116 -11.298   0.747
  412    H    GLU  54           H        GLU  54  -3.364  -6.139   0.051
  413    HA   GLU  54           HA       GLU  54  -4.343  -4.236   1.816
  414   1HB   GLU  54          2HB       GLU  54  -2.106  -3.150   1.489
  415   2HB   GLU  54          3HB       GLU  54  -2.036  -4.856   1.885
  416   1HG   GLU  54          2HG       GLU  54  -1.933  -4.021  -0.976
  417   2HG   GLU  54          3HG       GLU  54  -0.502  -3.832   0.030
  418    H    GLY  55           H        GLY  55  -6.205  -3.395   0.671
  419   1HA   GLY  55          1HA       GLY  55  -6.117  -1.989  -1.745
  420   2HA   GLY  55          2HA       GLY  55  -7.320  -1.770  -0.484
  421    HA   PRO  56           HA       PRO  56  -5.529   2.133   0.721
  422   1HB   PRO  56          2HB       PRO  56  -4.601   1.299   3.379
  423   2HB   PRO  56          3HB       PRO  56  -5.878   2.442   2.952
  424   1HG   PRO  56          2HG       PRO  56  -6.406   0.033   4.047
  425   2HG   PRO  56          3HG       PRO  56  -7.499   0.814   2.889
  426   1HD   PRO  56          2HD       PRO  56  -5.530  -1.397   2.449
  427   2HD   PRO  56          3HD       PRO  56  -7.167  -1.198   1.790
  428    H    LEU  57           H        LEU  57  -3.590  -0.284   2.313
  429    HA   LEU  57           HA       LEU  57  -1.127   0.882   2.324
  430   1HB   LEU  57          2HB       LEU  57  -1.696  -2.053   1.923
  431   2HB   LEU  57          3HB       LEU  57  -0.235  -1.358   2.604
  432    HG   LEU  57           HG       LEU  57  -2.882  -0.832   3.907
  433   1HD1  LEU  57          1HD1      LEU  57  -1.258  -3.092   4.891
  434   2HD1  LEU  57          2HD1      LEU  57  -2.999  -2.829   4.954
  435   3HD1  LEU  57          3HD1      LEU  57  -2.244  -3.370   3.456
  436   1HD2  LEU  57          1HD2      LEU  57  -1.385  -0.795   5.921
  437   2HD2  LEU  57          2HD2      LEU  57  -0.017  -0.906   4.812
  438   3HD2  LEU  57          3HD2      LEU  57  -1.099   0.484   4.740
  439    HA   PRO  58           HA       PRO  58   0.034   1.174  -1.898
  440   1HB   PRO  58          2HB       PRO  58   2.733   1.414  -1.635
  441   2HB   PRO  58          3HB       PRO  58   1.600   2.709  -1.234
  442   1HG   PRO  58          2HG       PRO  58   2.951   0.746   0.578
  443   2HG   PRO  58          3HG       PRO  58   2.704   2.489   0.801
  444   1HD   PRO  58          2HD       PRO  58   1.142   0.647   2.008
  445   2HD   PRO  58          3HD       PRO  58   0.511   2.219   1.473
  446    HA   PRO  59           HA       PRO  59   1.268  -2.789  -3.670
  447   1HB   PRO  59          2HB       PRO  59   2.752  -1.749  -5.758
  448   2HB   PRO  59          3HB       PRO  59   0.999  -1.964  -5.783
  449   1HG   PRO  59          2HG       PRO  59   2.599   0.502  -5.209
  450   2HG   PRO  59          3HG       PRO  59   1.123   0.322  -6.177
  451   1HD   PRO  59          2HD       PRO  59   1.020   1.298  -3.699
  452   2HD   PRO  59          3HD       PRO  59  -0.242   0.200  -4.297
  453    H    GLY  60           H        GLY  60   3.410  -0.134  -3.042
  454   1HA   GLY  60          1HA       GLY  60   5.893  -1.049  -3.402
  455   2HA   GLY  60          2HA       GLY  60   5.486   0.022  -2.076
  456    H    TRP  61           H        TRP  61   3.830  -2.030  -0.823
  457    HA   TRP  61           HA       TRP  61   5.940  -3.932  -0.136
  458   1HB   TRP  61          2HB       TRP  61   5.525  -4.010   2.188
  459   2HB   TRP  61          3HB       TRP  61   5.792  -2.336   1.744
  460    HD1  TRP  61           HD1      TRP  61   3.748  -0.649   2.045
  461    HE1  TRP  61           HE1      TRP  61   1.619  -0.876   3.585
  462    HE3  TRP  61           HE3      TRP  61   3.850  -5.662   2.969
  463    HZ2  TRP  61           HZ2      TRP  61   0.162  -2.878   4.801
  464    HZ3  TRP  61           HZ3      TRP  61   2.044  -6.656   4.321
  465    HH2  TRP  61           HH2      TRP  61   0.249  -5.292   5.225
  466    H    GLU  62           H        GLU  62   5.031  -5.975   0.942
  467    HA   GLU  62           HA       GLU  62   2.623  -6.721  -0.593
  468   1HB   GLU  62          2HB       GLU  62   3.752  -8.775  -1.226
  469   2HB   GLU  62          3HB       GLU  62   4.752  -7.401  -1.671
  470   1HG   GLU  62          2HG       GLU  62   6.082  -7.775   0.383
  471   2HG   GLU  62          3HG       GLU  62   5.134  -9.230   0.682
  472    H    ILE  63           H        ILE  63   1.453  -8.589   0.131
  473    HA   ILE  63           HA       ILE  63   1.861  -9.148   2.979
  474    HB   ILE  63           HB       ILE  63  -0.298 -10.005   3.229
  475   1HG1  ILE  63          2HG1      ILE  63  -0.329 -11.256   1.014
  476   2HG1  ILE  63          3HG1      ILE  63  -1.859 -10.574   1.551
  477   1HG2  ILE  63          1HG2      ILE  63  -0.029  -7.504   2.953
  478   2HG2  ILE  63          2HG2      ILE  63  -0.786  -7.703   1.373
  479   3HG2  ILE  63          3HG2      ILE  63  -1.665  -8.154   2.834
  480   1HD1  ILE  63          1HD1      ILE  63  -1.730  -8.834  -0.043
  481   2HD1  ILE  63          2HD1      ILE  63  -0.060  -9.238  -0.442
  482   3HD1  ILE  63          3HD1      ILE  63  -1.362 -10.344  -0.879
  483    H    ARG  64           H        ARG  64   2.739 -10.962   3.579
  484    HA   ARG  64           HA       ARG  64   3.299 -12.983   1.506
  485   1HB   ARG  64          2HB       ARG  64   5.231 -12.135   2.784
  486   2HB   ARG  64          3HB       ARG  64   4.468 -12.661   4.277
  487   1HG   ARG  64          2HG       ARG  64   4.532 -14.995   3.393
  488   2HG   ARG  64          3HG       ARG  64   5.486 -14.385   2.037
  489   1HD   ARG  64          2HD       ARG  64   7.149 -13.525   3.644
  490   2HD   ARG  64          3HD       ARG  64   6.215 -14.237   4.959
  491    HE   ARG  64           HE       ARG  64   6.864 -16.177   2.986
  492   1HH1  ARG  64          2HH1      ARG  64   8.118 -14.444   5.749
  493   2HH1  ARG  64          1HH1      ARG  64   9.401 -15.577   6.046
  494   1HH2  ARG  64          2HH2      ARG  64   8.523 -17.686   3.363
  495   2HH2  ARG  64          1HH2      ARG  64   9.634 -17.439   4.682
  496    H    TYR  65           H        TYR  65   1.870 -14.608   1.423
  497    HA   TYR  65           HA       TYR  65   0.080 -15.044   3.591
  498   1HB   TYR  65          2HB       TYR  65  -0.639 -17.040   2.057
  499   2HB   TYR  65          3HB       TYR  65  -0.993 -15.385   1.588
  500    HD1  TYR  65           HD1      TYR  65   1.575 -18.039   1.121
  501    HD2  TYR  65           HD2      TYR  65  -0.408 -14.677  -0.563
  502    HE1  TYR  65           HE1      TYR  65   2.753 -18.417  -1.002
  503    HE2  TYR  65           HE2      TYR  65   0.757 -15.046  -2.695
  504    HH   TYR  65           HH       TYR  65   2.757 -16.102  -3.538
  505    H    THR  66           H        THR  66   0.575 -16.090   5.372
  506    HA   THR  66           HA       THR  66   2.527 -18.273   5.244
  507    HB   THR  66           HB       THR  66   1.171 -17.113   7.690
  508    HG1  THR  66           HG1      THR  66   2.659 -15.739   6.302
  509   1HG2  THR  66          1HG2      THR  66   2.971 -18.180   8.924
  510   2HG2  THR  66          2HG2      THR  66   3.670 -18.788   7.422
  511   3HG2  THR  66          3HG2      THR  66   2.103 -19.384   7.971
  512    H    ALA  67           H        ALA  67   1.998 -20.332   5.495
  513    HA   ALA  67           HA       ALA  67  -0.142 -21.313   4.401
  514   1HB   ALA  67          1HB       ALA  67   1.597 -22.798   4.801
  515   2HB   ALA  67          2HB       ALA  67   1.485 -22.605   6.550
  516   3HB   ALA  67          3HB       ALA  67   0.228 -23.481   5.675
  517    H    ALA  68           H        ALA  68  -0.185 -20.558   7.857
  518    HA   ALA  68           HA       ALA  68  -2.640 -21.869   8.393
  519   1HB   ALA  68          1HB       ALA  68  -2.315 -21.204  10.505
  520   2HB   ALA  68          2HB       ALA  68  -0.743 -20.651   9.925
  521   3HB   ALA  68          3HB       ALA  68  -2.089 -19.516  10.040
  522    H    GLY  69           H        GLY  69  -1.974 -19.143   6.573
  523   1HA   GLY  69          1HA       GLY  69  -3.677 -18.257   5.189
  524   2HA   GLY  69          2HA       GLY  69  -4.840 -18.537   6.474
  525    H    GLU  70           H        GLU  70  -1.840 -17.037   7.335
  526    HA   GLU  70           HA       GLU  70  -3.315 -14.518   7.666
  527   1HB   GLU  70          2HB       GLU  70  -0.938 -15.676   9.078
  528   2HB   GLU  70          3HB       GLU  70  -1.221 -13.941   9.096
  529   1HG   GLU  70          2HG       GLU  70  -2.170 -14.762  11.072
  530   2HG   GLU  70          3HG       GLU  70  -3.526 -14.455   9.989
  531    H    ARG  71           H        ARG  71  -2.782 -12.736   6.587
  532    HA   ARG  71           HA       ARG  71  -0.629 -12.898   4.641
  533   1HB   ARG  71          2HB       ARG  71  -2.387 -10.503   5.165
  534   2HB   ARG  71          3HB       ARG  71  -1.537 -10.923   3.686
  535   1HG   ARG  71          2HG       ARG  71  -3.834 -12.503   4.817
  536   2HG   ARG  71          3HG       ARG  71  -3.997 -11.246   3.592
  537   1HD   ARG  71          2HD       ARG  71  -2.905 -12.506   1.975
  538   2HD   ARG  71          3HD       ARG  71  -2.111 -13.531   3.173
  539    HE   ARG  71           HE       ARG  71  -4.776 -14.024   3.515
  540   1HH1  ARG  71          2HH1      ARG  71  -2.686 -14.140   0.694
  541   2HH1  ARG  71          1HH1      ARG  71  -3.474 -15.545   0.033
  542   1HH2  ARG  71          2HH2      ARG  71  -5.807 -15.818   2.638
  543   2HH2  ARG  71          1HH2      ARG  71  -5.245 -16.501   1.140
  544    H    PHE  72           H        PHE  72   1.330 -12.621   5.531
  545    HA   PHE  72           HA       PHE  72   1.744 -10.797   7.742
  546   1HB   PHE  72          2HB       PHE  72   3.576 -12.631   6.205
  547   2HB   PHE  72          3HB       PHE  72   4.196 -11.454   7.357
  548    HD1  PHE  72           HD1      PHE  72   1.098 -13.449   7.649
  549    HD2  PHE  72           HD2      PHE  72   5.080 -12.852   9.019
  550    HE1  PHE  72           HE1      PHE  72   0.702 -15.037   9.484
  551    HE2  PHE  72           HE2      PHE  72   4.692 -14.438  10.855
  552    HZ   PHE  72           HZ       PHE  72   2.556 -15.569  11.066
  553    H    PHE  73           H        PHE  73   3.602  -9.238   7.547
  554    HA   PHE  73           HA       PHE  73   3.138  -7.664   5.132
  555   1HB   PHE  73          2HB       PHE  73   2.748  -6.184   6.791
  556   2HB   PHE  73          3HB       PHE  73   3.616  -7.142   7.977
  557    HD1  PHE  73           HD1      PHE  73   4.286  -4.966   5.041
  558    HD2  PHE  73           HD2      PHE  73   5.509  -6.235   8.905
  559    HE1  PHE  73           HE1      PHE  73   6.152  -3.367   4.968
  560    HE2  PHE  73           HE2      PHE  73   7.377  -4.638   8.841
  561    HZ   PHE  73           HZ       PHE  73   7.559  -3.047   7.043
  562    H    VAL  74           H        VAL  74   4.687  -7.397   3.627
  563    HA   VAL  74           HA       VAL  74   7.485  -7.723   4.433
  564    HB   VAL  74           HB       VAL  74   6.327  -8.750   1.827
  565   1HG1  VAL  74          1HG1      VAL  74   8.619  -7.855   1.666
  566   2HG1  VAL  74          2HG1      VAL  74   9.126  -8.979   2.927
  567   3HG1  VAL  74          3HG1      VAL  74   8.550  -9.593   1.378
  568   1HG2  VAL  74          1HG2      VAL  74   7.637 -10.756   3.390
  569   2HG2  VAL  74          2HG2      VAL  74   6.370  -9.991   4.350
  570   3HG2  VAL  74          3HG2      VAL  74   5.979 -10.719   2.791
  571    H    ASP  75           H        ASP  75   8.159  -5.701   4.280
  572    HA   ASP  75           HA       ASP  75   7.455  -4.154   1.891
  573   1HB   ASP  75          2HB       ASP  75   7.646  -2.196   3.028
  574   2HB   ASP  75          3HB       ASP  75   7.285  -3.224   4.404
  575    H    HIS  76           H        HIS  76   9.053  -3.269   0.616
  576    HA   HIS  76           HA       HIS  76  11.789  -3.995   1.296
  577   1HB   HIS  76          2HB       HIS  76  12.140  -4.152  -1.318
  578   2HB   HIS  76          3HB       HIS  76  11.676  -5.555  -0.370
  579    HD1  HIS  76           HD1      HIS  76   8.858  -5.816  -0.334
  580    HD2  HIS  76           HD2      HIS  76  10.698  -3.991  -3.575
  581    HE1  HIS  76           HE1      HIS  76   7.218  -5.996  -2.221
  582    HE2  HIS  76           HE2      HIS  76   8.482  -5.162  -4.234
  583    H    ASN  77           H        ASN  77  10.786  -1.802   2.033
  584    HA   ASN  77           HA       ASN  77  12.039   0.204   0.278
  585   1HB   ASN  77          2HB       ASN  77  10.689   1.978   1.250
  586   2HB   ASN  77          3HB       ASN  77   9.640   0.760   0.540
  587   1HD2  ASN  77          1HD2      ASN  77   8.163  -0.214   1.780
  588   2HD2  ASN  77          2HD2      ASN  77   7.947   0.076   3.469
  589    H    THR  78           H        THR  78  11.589  -1.214   3.395
  590    HA   THR  78           HA       THR  78  14.128  -0.011   4.280
  591    HB   THR  78           HB       THR  78  11.887  -0.721   6.186
  592    HG1  THR  78           HG1      THR  78  11.310   1.059   4.769
  593   1HG2  THR  78          1HG2      THR  78  13.167   0.226   7.860
  594   2HG2  THR  78          2HG2      THR  78  14.092   1.222   6.735
  595   3HG2  THR  78          3HG2      THR  78  14.412  -0.510   6.848
  596    H    ARG  79           H        ARG  79  12.432  -2.681   3.389
  597    HA   ARG  79           HA       ARG  79  12.716  -4.917   3.459
  598   1HB   ARG  79          2HB       ARG  79  15.147  -4.227   3.062
  599   2HB   ARG  79          3HB       ARG  79  15.390  -4.494   4.785
  600   1HG   ARG  79          2HG       ARG  79  16.057  -6.440   3.482
  601   2HG   ARG  79          3HG       ARG  79  14.692  -6.817   4.537
  602   1HD   ARG  79          2HD       ARG  79  14.340  -7.789   2.344
  603   2HD   ARG  79          3HD       ARG  79  13.164  -6.508   2.635
  604    HE   ARG  79           HE       ARG  79  14.165  -5.216   0.995
  605   1HH1  ARG  79          2HH1      ARG  79  15.994  -8.172   1.506
  606   2HH1  ARG  79          1HH1      ARG  79  17.041  -7.902   0.138
  607   1HH2  ARG  79          2HH2      ARG  79  15.507  -4.888  -0.816
  608   2HH2  ARG  79          1HH2      ARG  79  16.752  -6.048  -1.186
  609    H    ARG  80           H        ARG  80  11.082  -5.319   4.891
  610    HA   ARG  80           HA       ARG  80  11.848  -6.172   7.545
  611   1HB   ARG  80          2HB       ARG  80  11.480  -3.722   7.749
  612   2HB   ARG  80          3HB       ARG  80   9.859  -3.932   7.106
  613   1HG   ARG  80          2HG       ARG  80   9.316  -5.360   9.051
  614   2HG   ARG  80          3HG       ARG  80  10.919  -5.010   9.708
  615   1HD   ARG  80          2HD       ARG  80  10.348  -2.581   9.603
  616   2HD   ARG  80          3HD       ARG  80   8.710  -3.040   9.141
  617    HE   ARG  80           HE       ARG  80   8.268  -3.460  11.330
  618   1HH1  ARG  80          2HH1      ARG  80  11.748  -3.610  10.879
  619   2HH1  ARG  80          1HH1      ARG  80  12.089  -3.831  12.568
  620   1HH2  ARG  80          2HH2      ARG  80   8.707  -3.753  13.553
  621   2HH2  ARG  80          1HH2      ARG  80  10.354  -3.905  14.098
  622    H    THR  81           H        THR  81  10.661  -7.873   8.083
  623    HA   THR  81           HA       THR  81   8.041  -8.164   6.787
  624    HB   THR  81           HB       THR  81   8.348 -10.586   6.737
  625    HG1  THR  81           HG1      THR  81  10.822 -11.098   6.989
  626   1HG2  THR  81          1HG2      THR  81   8.948  -9.976   4.658
  627   2HG2  THR  81          2HG2      THR  81  10.567 -10.431   5.192
  628   3HG2  THR  81          3HG2      THR  81  10.064  -8.740   5.239
  629    H    THR  82           H        THR  82   6.390  -8.894   8.120
  630    HA   THR  82           HA       THR  82   6.825  -9.612  10.895
  631    HB   THR  82           HB       THR  82   5.550  -6.932  10.255
  632    HG1  THR  82           HG1      THR  82   8.154  -7.538  10.465
  633   1HG2  THR  82          1HG2      THR  82   6.440  -7.983  12.931
  634   2HG2  THR  82          2HG2      THR  82   4.799  -8.186  12.316
  635   3HG2  THR  82          3HG2      THR  82   5.444  -6.569  12.593
  636    H    PHE  83           H        PHE  83   4.835 -10.222  11.935
  637    HA   PHE  83           HA       PHE  83   2.765 -11.202  10.273
  638   1HB   PHE  83          2HB       PHE  83   3.140 -12.193  12.440
  639   2HB   PHE  83          3HB       PHE  83   2.886 -10.652  13.248
  640    HD1  PHE  83           HD1      PHE  83   0.913 -12.511  10.677
  641    HD2  PHE  83           HD2      PHE  83   1.025 -10.785  14.562
  642    HE1  PHE  83           HE1      PHE  83  -1.460 -13.067  10.987
  643    HE2  PHE  83           HE2      PHE  83  -1.352 -11.340  14.879
  644    HZ   PHE  83           HZ       PHE  83  -2.598 -12.482  13.090
  645    H    GLU  84           H        GLU  84   3.022  -8.331  12.311
  646    HA   GLU  84           HA       GLU  84   0.742  -7.144  10.866
  647   1HB   GLU  84          2HB       GLU  84   1.700  -6.568  13.678
  648   2HB   GLU  84          3HB       GLU  84   0.408  -5.703  12.859
  649   1HG   GLU  84          2HG       GLU  84  -0.915  -7.734  12.751
  650   2HG   GLU  84          3HG       GLU  84   0.390  -8.642  13.511
  651    H    ASP  85           H        ASP  85   1.621  -4.654  12.439
  652    HA   ASP  85           HA       ASP  85   3.342  -3.112  12.539
  653   1HB   ASP  85          2HB       ASP  85   5.017  -4.605  11.513
  654   2HB   ASP  85          3HB       ASP  85   4.406  -4.175   9.921
  655    HA   PRO  86           HA       PRO  86   1.997  -0.570   8.747
  656   1HB   PRO  86          2HB       PRO  86   0.564  -2.342   6.898
  657   2HB   PRO  86          3HB       PRO  86   1.866  -1.196   6.571
  658   1HG   PRO  86          2HG       PRO  86   2.245  -3.859   6.469
  659   2HG   PRO  86          3HG       PRO  86   3.517  -2.744   7.001
  660   1HD   PRO  86          2HD       PRO  86   1.697  -4.469   8.646
  661   2HD   PRO  86          3HD       PRO  86   3.429  -4.142   8.856
  662    H    ARG  87           H        ARG  87  -0.658  -2.316   7.508
  663    HA   ARG  87           HA       ARG  87  -2.542  -0.644   8.745
  664   1HB   ARG  87          2HB       ARG  87  -3.088  -1.576   6.629
  665   2HB   ARG  87          3HB       ARG  87  -2.863  -3.218   7.214
  666   1HG   ARG  87          2HG       ARG  87  -4.852  -3.138   8.488
  667   2HG   ARG  87          3HG       ARG  87  -5.002  -1.393   8.272
  668   1HD   ARG  87          2HD       ARG  87  -6.569  -2.659   6.859
  669   2HD   ARG  87          3HD       ARG  87  -5.448  -1.684   5.916
  670    HE   ARG  87           HE       ARG  87  -4.298  -4.189   6.086
  671   1HH1  ARG  87          2HH1      ARG  87  -7.315  -2.860   4.884
  672   2HH1  ARG  87          1HH1      ARG  87  -7.487  -4.054   3.626
  673   1HH2  ARG  87          2HH2      ARG  87  -4.503  -5.733   4.401
  674   2HH2  ARG  87          1HH2      ARG  87  -5.905  -5.696   3.371
  675    HA   PRO  88           HA       PRO  88  -3.823  -4.449  11.501
  676   1HB   PRO  88          2HB       PRO  88  -1.271  -5.933  11.713
  677   2HB   PRO  88          3HB       PRO  88  -2.916  -6.545  11.516
  678   1HG   PRO  88          2HG       PRO  88  -1.171  -6.613   9.499
  679   2HG   PRO  88          3HG       PRO  88  -2.888  -6.260   9.219
  680   1HD   PRO  88          2HD       PRO  88  -0.560  -4.380   9.332
  681   2HD   PRO  88          3HD       PRO  88  -1.945  -4.392   8.220